Energy Technology Data Exchange (ETDEWEB)

The magnetic susceptibility and high-field magnetization have been measured for the intermediate valence system Eu(Pd{sub 1{minus}x}Pt{sub x}){sub 2}Si{sub 2} with 0{le}x{le}0.15. A first-order valence transition is observed for all the compounds under high field of 100 T at low temperatures. This valence transition is of first order accompanied with a large hysteresis, which is in contrast to a continuous valence change against temperature. Based on the interconfigurational fluctuation (ICF) model, the temperature- and field-induced valence transitions are discussed. It is found that a first-order valence transition can be induced by magnetic field, even if the system shows a continuous valence transition against temperature. Metamagnetic behavior at finite temperatures is also understood qualitatively by the ICF ...

International Nuclear Information System (INIS)

Intraionic spin-orbit--split multiplet levels have been observed by electronic Raman scattering in the intermediate-valence compound EuPd_2Si_2. From the temperature dependence of the Raman peak positions and widths the interconfigurational excitation energy E/sub x/ and an upper limit of the interconfigurational mixing width T/sub f/, respectively, have been obtained. This is the first spectroscopic support for the underlying assumptions of the ionic interconfigurational fluctuation model that has been proposed to describe intermediate valence.

International Nuclear Information System (INIS)

A new analysis is developed for long secondary photocurrent transients which gives the distribution of trapped holes in valence band tail states. Thermally assisted tunneling to dangling bonds is implicated as the rate limiting step in hole-recombination. Light-soaking causes the energetically deeper hole traps with the longer residence times to be lost first and in the same number as would be expected for the increase in dangling bonds; This result supports a model which has hole trapping in valence tail states as a precursor to light induced dangling bonds.

International Nuclear Information System (INIS)

The neutron capture cross sections of the stable molybdenum isotopes have been measured with high energy resolution (#DELTA#E/E < approximately 0.2%), between 3 and 90 keV neutron energy, at the 40 m station of ORELA. Average resonance parameters are extracted for s- and p-wave resonances. The s-wave neutron strength function is close to 0.5x10"-"4 for all isotopes, but the p-wave strength function exhibits a well defined peak near A approximately 95. Both s- and p-wave radiative widths decrease markedly as further neutrons are added to the closed shell. The p-wave radiative widths are generally greater than the s-wave widths showing the presence of non-statistical #gamma#-decay mechanisms. Valence neutron theory fails to explain the magnitude of the p- to s-wave radiative width disparity and doorway state processes are invoked. In particular, the data for "9"8Mo appear to violate the usual valence theory, since the correlations between ...

International Nuclear Information System (INIS)

Quark models of cumulative particle production and EMS effect are analyzed. All the models are characterized by a universal relationship between the spectrum of cumulative nucleons and the cross section of cumulative particles containing valence nuclear quarks. This relationship is tested for a deuteron. The role is discussed played by secondary nuclear processes for heavy nuclei. A special role of ''sea'' cumulative particles (K"-, p-bar) is pointed out in understanding the nature of the difference between the structure functions of a nucleus and of free nucleon.

Energy Technology Data Exchange (ETDEWEB)

In recent years sufficient new spectra of actinides in their numerous valence states have been measured to encourage a broader scale analysis effort than was attempted in the past. Theoretical modelling in terms of effective operators has also undergone development. Well established electronic structure parameters for the trivalent actinides are being used as a basis for estimating parameters in other valence states and relationships to atomic spectra are being extended. Recent contributions to our understanding of the spectra of 4+ actinides have been particularly revealing and supportive of a developing general effort to progress beyond a preoccupation with modelling structure to consideration of the much broader area of structure-bonding relationships. We summarize here both the developments in modelling electronic structure and the interpretation of apparent trends in bonding. ...

UK PubMed Central (United Kingdom)

Stress exposure increases the risk of addictive drug use in human and animal models of drug addiction by mechanisms that are not completely understood. Mice subjected to repeated forced swim stress...Full Text Available

Science.gov (United States)

We calculate the electromagnetic form factors of a bound proton. The chiral quark-soliton model provides the quark and antiquark substructure of the proton, which is embedded in nuclear matter. This procedure yields significant modifications of the form factors in the nuclear environment. The sea quarks are almost completely unaffected, and serve to mitigate the valence quark effect. In particular, the ratio of the isoscalar electric to the isovector magnetic form factor decreases by 20% at Q{sup 2}=1 GeV{sup 2} at nuclear density, and we do not see a strong enhancement of the magnetic moment.

Energy Technology Data Exchange (ETDEWEB)

An overview of the understanding of correlation between valence electron and the optical properties of binary (A{sup N}B{sup 8-N}) and ternary (A{sup N}B{sup 2+N}C{sub 2}{sup 7-N}) tetrahedral semiconductors is presented here. We have presented two expressions relating the dielectric constant and electronic polarizability for the transition metal chalcogenides and pnictides (A{sup II}B{sup VI} and A{sup III}B{sup V}) and chalcopyrites (A{sup I}B{sup III}C{sub 2}{sup VI} and A{sup II}B{sup IV}C{sub 2}{sup V}) with the product of valence electrons and nearest neighbour distance d (A). The dielectric constant and electronic polarizability of these solids exhibit a linear relationship when plotted on a log-log scale against the nearest neighbour distance d (A), but fall on different straight lines according to the valence electron product of the compounds. We have applied the proposed relation on these solids and found a better ...

Science.gov (United States)

The neutron-rich Mn isotopes from A=59 to 63 have been studied through multi-nucleon transfer reactions by bombarding a {sup 238}U target with a beam of {sup 70}Zn at an energy of E{sub lab}=460 MeV. Prompt {gamma} rays measured by the CLARA array have been identified unambiguously for each nucleus, using coincidence relationships with ions detected in the high-acceptance magnetic spectrometer PRISMA. The new data extends the knowledge of the low-lying level structure of Mn isotopes, which is discussed in terms of the systematics of the region. Results are compared with large-scale shell-model calculations using different effective interactions and valence spaces.

Science.gov (United States)

An estimate of the undercounted electrostatic energy terms in local-density-functional total-energy calculations for nonmetallic systems with separated electron-hole pairs is used to derive a simplified correction to density-functional - theory band gaps. The correction is evaluated for Ne, Ar, Kr, LiF, NaCl, CsCl, MgO, CaS, BaS, C, AlP, and Si. The band-gap errors are reduced from 40-50% to 10-15% for most of the systems studied. Conduction-band corrections are shown to be nearly as large as valence-band corrections in free-electron-like semiconductors. 28 references, 1 figure.

Energy Technology Data Exchange (ETDEWEB)

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd{sub 2}Si{sub 2} are examined within the framework of the single-ion Anderson model. Such an analysis has previously given excellent agreement between theory and experiment for numerous other light heavy-fermion compounds, where crystalline fields do not play a dominant role. For YbPd{sub 2}Si{sub 2}, substantial crystalline-field splittings make difficult a quantitative comparison with existing exact solutions of the Anderson model. Inconsistencies with the interpretation that a nearly degenerate ground quadruplet determines the low-temperature thermodynamics are pointed out. It is concluded that at least three of the four Kramers doublets participate in the low-{ital T} properties. These three doublets should have a splitting of the order of the ...

International Nuclear Information System (INIS)

The concepts of ''fast'' and ''slow'' time scale valence measurements are emphasized by a comparison of L/sub III/ absorption and Mossbauer effect measurements on the temperature induced valence change in EuPd/sub 2/Si/sub 2/. Further the authors show how synchrotron radiation based L/sub III/ measurements of the Ce-valence state can be used to demonstrate electronic structure trends under wide changes in chemical environment. The purpose of this paper is to provide an introduction to researchers in the People's Republic of China to the field of mixed valent rate earth compounds. They hope to illustrate some of the basic concepts in this field, how the field is contributing to the overall insight into the chemical physics of solids and finally how synchrotron radiation measurements in particular are playing a key role in this field.

KoreaScience (Korea)

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CERN Document Server

The NuTeV collaboration reported anomalously large weak mixing angle sin^2 theta_W in comparison with the standard model prediction. Neutrino and antineutrino charged- and neutral-current events are analyzed for extracting sin^2 theta_W. Although the Paschos-Wolfenstein relation is not directly used in the analysis, it plays an important role in the determination. Noting that the target nucleus, iron, is not an isoscalar nucleus, we derive a leading-order expression for a modified Paschos-Wolfenstein relation for nuclei, which may have neutron excess. Then, using charge and baryon-number conservations for nuclei, we discuss an important nuclear correction in the sin^2 theta_W determination. It is noteworthy that nuclear modifications are different between valence up- and down-quark distributions. We find that this difference effect could be of the order of the NuTeV sin^2 theta_W deviation.

Energy Technology Data Exchange (ETDEWEB)

The ep{yields}e'p{rho}{sup 0} reaction has been measured using the 5.754 GeV electron beam of Jefferson Lab and the CLAS detector. This represents the largest ever set of data for this reaction in the valence region. Integrated and differential cross-sections are presented. The W, Q{sup 2} and t dependences of the cross-section are compared to theoretical calculations based on the t-channel meson-exchange Regge theory, on the one hand, and on quark handbag diagrams related to Generalized Parton Distributions (GPDs) on the other hand. The Regge approach can describe at the {approx}30% level most of the features of the present data while the two GPD calculations that are presented in this article which succesfully reproduce the high-energy data strongly underestimate the present data. The question is then raised whether this discrepancy originates from an incomplete or inexact way of modelling the GPDs or the associated hard scattering ...

International Nuclear Information System (INIS)

We report a detailed augmented-plane-wave energy-band study and wave-function analysis of stoichiometric PdH which shows that, even though the Fermi surface of PdH is qualitatively similar to that of silver, the simple ''proton model'' is not valid. Instead, the screening of the proton in PdH is found to be larger than in an isolated H atom due, in part, to the formation of a H-Pd bonding band below the bottom of the d-band complex. This result, which is in qualitative agreement with Switendick's earlier calculation, is confirmed by ultraviolet photoemission experiments. A partial density-of-states (DOS) analysis in the energy range spanned by the six valence and conduction bands reveals the quantitative details of the bonding mechanism between the Pd and H constituents. At the Fermi energy, the high Pd d to H s DOS ratio approx. 10.3 is found to be far higher than expected in silver, despite the fact that the Fermi-surface geometry is similar. ...

