KoreaScience (Korea)

Full Text Available

International Nuclear Information System (INIS)

Augmented plane wave calculation of gadolinium electronic structure crystallized in a hexagonal close-packed lattice is carried out.

Energy Technology Data Exchange (ETDEWEB)

Fuel irradiation leads to a swelling resulting from the formation of gaseous (Kr, Xe) or solid fission products which are found either in solution or as solid inclusions in the matrix. This phenomena has to be evaluated to be taken into account in fuel cladding Interaction. Fuel swelling was studied as a function of burn up by measuring the corresponding cell constant evolution by X-Ray diffraction. This study was realized on Mixed Oxide Fuels (MOX) irradiated in a Pressurized Water Reactor (PWR) at different burn-up for 3 initial Pu contents. Lattice parameter evolutions were followed as a function of burn-up for the irradiated fuel with and without an annealing thermal treatment. These experimental evolutions are compared to the theoretical evolutions calculated from the hard sphere model, using the fission product concentrations determined by the APPOLO computer code. Contribution of varying parameters influencing the ...

Energy Technology Data Exchange (ETDEWEB)

A novel direct calculation method of response matrices on heterogeneous lattices by using the Monte Carlo method is proposed. These direct response matrices (DRMs) can be used in core calculations in place of the conventional homogenized lattice constants. The DRMs are formalized by four sub response matrices (sub-RMs) in order to respond to a core eigenvalue, k; thus the DRMs can be re-evaluated on each outer iteration in the core calculations. The sub-RMs can be evaluated by analyzing each neutron's trajectory from ordinary lattice calculations with the Monte Carlo code. Since these sub-RMs are calculated directly under an actual complex assembly geometry, i,e., without a homogenization process, intra-assembly heterogeneous effects can be reflected on global partial current balance ...

International Nuclear Information System (INIS)

This study aims to investigate the difference in the interaction of antimicrobial peptides with two classes of zwitterionic peptides, phosphatidylethanolamines (PE) and phosphatidylcholines (PC). Further experiments were performed on model membranes prepared from specific bacterial lipids, lipopolysaccharides (LPS) isolated from Salmonella minnesota. The structure of the lipid-peptide aqueous dispersions was studied by small-and wide-angle X-ray diffraction during heating and cooling from 5 to 85 C. The lipids and peptides were mixed at lipid-to-peptide ratios 10-10000 (POPE and POPC) or 2-50 (LPS). All experiments were performed at synchrotron soft condensed matter beamline A2 in Hasylab at Desy in Hamburg, Germany. The phases were identified and the lattice parameters were calculated. Alamethicin and melittin interact in similar ways with the lipids. Pure POPC forms only lamellar phases. POPE forms lamellar phases at low temperatures that ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

Based on theoretical calculations of powder diffraction data it is shown that the assumption of the infinite crystal lattice for small particles is not justified, leads to significant changes of the diffraction patterns, and may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter', alp, is proposed. (author)

Energy Technology Data Exchange (ETDEWEB)

In this paper we discuss the effect on the emittance of the residual dispersion in the insertion devices. The dispersion in the straights could be generated by the lattice error, trim dipole, and insertion device. The effect on the emittance is examined, and the dispersion tolerances are given for the NSLS-11.

International Nuclear Information System (INIS)

In this study the results of mathematical simulation and experimental research of texture transition in stress assisted shear phase transformations are discussed. The orientation distribution function (ODF) calculation model to the any type crystalline lattice symmetry materials has been suggested. By crystalline lattice symmetry analysis this computer program determines necessary amount of the initial experimental data. The experimental verification supports this model well. The ODF calculation model after shear phase transformation with equal use of all possible variants of orientation relationship or with various degrees of variant selection worked out. In this study the experimental and calculating data of the direct and reversal shear transformations #alpha# <=> #gamma# in Fe-alloys and B2 <=> B19' in Ti-Ni alloys are discussed. The stress assisted shear phase ...