International Nuclear Information System (INIS)

We report on solid solution CePd_2_-_xMn_xSi_2 which shows an interesting transition of the Ce-ion from magnetism in a Kondo regime to an intermediate valence state coupled with a strongly magnetic 3d sublattice. ((orig.)).

International Nuclear Information System (INIS)

Our studies on K#beta#/K#alpha# X-ray intensity ratios of some of the technologically important 3d-transition metal compounds have been reviewed. Comparison of the experimental results with single-configuration Dirac-Fock calculations provided important information on the valence states of the transition metals in various compounds, which can be helpful in understanding the nature of bonding in the compounds. (author)

International Nuclear Information System (INIS)

By using a model dielectric matrix in electron self-energy evaluations the computational effort of a quasiparticle band-structure calculation for a semiconductor is greatly reduced. Applications to various systems with or without inversion symmetry, having narrow or wide band gaps, and semiconductor alloys demonstrate the reliability and accuracy of the method. Calculations have been performed for thirteen semiconducting or insulating materials: Si, LiCl, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, and the Al_0_._5Ga_0_._5As and In_0_._5_3Ga_0_._4_7As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, E(#GAMMA#_1_c) of AlP, E(L_1_c) of AlAs, and E(L_1_c) of AlSb are discussed and attributed to various experimental uncertainties. Several other quasiparticle-excitation-related properties are also examined in this work. The many-body corrections to the eigenvalues of ...

International Nuclear Information System (INIS)

K?-to-K? X-ray intensity ratios of Ti and Ni have been measured in pure metals and in alloys of TixNi1-x (x=0.7, 0.6, 0.5, 0.4 and 0.3) following excitation by 22.69 keV X-rays from a 10 mCi 109Cd radioactive point source. The valence-electron configurations of these metals were determined by corporation of measured K?-to-K? X-ray intensity ratios with the results of multiconfiguration Dirac-Fock calculation for various valence-electron configurations. Valence-electron configurations of 3d-transition metals in alloys indicate significant differences with respect to the pure metals. Our analysis indicates that these differences arise from delocalization and/or charge transfer phenomena in alloys. Namely, the observed change of the valence-electron configurations of metals in alloys can be explained with the transfer of 3d electrons from one element to the other element and/or the rearrangement of ...

Energy Technology Data Exchange (ETDEWEB)

Neutron capture ..gamma..-ray spectra have been measured at 11 average neutron energies from 10 to 530 keV in /sup 88/Sr using a 20 x 15 cm NaI detector with time-of-flight discrimination of background events. The partial radiation widths and the calculated partial valence widths are compared for the strong p-wave resonances at 287 and 321 keV and found to be highly correlated. At these energies, the spectra are dominated by strong transitions to low-lying single particle states, in confirmation of the role of valence capture in the 3p region. However, the data do not support this mechanism at <508> keV.

International Nuclear Information System (INIS)

Cerium L_3 XANES (x-ray-absorption near-edge-structure) spectra were analyzed to separate Ce moment contributions and mixed valence (MV) in complex magnetic silicides CePd_2_-_xMn_xSi_2 (0#<=#x#<=#2). The Ce valence mixing does not vary linearly with x, but increases rapidly for x#>=#1.5. The associated moment collapse correlates with pronounced deviations of the unit-cell volume from Vegard law and the onset of structural instability. Reorientation of [001] Mn 3d antiferromagnetic order for x<2 appears to rapidly suppress the weak Ce valence mixing coexisting with antiferromagnetic order in CeMn_2Si_2.

International Nuclear Information System (INIS)

The objective was to study the brain areas which are activated when normal subjects make moral judgments. Ten normal adults underwent BOLD functional magnetic resonance imaging (fMRI) during the auditory presentation of sentences that they were instructed to silently judge as either 'right' or 'wrong'. Half of the sentences had an explicit moral content ('We break the law when necessary'), the other half comprised factual statements devoid of moral connotation ('Stones are made of water'). After scanning, each subject rated the moral content, emotional valence, and judgment difficulty of each sentence on Likert-like scales. To exclude the effect of emotion on the activation results, individual responses were hemo dynamically modeled for event-related f MRI analysis. The general linear model was used to evaluate the brain areas activated by moral judgment. Regions activated during moral judgment included the frontopolar ...

Energy Technology Data Exchange (ETDEWEB)

The difficulty in making good Ohmic contact at the interfaces with p-doped ZnSe is an important problem hindering the realization of blue-light-emitting diode lasers based on the II-VI semiconductor technology. So far no metal or semiconductor material has been found to have a low enough barrier at the (001) interface with ZnSe. A possible solution to this problem is the insertion of a so-called {ital barrier-reduction layer} at the interface with ZnSe. We have investigated the interface formation energies and valence-band offsets at the (001) interface between Al{sub x}Ga{sub 0.5{minus}x}In{sub 0.5}P and ZnSe. The results of our calculations show the existence of a strong interdependence between the valence-band offset and the interface geometric structure. The interface is found to have structural and electronic similarities to the GaAs-ZnSe(001) system. The very low values obtained for the valence-band offset confirm the ...

Energy Technology Data Exchange (ETDEWEB)

Eu 4f electronic structures of a temperature-induced valence transition system EuPd{sub 2}Si{sub 2} have been investigated by bulk-sensitive high-resolution photoemission spectroscopy at temperatures from 20 to 300 K. The bulk Eu{sup 2+} 4f component is definitely distinguished from two surface Eu{sup 2+} 4f components. The changes in the spectral intensity of the bulk Eu{sup 2+} and Eu{sup 3+} 4f configurations and in the energy separation between these states are observed in the temperature dependent photoemission spectra. These temperature dependences are related to the valence transition of EuPd{sub 2}Si{sub 2}. The Eu mean valence is evaluated to be 2.75{+-}0.03 at 20 K and 2.30{+-}0.05 at 300 K. These values are in good agreement with those evaluated from Moessbauer and Eu L{sub III}-edge X-ray absorption measurements.

Energy Technology Data Exchange (ETDEWEB)

The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu{sub 2}Si{sub 2} and EuPd{sub 2}Si{sub 2} ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value {nu}{sup cr}{sub eff}=2.1, corresponding to degeneration of the 4f{sup 7} and 4f{sup 6} configurations, the condition of the concentrated Kondo system and an essential perturbation of the band electron spectrum near the Fermi level occur. (orig.).

Energy Technology Data Exchange (ETDEWEB)

We present the results of a comprehensive study of the temperature dependences of the quantum efficiency for ultraviolet detectors based on GaAs, GaP and 4H--SiC Schottky structures, and on Si, GaAs p-n structures. For ultraviolet detectors based on Schottky structures, the quantum efficiency increases with increasing temperature for all photon energies, even including the semiconductor intrinsic absorption region. On the other hand, for ultraviolet detectors based on p-n structures, the quantum efficiency is practically temperature independent in the semiconductor intrinsic absorption region. The change in the quantum efficiency for the GaAs and Si detectors is less than 0.01% per degree. To explain the measurements, a variable trap occupancy model is presented. Subsurface imperfections of the semiconductor cause fluctuations in the profile of the conduction band and the valence band edges. In the presence of an electric field in the ...

International Nuclear Information System (INIS)

A formalism for the dynamical treatment of the molecular orbitals of valence nucleons in nucleus-nucleus collisions is developed with the use of the coupled-reaction-channel (CRC) method. The Coriolis coupling effects as well as the finite mass effects of the nucleon are taken into account in this model, of rotating molecular orbitals, RMO. First, the validity of the concept is examined from the viewpoint of the multi-step processes in a standard CRC calculation for systems containing two identical [core] nuclei. The calculations show strong CRC effects particularly in the case where the mixing of different l-parity orbitals - called hybridization in atomic physics - occurs. Then, the RMO representation for active nucleons is applied to the same systems and compared to the CRC results. Its validity is investigated with respect to the radial motion (adiabaticity) and the rotation of the molecular axis (radial and rotational coupling). ...

Energy Technology Data Exchange (ETDEWEB)

K{beta}-to-K{alpha} X-ray intensity ratios of Ti and Ni have been measured in pure metals and in alloys of Ti{sub x}Ni{sub 1-x} (x=0.7, 0.6, 0.5, 0.4 and 0.3) following excitation by 22.69 keV X-rays from a 10 mCi {sup 109}Cd radioactive point source. The valence-electron configurations of these metals were determined by corporation of measured K{beta}-to-K{alpha} X-ray intensity ratios with the results of multiconfiguration Dirac-Fock calculation for various valence-electron configurations. Valence-electron configurations of 3d-transition metals in alloys indicate significant differences with respect to the pure metals. Our analysis indicates that these differences arise from delocalization and/or charge transfer phenomena in alloys. Namely, the observed change of the valence-electron configurations of metals in alloys can be explained with the transfer of 3d electrons from one element to the other ...

International Nuclear Information System (INIS)

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

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.

International Nuclear Information System (INIS)

From self-consistent band structure calculations using the 'augmented plane wave'(APW) method, the density of states can be decomposed into local partial (according to azimuthal quantum number l) components, the l-character densities. Within the APW formalism the intensity of X-ray emission spectra is determined by radial transition probabilities and l-character densities of such valence states, which reside inside the same atomic sphere as the core vacancy and whose quantum number l differs by +-1 from the one corresponding to the core state. By taking into account lifetime broadening of the core and valence states and also the instrumental broadening the computed spectra (non-metal K-, vanadium K- and Lsub(III)-spectra) agree well with experiment. (orig.).

International Nuclear Information System (INIS)

A comparative study by Eu-L_I_I_I X-ray absorption and "1"5"1Eu-Moessbauer spectroscopy is presented for the EuPd_2_-_xAu_x Si_2 series. Possible ways to distinguish between mixed-valent behaviour and final-state effects in the L_I_I_I-edge spectra are discussed.