CERN Document Server

We calculate the light `glueball' mass spectrum in N_f=2 lattice QCD using a fermion action that is non--perturbatively O(a) improved. We work at lattice spacings a~0.1 fm and with quark masses that range down to about half the strange quark mass. We find the statistical errors to be moderate and under control on relatively small ensembles. We compare our mass spectrum to that of quenched QCD at the same value of a. Whilst the tensor mass is the same (within errors), the scalar mass is significantly lighter in the dynamical lattice theory, by a factor of ~0.84 +/- 0.03. We discuss what the observed m_q dependence of this suppression tells us about the dynamics of glueballs in QCD. We also calculate the masses of flux tubes that wind around the spatial torus, and extract the string tension from these. As we decrease the quark mass we see a small but growing vacuum expectation value ...

Energy Technology Data Exchange (ETDEWEB)

Rafting of the {gamma}/{gamma}{prime} morphology of nickel-base superalloys is a well-known phenomenon during high-temperature deformation. The initial stages of this type of directional coarsening were modeled two-dimensionally by the method of finite elements (FEs) using an energy-perturbation approach. In addition to the elastic energy density, the effect of the local difference of the hydrostatic stresses in {gamma} and {gamma}{prime} in combination with the different lattice parameters of the two phases was considered in the calculations as a further driving force. From the results of modeling, the deformation-induced internal stresses and strains were determined and used to evaluate the direction-dependent lattice parameters and lattice misfits of the two phases. The results agree well with experimentally determined values.

International Nuclear Information System (INIS)

Experimental data on A-15 binary phases (the lattice parameter dependence on composition, phase diagrams, etc.) have been considered and the so-called ''compounds with A-15 structure'' are shown to be solid solutions of element substitution in the structure of A-15 type. Values of lattice parameter and atomic volume of A-15 modifications for 21 elements have been obtained (for Zr, W, Nb, Mo, V in particular). There has been shown the possibility of calculation of atomic volumes and lattice parameters of A-15 binary phases at the lack of direct experimental data. The essential role of atomic volume relations of different phases has been observed for the estimation of stability conditions of A-15 phase.

International Nuclear Information System (INIS)

This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume II: Monte Carlo Calculations for Nuclear Reactors. In-Core Management of Four Reactor Types. In-Core Management in CANDU-PHW Reactors. Reactor Dynamics. The Theory of Neutron Leakage in Reactor Lattices. Index.

Energy Technology Data Exchange (ETDEWEB)

We calculate the S-wave scattering lengths for charmed mesons scattering off Goldstone bosons and explore their quark mass dependence using the chiral perturbation theory up to next-to-leading order as well as a unitarized version of it. The quark mass dependence of all scattering lengths determined in a recent lattice calculation can be reproduced by the unitarized version. We also discuss signals of possible bound states in these observables. (orig.)

Science.gov (United States)

In this paper the thermal equilibrium number of solitons in DNA as a function of absolute temperature and the number of base pairs is calculated. These calculations are effected by modeling DNA as a Toda lattice with parameters chosen to match experimentally measured properties of DNA. It is found that a significant number of solitons is generated at physiological temperature. 23 refs., 2 figs.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Gas hydrates are crystalline substances composed of water and gas, in which a solid-water-lattice accommodates gas molecules in a cage-like structure. Gas hydrates are globally widespread in permafrost regions and beneath the sea in sediment of outer continental margins. While methane, propane, and other gases can be included in the clathrate structure, methane hydrates appear to be the most common in nature. The amount of methane sequestered in gas hydrates is probably enormous, but estimates are speculative and range over three orders of magnitude from about 100,000 to 270,000,000 trillion cubic feet. The amount of gas in the hydrate reservoirs of the world greedy exceeds the volume of known conventional gas reserves. Gas hydrates also represent a significant drilling and production hazard. A fundamental question linking gas hydrate resource and hazard issues is: What is the volume of gas hydrates and included gas within a given gas hydrate ...