Energy Technology Data Exchange (ETDEWEB)

The nucleon axial charge is calculated as a function of the pion mass in full QCD. Using domain wall valence quarks and improved staggered sea quarks, we present the first calculation with pion masses as light as 354 MeV and volumes as large as (3.5 fm)3. We show that finite volume effects are small for our volumes and that a constrained fit based on finite volume chiral perturbation theory agrees with experiment within 5% statistical errors.

International Nuclear Information System (INIS)

The optical properties of uranium monochalcogenides and monopnictides are discussed in terms of their electronic structure. A comparison is made with corresponding rare earth compounds. It is shown that there are close similarities to mixed valence CeN. the results support the occurrence of a dip in the density of d states near Esub(F), where the f density of states has its maximum. Empirical energy level schemes are derived which are found to agree with the existing information from XPS measurements and recent theories. (orig.).

International Nuclear Information System (INIS)

The K"+- and K"-meson cumulative production cross sections are measured at 119"0 in the laboratory system on nuclei Be, Al, Cu and Ta bombarded by 10 GeV protons. Spectra of the K"-mesons consisting of only sea quarks show universal features characteristic of the spectra of cumulative particles, which contain valence quarks. Evidence is obtained for the fact that the energy density in a flucton can exceed the mean nuclear density by an order of magnitude.

International Nuclear Information System (INIS)

Chemical influences on the relative Ksub(#nu#)/Ksub(#alpha#) x-ray intensity ratio up to five per cent were found for different chemical constitutions of Cr, Mn, Fe and Cu by very precise PIXE measurements. In the discussion of these effects, screening of 3p electrons by a varying 3d valence charge, as well as polarisational effects are of importance. (author).

Energy Technology Data Exchange (ETDEWEB)

Cerium [ital L][sub 3] XANES (x-ray-absorption near-edge-structure) spectra were analyzed to separate Ce moment contributions and mixed valence (MV) in complex magnetic silicides CePd[sub 2[minus][ital x

International Nuclear Information System (INIS)

3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys.

International Nuclear Information System (INIS)

The electronic structure of UPd_3 has been determined by means of XPS and BIS experiments. The core level line shapes and the valence band spectra of occupied and empty states clearly reveal the localized character of the 5f electrons in this actinide compound. From these spectra their Coulomb correlation energy is found to be about 2 eV. (author).

International Nuclear Information System (INIS)

Oxide superconducting thin films were irradiated with X-rays and ultra-violet (UV) light, and induced radiation effects on electrical and chemical properties were examined by transport measurement, X-ray diffraction analysis (XRD), diamagnetization measurement and X-ray photoemission spectroscopy (XPS). After irradiation for ErBa_2Cu_3O_x films with X-rays emitted from a Rh tube for 100 hours, superconductivity was remarkably damaged, destroying the zero-resistance state. The UV-light irradiation for Bi_2Sr_2CaCu_2O_x films was performed in He gas of about 500 Pa with a low pressure mercury lamp. The superconductivity was gradually degraded with the UV irradiation time up to 70 minutes. In both cases, adequate oxygen-annealing treatments restored superconductivity. The X-ray photoemission spectra showed that the mean Cu valence of the films was decreased approximately from +2 to +1 by the irradiation. From these results we can find that irradiation with the X-ray ...

International Nuclear Information System (INIS)

Potassium deposition in ultrahigh vacuum on 12-(3-thienyl)dodecanethiol monolayers assembled on gold surfaces has been investigated using X-ray and ultraviolet photoelectron spectroscopies (XPS and UPS). Angle-resolved XPS indicates that initially deposited potassium penetrates the self-assembled monolayer (SAM) and diffuses to the SAM/Au interface. Even after large metal doses, the presence of thiophene ring valence electronic states in the UPS spectra confirms that most of the thiophene rings (at the SAM/vacuum interface) are not covered by potassium. The binding energy shifts of the thiophene ring valence states and the C1s and thiophene S2p peaks, referenced to the Fermi level, are due to the work function changes of the gold substrate. This indicates that these electronic states are pinned to the vacuum level, in contrast to the thiolate S2p orbital, which is pinned to the Fermi level. For large potassium doses, the appearance of new ...

Science.gov (United States)

Charge flow and valence/d-band behavior in ion-beam-mixed (IBM) Pd1-xAgx (x = 0.5-0.9) alloys have been studied by X-ray photoemission measurement of the valence bands and of core-level binding energy shifts and X-ray absorption near-edge structure. We correlated the observed Ag 3d5/2 core-level shifts in these IBM alloys, relative to the elemental Ag, with the White Line area changes at the Pd and Ag L3-edge to investigate the charge redistribution at the Ag site. The results indicate that there is a decrease in sp-like conduction electron and a negligible change in the number of d-electrons at the Ag site upon alloying. These results are in line with our previous results in which Pd gains d-charges and loses sp-type charges. This electron redistribution due to hybridization in the alloy leads small net charge transfer from the Ag site to the Pd site in accordance with electronegativity predictions. This result is consistent with the result of ...

Energy Technology Data Exchange (ETDEWEB)

The purpose of this study is fabrication and characterization of silver nanofluid by the submerged arc nanoparticle synthesis system (SANSS). The silver metal electrodes under the electrical discharge will melt and evaporate rapidly and condense to form the nanoparticles in the lower temperature dielectric liquid and produce the suspended nanoparticle. The results showed that the spherical nanosilver particle formed in the ethylene glycol and the mean particle size is about 12.5 nm. The prepared silver nanofluid was irradiated under the 410 nm visible light, electrons could be excited from the valence band to the conduction band. The silver nanofluid more closely resembles Newtonian fluids.

International Nuclear Information System (INIS)

This report provides a summary of theoretical and experimental studies of actinide spectra in condensed phases. Much of the work was accomplished at Argonne National Laboratory, but references to related investigations by others are included. Spectroscopic studies of the trivlent actinides are emphasized, as is the use of energy level parameters, evaluated from experimental data, to investigate systematic trends in electronic structure and other properties. Some reference is made to correlations with atomic spectra, as well as with spectra of the (II), (IV), and higher valence states. 207 refs., 39 figs., 38 tabs.

Energy Technology Data Exchange (ETDEWEB)

Self-consistent electronic structure calculations have been performed on two compositions of scandium sulfide ScS and Sc/sub 3/S/sub 4/. The results of the calculation of ScS are similar to those obtained for other transition metal chalcogenides and are in excellent agreement with heat capacity and reflectance measurements as well as UPS experiments. The calculation of the defect structure indicates the creation of sulfur p nonbonding states in metal-deficient ScS. The valency of the metal ions remains unchanged upon the creation of vacancies.

Energy Technology Data Exchange (ETDEWEB)

Chemical effects of L X-ray intensity ratios in niobium and molybdenum compounds were studied by electron and proton bombardments. L{sub {gamma}1} X-rays which involve transition of 4d electrons of the valence shell were found to be sensitive to the chemical environment. The L{sub {gamma}1}/L{sub {beta}1} X-ray intensity ratio increased with an increase of the 4d electron occupation of niobium or molybdenum in niobium or molybdenum compounds, showing that the chemical effects can be ascribed to the 4d electron behavior of the metallic atom in its compounds. (orig.).

International Nuclear Information System (INIS)

The isomeric and ?-decay properties of neutron-rich 53-57Sc and 53,54Ca nuclei near neutron number N=32 are reported, and the low-energy level schemes of 53,54,56Sc and 53-57Ti are presented. The low-energy level structures of the 21Sc isotopes are discussed in terms of the coupling of the valence 1f7/2 proton to states in the corresponding 20Ca cores. Implications with respect to the robustness of the N=32 subshell closure are discussed, as well as the repercussions for a possible N=34 subshell closure.

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# X-ray intensity ratios of Ti, Cr, Fe and Co in pure metals and in Cr_0_._2_6Fe_0_._7_4, Cr_0_._8_0Co_0_._2_0 and Ti_0_._8_0Cr_0_._2_0 alloys have been measured following excitation by 59.54 keV #gamma#-rays from a 7400 MBq (200 mCi) "2"4"1Am point-source. The valence electronic structure of Ti, Cr, Fe and Co in the samples have been evaluated by the comparison of the measured K#beta#-to-K#alpha# intensity ratios with the results of multiconfiguration Dirac-Fock calculations performed for various electronic configurations of these metals. The 3d-electron populations obtained for pure metallic Ti, Cr, Fe and Co agree well with the results of band structure calculations of Papaconstantopoulos (Handbook of band structure of elemental solids, Plenum Press, New York, 1986). Our analysis indicates significant increase of 3d-electron population of Ti, Cr and Fe in the alloys with respect to the pure metals, except for Cr in Cr_0_._2_6Fe_0_._7_4 where ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The thermoluminescence (TL) and emission of coloured RbCl and RbCl:Sn crystals are studied in the temperature range 300 to 560 K. The glow peaks responsible for F centres and tin centres in different valence states are identified using optical bleaching studies. The glow peaks are analysed using total curve fitting method and the kinetic parameters are determined. In moderately #gamma#-irradiated tin-doped RbCl crystals, the TL emission bands observed at 4.0, 3.6, and 2.2 eV are attributed to Sn"0, Sn"+, and Sn"- centers, respectively. A comprehensive energy level diagram depicting the various TL processes in these undoped and tin-doped RbCl crystals is proposed. (author).

Energy Technology Data Exchange (ETDEWEB)

The linearized collective Schroedinger equation for nuclear quadrupole surface vibrations incorporates a new spin degree of freeedom with a spin value of 3/2. We use this equation to describe the low energy spectrum of certain even-odd Ir nuclei which have a spin 3/2 in their ground state. For that purpose we explicitly introduce collective spin-dependent potentials which simulate the interaction of the valence nucleon with the core. The linearized Schroedinger equation is transformed into an effective Schroedinger equation with collective spin-dependent potentials. Already collective spin-orbit couplings of SO(3) and SO(5) type are sufficient to reproduce the lowest excited states of even-odd Ir nuclei. (orig.).

Science.gov (United States)

Within the framework of the cluster approach and the semiempirical SCF MO LCAO method in the CNDO/BW valence approximation, possible pathways have been compared for the dehydroxylation of aluminosilicate systems. It has been shown that dehydroxylation as a result of splitting of a water molecule from an acidic bridge hydroxyl group and a more basic terminal group Al-OH is the most energyfavorable. Apparently, such a dehydroxylation pathway is primarily characteristic for amorphous aluminosilicates. Typical of crystalline aluminosilicates at moderate heat-treating temperature is dehydroxylation through splitting of a water molecule from an acidic bridge hydroxyl group and a neutral Si-OH group; at higher temperatures, there is a possible pathway of dehydroxylation of highsilica zeolites as a result of condensation of two acidic surface hydroxyls.

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Single stage separation factors ..cap alpha.. have been determined for /sup 6/Li and /sup 7/Li between lithium ions in methanol and complexed ions with a cryptand (2 sub(B), 2, 1) polymer. The /sup 6/Li was concentrated in the cryptand. The separation factors were compared with the values of other chemical exchange systems. The maximum enrichment factor obtained was epsilon = 0.047 +- 0.002. The figure is one of the greatest in the chemical exchange reactions without valence change and almost 10 times larger than the values of ion exchangers. The variation in ..cap alpha.. depending on the chemical species was small in the non-aqueous system. High enrichment of lithium isotopes was expected to be achievable by means of the chromatographic application of the cryptand (2 sub(B), 2, 1).

Energy Technology Data Exchange (ETDEWEB)

During the recrystallization by solid-phase-epitaxial (SPE) growth of supersaturated silicon alloys, a high concentration of interstitials is trapped. These are released by subsequent heating causing a transient (greatly enhanced) diffusion of the substitutional dopant by an interstitialcy mechanism. The enhancement may be as much as five orders of magnitude over tracer values, and shows an activation energy of only 1.8 +- 0.2 eV. Following the transient, the interstitials condense into loops, allowing an independent estimate to be made of their concentration. From these observations, we propose that during ion implantation, a fraction of the implanted dopants can acquire their natural valency, and retain it as the crystallization interface passes. For group V dopants this creates the trapped interstitials, giving transient enhanced diffusion when they are released by subsequent annealing.

International Nuclear Information System (INIS)

We have calculated the electronic structure of Eu for the bcc, hcp, and fcc crystal structures for volumes near equilibrium up to a calculated 90 GPa pressure using the augmented-plane-wave method in the local-density approximation. The frozen-core approximation was used with a semi-empirical shift of the f-states energies in the radial Schroedinger equation to move the occupied 4f valence states below the #GAMMA#_1 energy and into the core. This shift of the highly localized f-states yields the correct europium phase ordering with lattice parameters and bulk moduli in good agreement with experimental data. The calculated superconductivity properties under pressure for the bcc and hcp structures are also found to agree with and follow a T_c trend similar to recent measurement by Debessai et al.

International Nuclear Information System (INIS)

The compounds CePdSi_2, CeIrSi_2 and CeRhSn_2 have been synthesized and studied by X-ray diffraction, electrical resistivity and magnetic susceptibility. The magnetic susceptibility of CePdSi_2 exhibits two peaks at 6.8 K and 2.5 K, respectively, indicating two antiferromagnetic phase transitions, while that of CeIrSi_2 shows a broad maximum at 150 K, characteristic of valence fluctuating Ce-compounds. CeRhSn_2 remains paramagnetic down to 5 K. The resistivity of CeIrSi_2 exhibits a T"2 dependence at low temperatures, indicating a Fermi-liquid ground state, while those of CePdSi_2 and CeRhSn_2 shows the presence of Kondo and crystal field effects. (orig.).

Energy Technology Data Exchange (ETDEWEB)

Heavy-ion reaction with unstable nuclei, {sup 13}N and {sup 11}Be, {sup 13}N+{sup 12}C and {sup 11}Be+{sup 12}C-{sup 10}Be+{sup 13}C were analyzed by a coupled-reaction-channel (CRC) method and formation of valence nucleon molecular orbital was studied by numerical analysing calculation. In this report, 1P1/2 (the ground state of {sup 13}N and {sup 13}C), 2s1/2 (the ground state of {sup 11}Be), 1d5/2 and 1d3/2 orbital were studied as one particle state of valance nucleon in {sup 13}N, {sup 13}C and {sup 11}Be. Moreover, d3/2 state, comparatively higher excited state, was contained into CRC calculation. The effect of this state on CRC scheme was proved very large. We developed new program code to obtain the numerical stable solution. It is necessary to about 200 MB (CRC equation) for {sup 11}Be+{sup 12}C{yields}{sup 10}Be+{sup 13}C and about 300 MB for discussion about molecular orbital. We show that the CRC calculation with the inelastic transitions and the ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

We examined a catalytic effect of niobium oxide (Nb{sub 2}O{sub 5}) on the hydrogen storage properties of MgH{sub 2} prepared by mechanical ball milling method. The MgH{sub 2} composite doped with 1 mol% Nb{sub 2}O{sub 5} by ball milling for 20 h desorbed hydrogen up to {approx}6 mass% in the temperature range from 200 to 250 {sup o}C at the heating rate of 5 {sup o}C/min under a purified helium flow. After dehydrogenation at 200 {sup o}C, the product showed remarkable hydrogen absorption kinetics. A large amount of gaseous hydrogen up to {approx}4.5 mass% was absorbed even at room temperature under 1 MPa hydrogen pressure within 15 s and finally its capacity reached up to 5 mass%. Furthermore, the valence state of Nb{sub 2}O{sub 5} doped in MgH{sub 2} was examined by X-ray absorption near edge structure (XANES) measurement. The results indicated that additive Nb{sub 2}O{sub 5} was reduced by MgH{sub 2} during mechanical milling. This suggests that the Nb compound, ...

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heterogeneity bias Static models: Other models:

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The K{beta}-to-K{alpha} X-ray intensity ratio of Ni in Ni{sub 3}Si, Ni{sub 2}Si and NiSi has been determined by energy dispersive X-ray fluorescence technique. It is found that the intensity ratio of Ni decreases from pure Ni to Ni{sub 2}Si and then increases from Ni{sub 2}Si to NiSi, in good agreement with the electronic structure calculations cited in the literature. We have also performed band structure calculations for pure Ni in various atomic configurations by means of linear muffin-tin orbital method and used this data with the normalized theoretical intensity ratios cited in the literature to estimate the 3d-occupation numbers of Ni in Ni-Si alloys. It is emphasized that investigation of alloying effect in terms of X-ray intensity ratios should be carried out for the stoichiometric alloys in order to make reliable and quantitative comparisons between theory and experiment in transition metal alloys.

Energy Technology Data Exchange (ETDEWEB)

For the first time, rheological phase method, a simple and effective route, is applied to synthesize novel cathode material LiCoPO{sub 4}. X-ray diffraction spectrometer (XRD), X-ray photoelectron spectrometer (XPS), transmission electron microscope (TEM) and electrochemical impedance spectroscopy (EIS) are taken to investigate this material, respectively. XRD figure shows that the rheological sample is better crystallized than the solid-state one. XPS result of the rheological sample exhibits that the valence of Co is 2+. TEM images show that better dispersed particles with smaller size can be formed by rheological method comparing to the solid-state route. Charge-discharge test is carried out in the range of 3.0-5.0 V at 0.2 mA cm{sup -2}. The initial discharge capacity for rheological phase and solid-state powder is 71.5 and 30.9 mAh g{sup -1}, respectively. The better electrochemical property should be ascribed to the better crystallized rheological phase ...

International Nuclear Information System (INIS)

The detailed electronic energy band structure of hexagonal close-packed #alpha#-zirconium, corresponding to the atomic configuration of 4d"25s"2 of its four outermost valence electrons, has been computed by the composite-wave variational version of the augmented-plane-wave(APW) method in conjunction with the X#alpha#(#alpha# = 0.70424) exchange approximation for obtaining the potentials. From these data the electronic density of states and its angular-momentum-decomposed components have been obtained by the Raubenheimer-Gilat method. These quantities are required in order to calculate the electron-phonon interaction parameter (lambda) and the superconducting transition temperature (Tsub(c)) within the framework of the theories of Gaspari and Gyorffy and McMillan. A study of the variation of Tsub(c) with the Coulomb pseudopotential (#mu#*) revealed that #mu#* = 0.1 yields the best agreement between theory and experiment for #alpha#-Zr. Also studied from the energy ...

British Library Electronic Table of Contents (United Kingdom)

A novel visible light sensitive photocatalyst, AgSbO3 was prepared by a conventional solid-state reaction method. This oxide belonging to a cubic-pyrochlore structure can absorb visible light with wavelength up to about 480nm. From the band structure calculation, we found that the top of the valence band consists of the hybridized Ag 4d and O 2p orbitals and the bottom of the conduction band mainly consists of the Ag 5s and the Sb 5s orbitals. Photocatalytic activities were evaluated using O2 evolution from an aqueous silver nitrate solution and decomposition of gaseous 2-propanol under visible light irradiation. We found that AgSbO3 shows a higher O2 evolution activity than WO3 and 2-propanol can be mineralized by the AgSbO3 photocatalysis under visible light irradiation.

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Recent progress in the metallic conducting Langmuir-Blodgett (LB) films built from TTF derivative and fatty acids is reported. A simple LB method of transferring the mixed Langmuir (L) film of BEDO-TTF (BO) and stearic acid (SA) onto substrates provided metallic conducting LB films. A homogeneous L film formation on the water surface observed by Brewster angle microscope (BAM) is an essential factor for the well-ordered LB films. In the L film, the carboxylate group of fatty acid forms anion layer bringing about a spontaneous formation of mixed valence state (MVS) of BO layer. Similar spontaneous formation was also found in the molecular combination of nonoxygen-substituted donor of EDT-TTF and octadecanesulfonic acid (OS). This type of reaction would be useful for obtaining conducting LB films. For the LB films of BEDO-TTF and stearic acid, we found a negative transverse magnetoresistance at low temperature that was interpreted in the weak localization of a ...