Energy Technology Data Exchange (ETDEWEB)

This study reports on the physical-chemical behaviour of swelling di-octahedral clays (smectites) and their interaction with aqueous solutions and bacteria (Shewanella putrefaciens). Experimental results are presented for compacted clays, hydrated under confined volume conditions, using a new type of reaction-cell (the 'wet-cell' of Warr and Hoffman, 2004) that was designed for in situ X-ray diffraction (XRD) measurement. For comparison, dispersed clay systems were studied using standard batch solutions subjected to varying degrees of agitation. The combination of time-dependent in situ XRD measurements with gravimetric measurements and calculated diffraction patterns using the CALCMIX software (Plancon and Drits, 1999) allowed to successful quantification of the dynamics of water uptake and storage. This analytical procedure combined with published water vapour adsorption data enabled determination of the ...

International Nuclear Information System (INIS)

Refractive indices of some mixed compound semiconductors below the bandgap are presented on the basis of some fundamental parameters and the effect of lattice mismatch on the refractive index step is also studied. The results help to design a variety of opto-electronic devices for the use in optical fiber communication and heterostructure lasers. The calculated values agree well with available experimental values thus justifying the approach. (author).

Energy Technology Data Exchange (ETDEWEB)

The theoretical treatment of the relation between the critical angle of planar channeling and the characteristics of crystal lattice defects is carried out. The predictions are made about some typical forms of the critical angle dependence on the mean-square static displacement produced by defects, and then these predictions are detailed for the cases of homogeneous disordering, spherical clusters of point defects and dislocation loops. Analytical results are supported by the exact computer calculations for the defects in the intermetallic A-15 compounds.

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 ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Using the constrained-curve fitting method and overlap fermions with the lowest pion mass at 180 MeV, we observe that the masses of the first positive and negative parity excited states of the nucleon tend to cross over as the quark masses are taken to the chiral limit. Both results at the physical pion mass agree with the experimental values of the Roper resonance (N{sup 1/2+}(1440)) and S{sub 11} (N{sup 1/2-}(1535)). This is seen for the first time in a lattice QCD calculation. These results are obtained on a quenched Iwasaki 16{sup 3}x28 lattice with a=0.2 fm. We also extract the ghost {eta}{sup '}N states (a quenched artifact) which are shown to decouple from the nucleon interpolation field above m{sub {pi}}{approx}300 MeV. From the quark mass dependence of these states in the chiral region, we conclude that spontaneously broken chiral symmetry dictates the dynamics of light quarks in the nucleon.

Energy Technology Data Exchange (ETDEWEB)

Using the constrained curve fitting method and overlap fermions with the lowest pion mass at 180 MeV, we observe that the masses of the first positive and negative parity excited states of the nucleon tend to cross over as the quark masses are taken to the chiral limit. Both results at the physical pion mass agree with the experimental values of the Roper resonance (N{sup 1/2+} (1440)) and S{sub 11} (N{sup 1/2-}(1535)). This is seen for the first time in a lattice QCD calculation. These results are obtained on a quenched Iwasaki 16{sup 3} x 28 lattice with a = 0.2 fm. We also extract the ghost {eta}{prime} N states (a quenched artifact) which are shown to decouple from the nucleon interpolation field above m{sub {pi}} {approx} 300 MeV. From the quark mass dependence of these states in the chiral region, we conclude that spontaneously broken chiral symmetry dictates the dynamics of light quarks in the nucleon.

CERN Document Server

We show how to obtain a fast component-by-component construction algorithm for higher order polynomial lattice rules. Such rules are useful for multivariate quadrature of high-dimensional smooth functions over the unit cube as they achieve the near optimal order of convergence. The main problem addressed in this paper is to find an efficient way of computing the worst-case error. A general algorithm is presented and explicit expressions for base~2 are given. To obtain an efficient component-by-component construction algorithm we exploit the structure of the underlying cyclic group. We compare our new higher order multivariate quadrature rules to existing quadrature rules based on higher order digital nets by computing their worst-case error. These numerical results show that the higher order polynomial lattice rules improve upon the known constructions of quasi-Monte Carlo rules based on higher order digital nets.