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We report the results of neutron-diffraction experiments on CeM/sub 2/Si/sub 2/ (M = Ag,Au,Pd,Rh) which were performed to explore the role of valence fluctuations and 4f hybridization in the magnetic ordering of cerium compounds. All four order antiferromagnetically, the first three exhibiting structures consisting of ferromagnetic layers with moments perpendicular to the layers, which are believed to be characteristic of 4f-4f interactions mediated through hybridization with conduction electrons. CePd/sub 2/Si/sub 2/ has an anomalously small moment (0.62..mu../sub B/) in the ordered state. CeAg/sub 2/Si/sub 2/ exhibits an incommensurate longitudinal, static magnetization wave with moment and propagation direction along the a axis. The fourth compound, CeRh/sub 2/Si/sub 2/, has the highest known transition temperature (39 K) reported for cerium ordering; it exhibits another second-order transition at 27 K to a complex commensurate structure with modulated moments. ...

Energy Technology Data Exchange (ETDEWEB)

The Schroedinger equation for nuclear quadruple surface vibrations is linearized with the consequence that a new spin degree of freedom appears in the wave function of the linearized equation. This spin is called collective spin and has a value of 3/2. The linearized Schroedinger equation for quadrupole vibrations is used for the description of certain collective aspects of even-odd {sup 187,189,191}Ir nuclei which have a spin 3/2 in their ground state. As a potential we use the {gamma}-soft collective potential of the neighboring even-even nuclei, which is inserted into the linearized Schroedinger equation via a scalar coupling. This leads to a collective spin-dependent fine structure splitting of the energy levels governed by a collective SO(5) spin-orbit coupling and a correction to the kinetic energy. Further, we consider explicitly spin-dependent potentials which effectively describe the interaction of the valence nucleon with the core of the even-odd Ir ...

International Nuclear Information System (INIS)

A scalar-relativistic procedure for calculating the valence-electron contribution to the total energy of bulk and thin-film solids has been developed and applied to the fcc and bcc phases of the group-VIB transition elements Cr, Mo, and W. This approach, which is based on the linear augmented-plane-wave method and local-density-functional theory, contains no shape approximations for either the charge density or potential. The formulation adopts a rigid-core approximation and incorporates an exact treatment of the core-charge tails that extend beyond the muffin-tin spheres. The application of this procedure to bcc Cr, Mo, and W yields calculated lattice parameters and bulk moduli that are in good (Cr) to excellent (Mo and W) agreement with experiment. The present calculated properties also agree quite well with the results of previous calculations involving a variety of band-structure methods. The calculated fcc-bcc energy difference for Cr, Mo, and W increases in a ...

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# X-ray intensity ratios of Ti, V, Cr, and Co in pure metals and their disilicide compounds have been measured following excitation by 59.54 keV #gamma#-rays from a 200 mCi "2"4"1Am point-source. The K#beta#-to-K#alpha# intensity ratios of all these metals in the disilicide compounds are found to be less than the corresponding ratios for pure metals. Comparison of the measured K#beta#-to-K#alpha# intensity ratios for the disilicides and pure metals with the multiconfiguration Dirac-Fock calculations indicates increase of the 3d electron populations of Ti, V, Cr, and Co in the disilicides from their pure metal values suggesting the rearrangement of electrons between 3d and 4s states of the individual metal atom. This rearrangement is found to be opposite to that observed in our previously reported work on NiSi_2 and CuSi_2.

International Nuclear Information System (INIS)

Systematic ensemble photoluminescence studies have been performed on type-I InP-quantum dots in Al_0_._2_0Ga_0_._8_0InP barriers, emitting at approximately 1.85 eV at 5 K. The influence of different barrier configurations as well as the incorporation of additional tunnel barriers on the optical properties has been investigated. The confinement energy between the dot barrier and the surrounding barrier layers, which is the sum of the band discontinuities for the valence and the conduction bands, was chosen to be approximately 190 meV by using Al_0_._5_0Ga_0_._5_0InP. In combination with 2 nm thick AlInP tunnel barriers, the internal quantum efficiency of these barrier configurations can be increased by up to a factor of 20 at elevated temperatures with respect to quantum dots without such layers. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Energy Technology Data Exchange (ETDEWEB)

The near normal incidence reflectivity of the ferromagnets U/sub 3/P/sub 4/ and U/sub 3/As/sub 4/ and the isostructural but diamagnetic compounds Th/sub 3/P/sub 4/ and Th/sub 3/As/sub 4/ has been measured from 0.03 to 12 eV. Trithorium tetraphosphide and tetraarsenide are shown to be indirect gap semiconductors with gap energies of 0.43 and 0.39 eV, respectively. U/sub 3/P/sub 4/ and U/sub 3/As/sub 4/ display similar sets of p..-->..d transitions than the corresponding thorium compounds, however, they are shifted by 0.85 eV to lower photon energies. It is concluded that the uranium compounds are metals due to a merging of the valence p band into the 6d conduction band giving direct experimental evidence for a p-f mixing effect of the same size. Energy level schemes are derived.

International Nuclear Information System (INIS)

The detailed energy-band structure of hexagonal-close-packed technetium, corresponding to the atomic configuration 4d"55s"2 of its seven outermost valence electrons, has been obtained throughout the Brillouin zone using the composite-wave variational version of the augmented-plane-wave (APW) method in conjunction with the X#alpha# (#alpha# = 0.702 99) exchange approximation for obtaining the potentials. From the band-structure data the electronic density of states (DOS) and the angular-momentum--decomposed DOS were calculated by the accurate Gilat-Raubenheimer method. These quantities were used to calculate the electron-phonon coupling constant and the transition temperature (T/sub c/) using the theories of Gaspari and Gyorffy and of McMillan. Also studied were the Fermi surface and the optical properties of Tc via the imaginary part of the interband dielectric constant for bound electrons, the latter being the first of such a study on Tc to date. The ...

International Nuclear Information System (INIS)

The broad bands in the room-temperature excitation spectra of Sm"3"+-, Dy"3"+- and Tm"3"+-activated Ca-#alpha#-SiAlON phosphors are interpreted as the N"3"--to-rare earth charge transfer transition (CTT). From the energies of the charge transfer transitions and from the optical data presented for the Eu"2"+ ion, the location of the divalent rare earth ion energy levels relative to the valence and the conduction band of Ca-#alpha#-SiAlON is derived. The salient features of the energy-level diagram are shown to be practical in explaining the temperature-dependent variations of the Eu"2"+ and Yb"2"+ luminescence efficiency in Ca-#alpha#-SiAlON. A comparative study pertaining to the nature of the Yb"2"+ and Eu"2"+ ion luminescence in Ca-#alpha#-SiAlON and in SrSi_2O_2N_2 is presented. A tentative energy-level diagram of the trivalent rare earth ions in Ca-#alpha#-SiAlON is also constructed.

International Nuclear Information System (INIS)

With "1"5"1Eu-Moessbauer spectroscopy and other methods the complex magnetic properties of Eu_2PdSi_3, arising from the two crystallographically different lattice sites of the Eu"2"+ ions, have been already studied. Here we study the impact of magnetic dilution of the magnetic Eu"2"+ sites by non-magnetic Y"3"+ ions. A previous specific heat study has found reduced magnetic ordering temperatures with strong indication of disorder effects like in magnetic spin glasses. Here we provide from "1"5"1Eu-Moessbauer spectroscopy detailed information of the impact of Y"3"+ substitution on the magnetic properties of the two lattice sites, well distinguishable in the "1"5"1Eu-spectra. Since the substitution of the larger Eu"2"+ ions by the smaller Y"3"+ ions is connected with a lattice contraction, we also applied high pressure to the Eu_2PdSi_3 sample and observed drastic changes in the magnetic properties originating from a valence transition towards Eu"3"+ for one of the ...

UK PubMed Central (United Kingdom)

SIMV (simulation and modeling of ventilation) is a quantitative system for the mathematical modeling and simulation of pulmonary...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

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ScienceCinema

...english ...

Science.gov (United States)

... Multivibrators were used in the first model, which is called the "MV Model." Mwe second model, "1ST Model," has a saw-toothed voltage. ...

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... 4 Joint Committee on Atomic Energy as a Model . . . . . ... Joint Committee on Atomic Energy as a Model ...

Wastenet

Institutional and organizational models ... Review individual centre institutional and organizational models in the light of the tasks to be performed by

Energy Technology Data Exchange (ETDEWEB)

The role of natural enemies in the regulation of populations is one of the major questions facing population ecologists. Simplification have led to two theoretical ways of incorporating the role of natural enemies in single ecological models: diffusion models and patch-type models. The predictions of the models are different because of the way variability is incorporated. Three equations are presented for diffusion models and one for patch models. Since the two types of models apply at different combinations of spatial and temporal scales, the right model(s) to choose for a particular study requires careful assessment. A continuing dialogue between experimentalists and theoreticians will lead to a better understanding of natural systems such as those that occur in biological control.

Science.gov (United States)

terms of 11) numerical models, 2D SPH simulations, and analytic models. The 1D model was useful for determining the evolution over very long timescales. ...

UK PubMed Central (United Kingdom)

Models can be useful at many different levels when considering complex issues such as biological control of mosquitoes. At an early stage, exploratory models are valuable in exploring the characteristics...Full Text Available

Science.gov (United States)

Engine model: An engine and governor model adapted from a heavy lift helicopter simulation provides a restistic time delay between aerodynamic rotor ...

Science.gov (United States)

Basic research of the structure and electronic properties of a-Si:H is reported with particular emphasis on the role of defects. The main findings are as follows: (1) low defect density material can be deposited at a high rate using SiH/sub 4/ diluted in He or Ne. Using Ar or Kr results in a high defect density and columnar material; (2) an electrical bias during deposition modifies the band gap, hydrogen concentration and structure; (3) the clustering of hydrogen in the regions between the columns is confirmed; (4) hydrogen diffusion is observed by NMR; (5) the oxidation of an a-Si:H surface results in approx. 3 x 10/sup 11/ cm/sup -2/ dangling bonds at the interface; (6) auger recombination of photoexcited carriers is a significant non-radiative mechanism at low temperatures; (7) non-radiative recombination by diffusion and capture at dangling bonds is observed at temperatures above 50 to 100/sup 0/K; (8) the defect density in doped and compensated a-Si:H is determined by the ...

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

We present a high-statistics calculation of nucleon electromagnetic form factors in N{sub f}=2+1 lattice QCD using domain wall quarks on fine lattices, to attain a new level of precision in systematic and statistical errors. Our calculations use 32{sup 3}x64 lattices with lattice spacing a=0.084 fm for pion masses of 297, 355, and 403 MeV, and we perform an overdetermined analysis using on the order of 3600 to 7000 measurements to calculate nucleon electric and magnetic form factors up to Q{sup 2{approx_equal}}1.05 GeV{sup 2}. Results are shown to be consistent with those obtained using valence domain wall quarks with improved staggered sea quarks, and using coarse domain wall lattices. We determine the isovector Dirac radius r{sub 1}{sup v}, Pauli radius r{sub 2}{sup v} and anomalous magnetic moment {kappa}{sub v}. We also determine connected contributions to the corresponding isoscalar observables. We extrapolate these observables to the physical pion mass using ...

Energy Technology Data Exchange (ETDEWEB)

Successful interface engineering requires compositional and electronic material characterization as a prerequisite for understanding and intentionally generating interfaces in photovoltaic devices. The paper gives an overview with several examples, all referring to Cu(In,Ga)(S,Se){sub 2} ('CIGSSe')-based solar cells, with an emphasis on characterization using highly specialized methods, such as elastic recoil detection analysis, X-ray emission spectroscopy and photoelectron spectroscopy using synchrotron and ultraviolet light for excitation, inverse photoemission spectroscopy and Kelvin probe force microscopy. First, the determination of the depth profile of the band gap energy E{sub g} in the absorber layer is demonstrated. The modification of E{sub g} towards both interfaces is discussed in terms of beneficial electronic effects. Next, the interface between absorber and buffer layers with alternative and promising non-toxic materials is considered. Between CIGSSe ...

International Nuclear Information System (INIS)

The potentiodynamic polarization measurement of 254SMO stainless steel (UNS 31254) was conducted in 3.5% NaCl solutions with pH ranging from 0.1 to 5. The results indicated that this stainless steel offered excellent pitting corrosion resistance in corrosive environments. Further, it also exhibited various features on the polarization curves in different pH solutions. The electrochemical constant-potential passivation treatment performed at different pH followed by XPS analysis revealed that the primary constituents of the outermost layer of the passive films formed in the weak (pH 5) and strong (pH 0.8) acid solutions are iron oxides and Cr_2O_3 and Cr(OH)_3, respectively. Molybdenum oxides, primarily in the six-valence state, existed in the outermost layer of the passive film. Only very weak signals corresponding to that of nickel oxides were detected in the film formed in the weak acid (pH 5) solution. The ICP-MS analyses indicated selective dissolution of a ...

Energy Technology Data Exchange (ETDEWEB)

Arsenic in soils from the Asarco lead smelter in East Helena, Montana was characterized by X-ray absorption spectroscopy (XAS). Arsenic oxidation state and geochemical speciation were analyzed as a function of depth (two sampling sites) and surface distribution. These results were compared with intensive desorption/dissolution experiments performed in a pH stat reactor for samples from the site with the highest degree of As heterogeneity. The objectives of the study were to investigate the solid-phase geochemical As speciation, assess the speciation of As in solutions equilibrated with the solids under controlled pH (pH=4 or 6) and Eh (using hydrogen or air) environments, observe the effects of phosphate on the release of As into solution, and examine the effects of phosphate on metal mobility in the systems. Arsenic was predominantly found in the As(V) valence state, though there was evidence that As(III) and As(0) were present also. The dominant geochemical phase ...

International Nuclear Information System (INIS)

Results of an augmented-plane-wave calculation of the positron lifetime and the angular-correlation curves for aluminum, both in the vacancy-free crystal and in the crystal with a vacancy, are presented. The environment of the vacancy was simulated by a face-centered-cubic supercell with a volume 27 times that of the standard primitive unit cell of the Al lattice. The calculated positron-vacancy binding energy is 3.36 eV at room temperature. The temperature dependences of the trapping potential, the positron-vacancy binding energy, and the positron lifetime both in the Bloch state and in the vacancy-trapped state, associated only with the static thermal expansion of the lattice, have been calculated. It is found that the fractional increase in positron lifetime in the Bloch state is only approx.80% of the fractional increase in the volume of the lattice. The lifetime in the vacancy-trapped state is also found to vary with temperature, showing a fractional increase of approx.50% of the ...

CERN Document Server

The Inner Model Hypothesis (IMH) and the Strong Inner Model Hypothesis (SIMH) were introduced by the first author in ``Internal consistency and the inner model hypothesis'', Bulletin of Symbolic Logic, December 2006. In this article we establish some upper and lower bounds for their consistency strength.

Science.gov (United States)

This 1978 annual report contains the results of ''Seismic testing of Wolsung-1 steam generator model'' which was initiated in 1977 as a part of a study on nuclear components testing. Model 78, improved version of Model 77 which did not take into account f...

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CERN Document Server

Multiphase reacting flows

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No abstract available.

Norwegian Open Research Archives (NORA)

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Norwegian Open Research Archives (NORA)

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Czech Academy of Sciences Repository

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Energy Technology Data Exchange (ETDEWEB)

In recent years the modelling of interannual climate variability has been studied, the atmospheric energy and water cycles, and climate simulations with the ECHAM3 model. In addition, the climate simulations of several models have been compared with special emphasis in the area of northern Europe

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processes, we construct a stochastic dynamic model for air- craft counts in ... Also , queueing models for the arrival of aircraft at ... A queueing model has also been used to study ...... Assignment and Aircraft-Sequencing Algorithms in Terminal ...

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This paper presents research work concerning the mathematical modelling of air pollution in the Athens basin. A mathematical model based on aerodynamics and conservation equations together with turbulence modelling in body-fitted coordinates is used to provide the necessary input information to a similar but more detailed (i.e. small scale) model around Athens. Both models consist of solving the full Navier-Stokes equations and take into account the precise topography of the region. Different roughness heights are used for sea, coastal regions and land. The smaller scale model makes use of a two-equation turbulence model ({kappa}-{epsilon}) and the large scale model assumes a constant turbulence viscosity. The pollutant sources used in these models are based on actual emissions in the Athens area and ...

CERN Document Server

This paper presents a model of the dynamics of the wage income distribution.

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... 1]. Results and Discussion A cross section of liquid feed direct borohydride fuel cell model was created and studied. The ...

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... Lincoln Laboratory Distribution Models for Optical Scintillation Due to Atmospheric Turbulence RR Parenti RJ Susiela Group 107 ...

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Non-linear autoregressive Markov regime-switching models are intuitive. Time-series approaches for the modelling of electricity spot prices are frequently proposed. In this paper, such models are compared with an ordinary linear autoregressive model with regard to their forecast performances. The study is carried out using German daily spot-prices from the European Energy Exchange in Leipzig. Four non-linear models are used for the forecast study. The results of the study suggest that Markov regime-switching models provide better forecasts than linear models. (author)

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... 3 Joint Committee on Atomic Energy as a Model . . . . . ... Joint Committee on Atomic Energy as a Model Page 8. CRS-4 ...

CERN Document Server

The concept of frailty offers a convenient way to introduce unobserved heterogeneity and associations into models for survival data. In its simplest form, frailty is an unobserved random proportionality factor that modifies the hazard function of an individual or a group of related individuals. "Frailty Models in Survival Analysis" presents a comprehensive overview of the fundamental approaches in the area of frailty models. The book extensively explores how univariate frailty models can represent unobserved heterogeneity. It also emphasizes correlated frailty models as extensions of

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 ...

Energy Technology Data Exchange (ETDEWEB)

A detailed component-based simulation model of a geothermal heat pump system has been calibrated to monitored data taken from a family housing unit located at Fort Polk, Louisiana. The simulation model represents the housing unit, geothermal heat pump, ground heat exchanger, thermostat, blower, and ground-loop pump. Each of these component models was tuned to better match the measured data from the site. These tuned models were then interconnected to form the system model. The system model was then exercised in order to demonstrate its capabilities.

British Library Electronic Table of Contents (United Kingdom)

This paper introduces a new way of estimating parameters in a Brownian motion regime switching asset model to incorporate volatility clustering. The regime switching model is then applied to pricing of up-and-in barrier call options. We take the probability of crossing the barrier between simulation points into account, and we increase accuracy in simulations by importance sampling. The regime switching model is compared to the Normal Inverse Gaussian model and the traditional Black-Scholes model, and option prices from the regime switching model are compared to the closed form expression of up-and-in barrier calls in a Black-Scholes market.

International Nuclear Information System (INIS)

An integrated approach to the modelling of hydrogen assisted failure in 316L steel is presented. The approach includes experimental, fractographic, numerical and theoretical analysis of the phenomenon. The physical adequacy of the mechanical models of hydrogen embrittlement (notch extension model and notch cracking model) is discussed by comparing the virtual damage depth (theoretical) predicted by the models with the embrittled zone (microphysical) measured in the fractographic analysis by scanning electron microscopy. In addition, a numerical modelling of hydrogen diffusion is performed, concluding that bulk diffusion is not important in hydrogen embrittlement of 316L steel, so that hydrogen transport accelerated by the microdamage itself should be taken into account. (orig.)

International Nuclear Information System (INIS)

The SMART (System-integrated Modular Advanced ReacTor) which is a 330 MWt advanced integral PWR was developed by the KAERI (Korea Atomic Energy Institute) for electricity generation and seawater desalination. A thermal hydraulic evaluation and analysis of the SMART is performed by the TASS /SMR-S (Transient And Setpoint Simulation/System integrated Modular Reactor-Safety). The TASS/SMR-S code has various models reflecting the design features of the SMART such as the drift flux model, the core models (core power and core heat transfer model), the component models, and the specific models. One of the core models is the core heat transfer model. The role of this model is to calculate the heat flux and radial temperature profiles at a fuel rod surface using the relevant heat transfer correlations for all ...