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)

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 ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The epithermal cross section shielding methods used in the lattice physics code EPRI-CELL (E-C) have been extensively studied to determine its major approximations and to examine the sensitivity of computed results to these approximations. The study has resulted in several improvements in the original methodology. These include: treatment of the external moderator source with intermediate resonance (IR) theory, development of a new Dancoff factor expression to account for clad interactions, development of a new method for treating resonance interference, and application of a generalized least squares method to compute best-estimate values for the Bell factor and group-dependent IR parameters. The modified E-C code with its new ENDF/B-V cross section library is tested for several numerical benchmark problems. Integral parameters computed by EC are compared with those obtained with point-cross section Monte Carlo calculations, and E-C fine group ...

Energy Technology Data Exchange (ETDEWEB)

In this paper the diffusion of tritiated water vapor into concrete walls is studied to evaluate tritiated water retention capacity of a fusion reactor concrete building. Using a model of the tritiated water diffusion determined form experimental results, depth profiles of tritiated water in concrete are calculated in the case of being exposed to air containing tritiated water vapor during the normal operational condition of a fusion reactor. A 0.5-m-thick concrete is sufficient for reactor hall walls from a viewpoint of the tritium containment.

International Nuclear Information System (INIS)

A combination of computer codes such as LATREP, HWRAXAV and CITATION is utilized in an attempt to analyze the nuclear design characteristics of the CAXDU-PHWR of the Wolsung Unit 1. The major nuclear properties to be computed are the lattice properties of CANDU fuel channel and the core channel power distribution. The computed results are compared with the preliminary safety reports documentation for the Wolsung reactor. The observed discrepancies between our computations and the preliminary safety reports values are discussed in terms of incomplete information on the description of the core configuration in the preliminary safety reports and the different calculation methods. (author).

Science.gov (United States)

gently constrain calculations of single-star evolution at high metallicity. Independent of SIM Lite observa- tions, we also propose to establish 4) how to ...

International Nuclear Information System (INIS)

A cell calculation code SLAROM-UF was developed to improve calculation accuracy of effective cross sections for various fast reactor types. SLAROM-UF has a capability to calculate effective cross sections in ultra fine groups of about 100,000 below 50keV and in fine groups above the energy (maximum 900 groups). Resonance interaction among the fuel, the coolant, and the structure materials can be treated accurately even in a heterogeneous cell structure. Temperature can be set up freely in a cell by the ultra fine group calculation. Improvement in nuclear characteristics was observed in the analysis of JUPITER critical experiment, as 0.1% for criticality, 4% for sodium void reactivity, several % for radial reaction rate distribution, when SLAROM-UF was used instead of the typical cell calculation code. The effect of the ultra fine group calculation is remarkable ...

Energy Technology Data Exchange (ETDEWEB)

Among the three modifications of calcium sulfite hemihydrate, two of them, hexagonal ..beta..-CaSO/sub 3/.1/2H/sub 2/O with a rhombohedral lattice and ..gamma..-CaSO/sub 3/.1/2H/sub 2/O with a simple triangular hexagonal lattice, were found in the authors' recent work. By heating ..cap alpha..- and/or ..gamma..-hemihydrate at 330-360/sup 0/C in a nitrogen atmosphere, the orthorhombic anhydrate ..cap alpha..-CaSO/sub 3/ was formed, with lattice constants of 6.472, 15.93, and 23.44 angstrom for a, b, and c respectively, while the body-centered tetragonal anhydrate ..beta..-CaSO/sub 3/, with lattice constants of 15.68 and 19.44 angstrom for a and c respectively, was formed by heating the ..beta..-hemihydrate. The dehydration of three hemihydrates and the hydration of two anhydrates were discussed. Calcium sulfite hemihydrate (CaSO/sub 3/.1/2H/sub 2/O) is useful as an architectural material since ...

Energy Technology Data Exchange (ETDEWEB)

The strongly localized one-electron (D{sup 0}) and two-electron (D{sup -}) donor states are considered with the lattice deformation around the donor center taken into account. For GaAs, donor energy levels have been calculated as functions of the hydrostatic pressure. The calculated energy positions and pressure coefficients agree with the experimental data. It is shown that the interaction with phonons reduces the probability of radiative transitions between the states of different localization and leads to the metastability of shallow-level donor states with respect to the D{sup -} state in GaAs and both the states (D{sup 0} and D{sup -}) in CdF{sub 2}. (author) 7 refs, 1 fig

International Nuclear Information System (INIS)

Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and 3.7 kcal/mol, respectively. To investigate ...

Science.gov (United States)

The electromagnetic properties of the baryon decuplet are calculated in quenched QCD on a 20{sup 3}x40 lattice with a lattice spacing of 0.128 fm using the fat-link irrelevant clover fermion action with quark masses providing a pion mass as low as 300 MeV. Magnetic moments and charge radii are extracted from the electric and magnetic form factors for each individual quark sector. From these, the corresponding baryon properties are constructed. We present results for the higher-order moments of the spin-3/2 baryons, including the electric-quadrupole moment E2 and the magnetic-octupole moment M3. The world's first determination of a nonzero M3 form factor for the {delta} baryon is presented. With these results we provide a conclusive analysis which shows that decuplet baryons are deformed. We compare the decuplet-baryon results from a similar lattice calculation of the octet ...

International Nuclear Information System (INIS)

The aim of this work was to compare dose calculation algorithm results at orthovoltage energies for a phantom composed of a bone slab in water. The calculation methods investigated were: no correction, ETAR, Batho, convolution/superposition and Monte Carlo. All algorithms calculated depth dose curves in a water phantom within 4% of experiment. However in the bone phantom, differences of over 40% between the No Correction / ETAR / Batho / Convolution and Monte Carlo results in the 1 cm thick bone slab were observed. These differences are predominantly because the algorithms do not account for the differing atomic number of the bone compared to water The increased dose to bone and the tissue adjacent to the bone interface should be considered when treating with orthovoltage photons. Copyright (1998) Australasian Physical and Engineering Sciences in Medicine

Energy Technology Data Exchange (ETDEWEB)

The temperature dependence of T/sub 1/ spin-lattice relaxation time on /sup 51/V, /sup 69/Ga, /sup 71/Ga and Knight shift on /sup 51/V and /sup 29/Si nuclei in polycrystalline V/sub 3/Si, V/sub 3/Ga, V/sub 3/Ge and in the monocrystal V/sub 3/Si in normal state is investigated. For V/sub 3/Si and V/sub 3/Ga a rapid growth (T/sub 1/T)/sup -1/ is observed with temperature decrease while for V/sub 3/Ge the maximum (T/sub 1/T)/sup -1/ at T approximately equal to 60 K has been found. The temperature dependence peculiarities have been discussed on the basis of theoretical models available and zone structure calculations for A-15 compounds. The T/sub 1/ anisotropy and possibility of its experimental discovery are considered. Anisotropic contribution in (T/sub 1/T)/sup -1/ and contributions of d states of different symmetries into the electron state density at the Fermi level are estimated for V/sub 3/Si from T/sub 1/ measurements.