CERN Document Server

A class of nonlinear models combining a pharmacokinetic compartmental model and a pharmacodynamic Emax model is introduced. The locally D-optimal (LD) design for a four-parameter composed model is found to be a saturated four-point uniform LD design with the two boundary points of the design space in the LD design support. For a five-parameter composed model, a sufficient condition for the LD design to require the minimum number of sampling time points is derived. Robust LD designs are also investigated for both models. It is found that an LD design with $k$ parameters is equivalent to an LD design with $k-1$ parameters if the linear parameter in the two composed models is a nuisance parameter. Assorted examples of LD designs are presented.

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Stylized numerical models of the tooth are usually employed in qualification procedure related to Electronic Paramagnetic Resonance in long-term accidental contamination dose reconstruction. In this work a voxel model was developed from the microCT image data set of a human non contaminated molar tooth. A stylized model, reproducing the characteristics of the voxel model, was also created in order to investigate the level of accuracy that can be obtained in this kind of study.

International Nuclear Information System (INIS)

This document generates a supernatant hydroxide ion depletion model based on mechanistic principles. The carbon dioxide absorption mechanistic model is developed in this report. The report also benchmarks the model against historical tank supernatant hydroxide data and vapor space carbon dioxide data. A comparison of the newly generated mechanistic model with previously applied empirical hydroxide depletion equations is also performed.

DEFF Research Database (Denmark)

In this paper we present a modeling framework for analyzing computer models with two types of variations. The paper is based on a case study of an orthopedic surgical unit, which has both controllable and uncontrollable factors. Our results show that this structure of variation can be modeled effectively with linear mixed effects models and generalized additive models. Copyright (C) 2009 John Wiley & Sons, Ltd.

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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 phosphate in which ...

CERN Document Server

Tree-level scattering amplitudes of longitudinally polarized electroweak vector bosons in the Standard Model are calculated using Mathematica package Feyncalc. The modifications of low-energy theorems for longitudinally polarized W and Z in the Standard Model are discussed.

Science.gov (United States)

... Results of Source Emissions Testing UTC Fuel Cell Model PC25C ... Results of Source Emissions Testing: UTC Fuel Cell Model PC25C ...

International Nuclear Information System (INIS)

We obtain a symmetry algebra for any unitary minimal model by using the representation of conformal field theories. This symmetry algebra can be interpreted as a quantum group. The generalization to non-unitary minimal models is direct. (orig.).

UK PubMed Central (United Kingdom)

SummaryWe develop a new class of models, dynamic conditionally linear mixed models, for longitudinal data by decomposing the within-subject covariance matrix using a special Cholesky...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The report provides and overview of calculation models for the simulation of airflows and deals comprehensively with field and multi-zone models as well as the coupling of individual zone and multi-zone models. Examples of calculations are given. figs., tabs., refs.

UK PubMed Central (United Kingdom)

A new 3D model is developed to simulate the self-oscillation of the elongated vocal folds. This model allows for large deformation and longitudinal displacement. The displacement boundary condition...Full Text Available

UK PubMed Central (United Kingdom)

New habitat-based models for spread of hantavirus are developed which account for interspecies interaction. Existing habitat-based models do not consider interspecies pathogen transmission,...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Volume VI of the documentation for the Phase I Data Analysis Task performed in support of the current Regional Flow Model, Transport Model, and Risk Assessment for the Nevada Test Site Underground Test Area Subproject contains the groundwater flow model data. Because of the size and complexity of the model area, a considerable quantity of data was collected and analyzed in support of the modeling efforts. The data analysis task was consequently broken into eight subtasks, and descriptions of each subtask's activities are contained in one of the eight volumes that comprise the Phase I Data Analysis Documentation.

International Nuclear Information System (INIS)

Geochemical model is a kind of concept model which describes geochemical processes by means of chemical reaction equations and mathematical formula, and the software based on the concept model are called geochemical modeling code. Geochemical modeling codes can be divided into three categories: mass equilibrium, mass transfer and mass transport code. The major functions of geochemical codes include the calculation of forms of occurrence of elements, the prediction of direction of various geochemical reaction, the dissolution and precipitation of elements, the pH and Eh value, the rate and path of geochemical reaction in aqueous solution.

Energy Technology Data Exchange (ETDEWEB)

In this letter, they present the results on a global fit to precision electroweak data in a Higgs triplet model. In models with a triplet Higgs boson, a consistent renormalization scheme differs from that of the Standard Model and the global fit shows that a light Higgs boson with mass of 100-200 GeV is preferred. Triplet Higgs bosons arise in many extensions of the Standard Model, including the left-right model and the Little Higgs models. The result demonstrates the importance of the scalar loops when there is a large mass splitting between the heavy scalars. It also indicates the significance of the global fit.

Science.gov (United States)

pletely new PW fuel cell model had to be developed for CINDA. Several ...... following linear equation, which is used in the SINDA fuel cell model: ...

Science.gov (United States)

... 13 2.4 Inertial Navigation Error Model . . . . . ... sources such as electrical noise, thermal noise, etc. 2.4 Inertial Navigation Error Model ...

British Library Electronic Table of Contents (United Kingdom)

Abstract We present a study of the impact of different model groups in the detection of circumstellar debris discs. Almost all previous studies in this field have used kurucz (atlas9) model spectra to predict the stellar contribution to the flux at the wavelength of observation, thus determining the existence of a disc excess. Only recently have other model groups or families like marcs and nextgen (phoenix) become available to the same extent as atlas9. This study aims to determine whether the predicted stellar flux of a disc target can change with the choice of model family can a disc excess be present in the use of one model family whilst being absent from another. A simple comparison of kurucz model spectra with marcs and nextgen model spectra of identical stellar parameters was conduc...

International Nuclear Information System (INIS)

We argue that the tachyons which exist in some string models are a signal of deconfinement. We compare the deconfinement temperature obtained from Monte Carlo calculations with some string models. (orig.).

Energy Technology Data Exchange (ETDEWEB)

A strong necessary condition is given for the principal stabiliser of the action of a compact Lie group to have a non-zero centre. An application to the monopole problem in Yang-Mills-Higgs models is discussed.

Science.gov (United States)

... CycleSim models an IBM PowerPC 405GP system-on-a-chip and includes a cycle-accurate, event-based power model of the processor core and ...

International Nuclear Information System (INIS)

The basic relationships of the convolution/superposition dose calculation technique are reviewed, and a modelling technique that can be used for obtaining a satisfactory beam model for a commercially available convolution/superposition-based treatment planning system is described. A fluence energy spectrum for a Co-60 treatment machine obtained from a Monte Carlo simulation was used for modelling the fluence spectrum for a Rokus M machine. In order to achieve this model we measured the depth dose distribution and the dose profiles with a Wellhofer dosimetry system. The primary fluence was iteratively modelled by comparing the computed depth dose curves and beam profiles with the depth dose curves and crossbeam profiles measured in a water phantom. The objective of beam modelling is to build a model of the primary fluence that the patient is ...

UK PubMed Central (United Kingdom)

In this paper, we suggest that perception could be modeled by assuming that sensory input is generated by a hierarchy of attractors in a dynamic system. We describe a mathematical model which exploits...Full Text Available

Science.gov (United States)

The propeller governor model adjusts propeller pitch, p, in order to provide constant shaft RPM. ... Block Diagram of Propeller Governor Model ...

British Library Electronic Table of Contents (United Kingdom)

A microcosm laboratory experiment was conducted to determine the impact of biological reworking by the ragworm Nereis diversicolor on the redistribution of particle-bound radionuclides deposited at the sediment-water interface. Over the course of the 40-day experiment, as much as 35% of a 137Cs-labelled particulate tracer deposited on the sediment surface was redistributed to depths of up to 11 cm by the polychaete. Three different reworking models were employed to model the profiles and quantify the biodiffusion and biotransport coefficients: a gallery-diffuser model, a continuous sub-surface egestion model and a biodiffusion model. Although the biodiffusion coefficients obtained for each model were quite similar, the continuous sub-surface egestion model provided the best fit to the data...

British Library Electronic Table of Contents (United Kingdom)

The aim of this work is the development and experimental validation of a detailed dynamic fuel cell model using the gPROMS modeling environment. The model is oriented towards optimization and control and it relies on material and energy balances as well as electrochemical equations including semi-empirical equations. For the experimental validation of the model a fully automated and integrated hydrogen fuel cell testing unit was used. The predictive power of the model has been compared with the data obtained during load change experiments. A sensitivity analysis has been employed to reveal the most critical empirical model parameters that should be estimated using a systematic estimation procedure. Model predictions are in good agreement with experimental data under a wide range of operati...

Energy Technology Data Exchange (ETDEWEB)

The present volume on modeling of batteries and fuel cells discusses the significance of the effectiveness factor for flooded porous electrodes, active pore distribution spectroscopy for characterizing porous battery electrodes, the agglomerate model for porous electrodes, and dynamic-performance measurements of battery cells for electric vehicles and other applications. Attention is given to mathematical modeling of a primary zinc/air battery, mathematical modeling of Grace Li-TiS2 cells, modeling of electrocrystallization processes in battery systems, and rotating disk electrode studies in molten Li/K carbonate eutectic. Topics addressed include the variability of nickel oxide cathode dissolution in molten carbonate fuel cells, water transport properties of fuel cell ionomers, modeling water content effects in polymer electrolyte fuel cells, and computer ...

Science.gov (United States)

This paper proposes an approach that mitigates the problem of verification of network security system properties over concurrent processes.

CERN Document Server

In undirected graphical models, learning the graph structure and learning the functions that relate the predictive variables (features) to the responses given the structure are two topics that have been widely investigated in machine learning and statistics. Learning graphical models in two stages will have problems because graph structure may change after considering the features. The main contribution of this paper is the proposed method that learns the graph structure and functions on the graph at the same time. General graphical models with binary outcomes conditioned on predictive variables are proved to be equivalent to multivariate Bernoulli model. The reparameterization of the potential functions in graphical model by conditional log odds ratios in multivariate Bernoulli model offers advantage in the representation of the conditional independence ...