CERN Document Server

There are several approaches to describe flows with particles e.g. Lattice-Gas Automata (LGA), Lattice-Boltzmann method (LBM) or smoothed particle hydrodynamics (SPH). These approaches do not use fixed grids on which the Navier-Stokes equations are solved via e.g. finite volume method. The flow is simulated using a multitude of particles or particle density distributions, which interacts and due to statistical laws and an even more fundamental approach than the Navier-Stokes equation, the averaged flow variables can be derived. After a short summary of the most popular particle methods the new DMPC (Dissipative Multiple Particles Collision) approach will be presented. The DMPC-model eliminates some of the weak points of the established particle methods and shows high potential for more accurate CFD solution especially in areas where standard CFD tools still have problems (e.g. aero-acoustics). The DMPC-model deals with discrete circular ...

Energy Technology Data Exchange (ETDEWEB)

The paper discusses two petrochemical selective oxidation reactions namely the practised formation of styrene (STY) and the desired oxidative functionalisation of propane. The present knowledge about the mode of operation of oxide catalysts is critically considered. The dehydrogenation of ethylbenzene (EB) should be described by an oxidehydration with water acting as oxidant. The potential role of the coke formed during catalytic reaction as co-catalyst will be discussed. Selective oxidation is connected with the participation of lattice oxygen mechanism which transforms unselective gas phase oxygen into selective oxygen. The atomistic description of this process is still quite unclear as well as the electron structural properties of the activated oxygen atom. The Role of solid state acidity as compared to the role of lattice oxygen is much less well investigated modern multiphase-multielement oxide (MMO) catalysts. The ...

Energy Technology Data Exchange (ETDEWEB)

The effect of heat transfer is described from heat exchange tubes of a horizontal steam generator on the distribution of primary water to the individual tubes of the tube bundle. It is shown that in a broad interval of mass flow rates and lengths of heat exchange tubes, the simplified method of calcualtion, i.e., calculation of the distribution of primary water into heat exchange tubes neqlecting the changes of physical properties of water along the heat exchange tubes, will yield sufficiently accurate results.

Energy Technology Data Exchange (ETDEWEB)

In order to practice a design-by-analysis of thermohydraulics design of BWR fuel rod bundles, the subchannel analysis would play a major role. There, the immediate concern is improvement in its predictive capability of CHF due in particular to the film dryout (boiling transition phenomena: BT) on the fuel rod surface. Constitutive equations in the subchannel analysis formulation are responsible for the quality of calculated results. The constitutive equations are a result of integration of the local and instantaneous description of two-phase flows over the subchannel control volume. In general, they are expressed in terms of subchannel-control-volume- as well as area-averaged two-phase flow state variables. In principle the information on local and instantaneous physical phenomena taking place inside subchannels must be counted for in the algebraic form of the equations on the basis of a more mechanistic modeling approach. They should include also influences of the ...

International Nuclear Information System (INIS)

In order to practice a design-by-analysis of thermohydraulics design of BWR fuel rod bundles, the subchannel analysis would play a major role. There, the immediate concern is improvement in its predictive capability of CHF due in particular to the film dryout (boiling transition phenomena: BT) on the fuel rod surface. Constitutive equations in the subchannel analysis formulation are responsible for the quality of calculated results. The constitutive equations are a result of integration of the local and instantaneous description of two-phase flows over the subchannel control volume. In general, they are expressed in terms of subchannel-control-volume- as well as area-averaged two-phase flow state variables. In principle the information on local and instantaneous physical phenomena taking place inside subchannels must be counted for in the algebraic form of the equations on the basis of a more mechanistic modeling approach. They should include also influences of the ...

Energy Technology Data Exchange (ETDEWEB)

The exchange charge model (ECM) of crystal field is utilized to provide the theoretical explanation of the ground state absorption and the excited state absorption observed for the octahedrally coordinated Ni{sup 2+} ions in the spinel MgAl{sub 2}O{sub 4}. The ECM enables modeling of the crystal field parameters (CFPs) for the impurity ions based on the crystal structure data of the host lattice. To ensure the reliability of the CFPs, the convergence of the CFP values with the increasing number of the coordination spheres taken into account in the ECM calculations is considered. The trigonal CFPs B{sub 2}{sup 0},B{sub 4}{sup 0}andB{sub 4}{sup -3} determined by the ECM, together with the appropriate Racah parameters B and C, serve as input to two crystal field analysis computer packages, which compute the energy level schemes within the whole 3d{sup 8} configuration. The cubic approximation utilizing only one CFP Dq is also discussed. Basic ...

Energy Technology Data Exchange (ETDEWEB)

We calculate the masses of the resonances D{sub s0}{sup *}(2317) and D{sub s1}(2460) as well as their bottom partners as bound states of a kaon and a D{sup (*)} - and B{sup (*)} -meson, respectively, in unitarized chiral perturbation theory at next-to-leading order. After fixing the parameters in the D{sub s0}{sup *}(2317) channel, the calculated mass for the D{sub s1}(2460) is found in excellent agreement with experiment. The masses for the analogous states with a bottom quark are predicted to be M{sub B{sup *}{sub s0}}=(5696{+-}40) MeV and M{sub B{sub s1}}=(5742{+-}40) MeV in reasonable agreement with previous analyses. In particular, we predict M{sub B{sub s1}}-M{sub B{sub s0}}{sup *}=46{+-}1 MeV. We also explore the dependence of the states on the pion and kaon masses. We argue that the kaon mass dependence of a kaonic bound state should be almost linear with slope about unity. Such a dependence is specific to the assumed molecular nature ...

International Nuclear Information System (INIS)

Previous flow regime studies have been for horizontal, vertical, and inclined pipe flow. As such, only a few studies have been performed on bundle geometries. The present paper examines the flow regimes for a vertical hexagonal flow channel with and without a finned fuel bundle. This type of a 36 finned rod hexagonal fuel bundle in parallel hexagonal flow channels is used in a MAPLE (Multi- purpose Applied Physics Lattice Experimental) type nuclear reactor. An experiment apparatus was designed consisting of the flow channel, inlet plenum and an air-water separator. The inlet plenum is used to provide a uniform mixture of air and water before entering the hexagonal flow channel. A turbine flow meter is used to determine the water flow rate. The turbine flow meter is calibrated for a low flow range and limits the measurable flow to 50 l/min. Flow pattern observation is determined by a SONY video camera, ...

Energy Technology Data Exchange (ETDEWEB)

The pitting behavior of Alloy 800 was investigated as a function of temperature and prefilming in high temperature water. The pitting behavior was characterized in terms of the pitting potential and the pit density. The pitting potential decreases with increasing temperature and chloride activity. Prefilming of test coupons over a time period between 100 and 5,000 hours in ammoniated water at 300 C has no apparent influence on the pitting potential at room temperature, 180 C and 300 C. However, the number of pits in prefilmed coupons is much higher than in coupons covered with an air passive layer. The effect of prefilming on pit nucleation was investigated in more detail with regard to a model and test methods developed by Bianchi and co-workers. Density of pits in prefilmed coupons is at least one order of magnitude higher than in air passive coupons. Maximum pit density was measured after a prefilming period of 1 00 hours. The effect is ...

International Nuclear Information System (INIS)

As a three-year joint university-industry effort, development of a generalized boiling transition analysis method has been started in 2002 aiming at enhanced capabilities of subchannel analysis for a wide variety of BWR-type fuel bundle geometry from ordinary BWR to tight lattice fuel bundles. For this purpose, five dominant factors affecting boiling transition phenomena have been identified on which our efforts of experimentation and numerical analyses are focused. In this report, as the first-year achievement, we will describe a master plan of the development and contents for experimental approaches to construct thermal-hydraulic databases. The databases will be utilized for the developments of constitutive equations to describe the basic characteristics of the elementary processes. The planned experiments are divided into two groups. One is air-water experiments at atmospheric pressure, and the other is steam-water ...