UK PubMed Central (United Kingdom)

An acute exudative Escherichia coli pyelonephritis rat model was used to study the influence of progressive pyelonephritis on the efficacy of antibiotic treatment. In this model, transient ureteral...Full Text Available

Science.gov (United States)

... 2.5.6 Development of Observation Equations . . . . . 25 2.6 Inertial Navigation Error Model . . . . . ... 2 , as expected. 2.6 Inertial Navigation Error Model ...

Science.gov (United States)

note that this form for heat transfer augmentation has apparently never been used with other evaporation models, even though it is a natural extension of ...

Science.gov (United States)

Sep 1, 2011 ... Estimating Travel Cost Model: Spatial Approach. In: Annual Meetings of the American Agricultural Economics Association. ...

UK PubMed Central (United Kingdom)

We develop and investigate numerically a thermodynamically consistent model of two-dimensional multicomponent vesicles in an incompressible viscous fluid. The model is derived using an energy...Full Text Available

CERN Document Server

Model selection aims to determine which theoretical models are most plausible given some data, without necessarily asking about the preferred values of the model parameters. A common model selection question is to ask when new data require introduction of an additional parameter, describing a newly-discovered physical effect. We review several model selection statistics, and then focus on use of the Bayesian evidence, which implements the usual Bayesian analysis framework at the level of models rather than parameters. We describe our CosmoNest code, which is the first computationally-efficient implementation of Bayesian model selection in a cosmological context. We apply it to recent WMAP satellite data, examining the need for a perturbation spectral index differing from the scale-invariant (Harrison-Zel'dovich) case.

UK PubMed Central (United Kingdom)

Introduction:The purpose of this study was to utilize an in vitro biofilm model of subgingival plaque to investigate resistances in subgingival biofilm...Full Text Available

International Nuclear Information System (INIS)

In the safety assessment of a high-level radioactive waste (HLW) disposal system, it is required to estimate radiological impacts on future human beings arising from potential radionuclide releases from a deep repository into the surface environment. In order to estimated the impacts, a biosphere model is developed by reasonably assuming radionuclide migration processes in the surface environment and relevant human lifestyles. It is important to modify the present biosphere models or to develop alternative biosphere models applying the biosphere models according to quality and quantify of the information acquired through the siting process for constructing the repository. In this study, alternative biosphere models were developed taking geosphere-biosphere interface of marine environment into account. Moreover, the flux to dose conversion factors calculated by these alternative ...

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The neutron star parameters in the model extended by the inclusion of {delta} meson and additional nonlinear vector meson interactions are studied.

UK PubMed Central (United Kingdom)

In this model, without dark matter, the flat rotation curves of galaxies and the mass-to-light ratios of clusters of galaxies are described quantitatively. The hypothesis is that the agent of gravitational...Full Text Available

Science.gov (United States)

May 31, 2011 ... A Theoretical Solid Oxide Fuel Cell Model for System Controls and Stability Design AUTHOR(S): Kopasakis, George; Brinson, Thomas; Credle, ...

CERN Document Server

Starting from the Plebanski formulation of gravity as a constrained BF theory we propose a new spin foam model for 4d Riemmanian quantum gravity that generalises the well-known model of Barrett-Crane and resolves the ultralocality problem that this model is known to possess. It is well known that the BF formulation of 4d gravity possesses two sectors: one corresponding to gravity and the other topological. The model presented here is shown to give a quantisation of the gravitational sector. The present model is dual to the recently proposed spin foam model of Engle et al. which, we show, corresponds to the topological sector of the theory. One important outcome of our approach is that it also allow us to introduce the Immirzi parameter into the framework of spin foam quantisation. We generalize some of our considerations to the Lorentzian setting and obtain a ...

Science.gov (United States)

... Accession Number : ADA539720. Title : A Hybrid Kinetic Model of Asymmetric Thin Current Sheets with Sheared Flows in a Collisionless Plasma. ...

Energy Technology Data Exchange (ETDEWEB)

The thesis describes work undertaken as part of a larger remote sensing based project which aims to detect, measure and monitor coal fires in two test areas in northern China. The first main topic addressed in this thesis is the detection of fires using several different thermal remote sensing data sets. The synergistic use of the different data sets is emphasised. The second major part of the thesis deals with thermal modelling of the coal fires. Three different models are developed, which allow a fire's depth, temperature, extent, total heat output and rate of movement to be determined. The models are tested both in the laboratory and using various field data sets. A model based on the assumption that the fire is a point heat source and that the temperature distribution around it is spherically symmetrical is shown to be the most effective. A simpler, one-dimensional coal fire ...

International Nuclear Information System (INIS)

A numerical study of a natural convection in a rectangular cavity with the low-Reynolds-number differential stress and flux model is presented. The primary emphasis of the study is placed on the investigation of the accuracy and numerical stability of the low-Reynolds-number differential stress and flux model for a natural convection problem. The turbulence model considered in the study is that developed by Peeters and Henkes (1992) and further refined by Dol and Hanjalic (2001), and this model is applied to the prediction of a natural convection in a rectangular cavity together with the two-layer model, the shear stress transport model and the time-scale bound #upsilon#"2-f model, all with an algebraic heat flux model. The computed results are compared with the experimental data commonly used for the validation of the ...

CERN Document Server

Warm-intermediate inflationary universe models in the context of braneworld cosmologies, are studied. This study is done in the weak and strong dissipative regimes. We find that, the scalar potentials and dissipation coefficients in terms of the scalar field, evolves as type-power-law and powers of logarithms, respectively. General conditions required for these models to be realizable are derived and discussed. We also study the scalar and tensor perturbations for each regime. We use recent astronomical observations to constraint the parameters appearing in the braneworld models.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Science.gov (United States)

... Descriptors : *QUEUEING THEORY, *APPROXIMATION ... MODELS, OPTIMIZATION, STOCHASTIC PROCESSES ... Categories : TERMINAL FLIGHT ...

KoreaScience (Korea)

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KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

Quark-hadron duality and its potential applications are discussed. We focus on theoretical efforts to model duality.

Science.gov (United States)

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KoreaScience (Korea)

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CERN Document Server

We study the dynamics of the scalar tensor cosmological model in the presence of tachyon field. In an alternative approach, in two exponential and power law form of the scalar field functions in the model, field equations are solved by simultaneously best fitting the model parameters with the most recent observational data. This approach gives us an observationally verified interpretation of the dynamics of the universe. We then discuss the best fitted of equation of state parameter, the statefinder parameters and the reconstructed scalar field in the model.

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KoreaScience (Korea)

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Environmental Research Database

DescriptionChanges in glacier mass balance are critically influenced by the distribution of snow accumulation at the start of the melt season, but models of the winter season lag seriously behind those of the melt season. The overall aim is to test physically-based models of the spatial and temporal evolution of the winter snowpack at a temperate ice cap (Langjokull, Iceland), to assess how effectively and also how efficiently they capture variation in winter accumulation. A three-step modelling approach i [continued...

International Nuclear Information System (INIS)

The Finnish simulation code APROS and especially its 5-equation model is applied to modelling the horizontal steam generator. Different nodalizations are used in the secondary side of different models. Simulation results of the stationary state run are compared with results of RELAP5/MOD2 calculations and with an experimental plant data. (2 refs., 3 figs., 4 tabs.).

Energy Technology Data Exchange (ETDEWEB)

The precipitation of excess silicon interstitials into dislocation loops is modeled. This situation occurs when an amorphous layer is created at the surface in order to avoid boron channeling and form shallow p junctions. The modeling of the nucleation of these extended defects is included into the process simulator IMPACT-4. Their density and mean radius are calculated for several annealing times and temperatures and they are compared with experimental characterizations. This is the first step towards a full modeling of the complex processes involved in the transient enhanced diffusion of boron.

Energy Technology Data Exchange (ETDEWEB)

Due to their good hydraulic characteristic semi-axial pump turbines are used in the medium head range of pumped storage plants. This paper describes model tests performed on a semiaxial pump turbine model and shows the results of these tests. The aim of the model tests was the optimization of the hydraulic water passage, the measurement of the hydraulic characteristics over the whole operating range, the investigation of the cavitation behaviour, the investigation of the hydraulic forces and torques as well as the proof of the values guaranteed to the customer.

Energy Technology Data Exchange (ETDEWEB)

A mathematical model is proposed for three-phase filtering which is a particular case of a more general model of filtering multiple component mixtures and makes it possible to describe three-phase filtering flows under conditions where the pressure of saturation is variable in time and in space. In the proposed model, the system of unknown functions is selected so that it makes it possible to trace fairly simply the pressure of saturation and to compute the corresponding equation coefficients.

British Library Electronic Table of Contents (United Kingdom)

ABSTRACT Extending the unified theory of acceptance and use of technology (UTAUT) model, this study postulates a model of online social support. The model is empirically tested using data from undergraduates in Taiwan regarding their usage of instant messaging (IM). The test results indicate that all model paths are significant, except that the path between online social support and facilitating conditions is insignificant. This study offers limitations and implications.

International Nuclear Information System (INIS)

The field algebra of the minimal models of W-algebras is amenable to a very simple description as a polynomial algebra generated by a few elementary fields, corresponding to order parameters. Using this description, the complete Landau-Ginzburg lagrangians for these models are obtained. Perturbing these lagrangians we can explore their phase diagrams, which correspond to multicritical points with D_n symmetry. In particular, it is shown that there is a perturbation for which the phase structure is similar to that of the IRF models of Jimbo et al. (orig.).

CERN Document Server

Introduction to electroweak unification

Energy Technology Data Exchange (ETDEWEB)

The possibility of having inflation in a renormalizable cosmological model is investigated. The cosmic no-hair conjecture is proved to hold for all Bianchi types except Bianchi type IX. By the use of a conformal transformation on the metric we show that these models are equivalent to the ones described by the Einstein-Hilbert action for gravity minimally coupled to a set of scalar fields with inflationary potentials. Henceforth, we prove that inflationary solutions behave as attractors in solution space, making it a natural event in the evolution of such models.