International Nuclear Information System (INIS)

The humidification dehumidification desalination process is viewed as a promising technique for small capacity production plants. The process has several attractive features, which include operation at low temperature, ability to utilize sustainable energy sources, i.e. solar and geothermal, and requirements of low technology level. This paper evaluates the characteristics of the humidification dehumidification desalination process as a function of operating conditions. A small capacity experimental system is used to evaluate the process characteristics as a function of the flow rate of the water and air streams, the temperature of the water stream and the temperature of the cooling water stream. The experimental system includes a packed humidification column, a double pipe glass condenser, a constant temperature water circulation tank and a chiller for cooling water. The ...

Energy Technology Data Exchange (ETDEWEB)

Water vapor is well known to be a critical component in many aspects of atmospheric research, such as radiative transfer and cloud and aerosol processes. This requires both improved measurements of the columnar water vapor and its profiles in the atmosphere in a wide range of conditions, and adjustment of water vapor parameterizations in radiation codes including the perfection of spectroscopic parameters. In this paper we will present the results of comparison of our calculations and downward solar fluxes measured with Rotating Shadowband Spectroradiometer under conditions of horizontally homogeneous clouds. We also will discuss the sensitivity of atmospheric radiation characteristics to variations of water vapor in the band 940 nm: these results may be useful for development of new methods of retrieval of the total column water vapor content (WVC) in the ...

CERN Document Server

The work identifies the first lattice decoding solution that achieves, in the general outage-limited MIMO setting and in the high-rate and high-SNR limit, both a vanishing gap to the error-performance of the (DMT optimal) exact solution of preprocessed lattice decoding, as well as a computational complexity that is subexponential in the number of codeword bits. The proposed solution employs lattice reduction (LR)-aided regularized (lattice) sphere decoding and proper timeout policies. These performance and complexity guarantees hold for most MIMO scenarios, all reasonable fading statistics, all channel dimensions and all full-rate lattice codes. In sharp contrast to the above manageable complexity, the complexity of other standard preprocessed lattice decoding solutions is shown here to be extremely high. Specifically the work is first to quantify the complexity ...

International Nuclear Information System (INIS)

The structural and electronic properties of the A-15 compounds Nb_3Rh and Nb_3Ir were studied by means of escalar relativistic full-potential linearized augmented-plane wave (FP-LAPW) calculations with generalized gradient corrections. An investigation of the band structure of the hypothetical Nb_3Nb compound was also performed at the theoretical equilibrium lattice constant to ascertain the contribution of the nontransition elements on the B site in these A_3B-type compounds. Band structures and total densities of states were obtained. A rough estimate of the electron-phonon coupling parameter #lambda# as well as of the electronic specific-heat coefficient #gamma# were obtained for both Nb_3Rh and Nb_3Nb, which confirms that this latter is a low-temperature superconductor with T_c - 10K.

Energy Technology Data Exchange (ETDEWEB)

The microstructure evolution of nine samples from three Ir-base ternary systems, Ir-Nb-Hf, Ir-Nb-Ta, and Ir-Nb-Ti, was investigated by microstructure observation using scanning electron microscopy (SEM), composition map-analysis using electron probe microscopy analysis (EPMA), and phase determination using X-ray diffraction (XRD) patterns. The fcc/L1{sub 2} two-phase structure was detected in all the samples. Lattice misfits between fcc and L1{sub 2} phases were calculated. Ir-Nb-Ta and Ir-Nb-Ti alloys exhibited a microstructure quite similar to that of Ni-base superalloys, and the cuboidal L1{sub 2} precipitates in Ir-Nb-Ta and Ir-Nb-Ti alloys could maintain up to 1900 {sup o}C.

Energy Technology Data Exchange (ETDEWEB)

Epitaxial films grown pseudomorphically on substrates provide a way to stabilise non-equilibrium structures of materials. Obviously, there always is a certain lattice misfit between substrate and film material in its bulk equilibrium structure. In the pseudomorphic regime, this misfit can either lead to the growth of films in a strained bulk structure or even yield structures that are not stable in the bulk. Large misfits do not necessarily imply large lateral stress. Theory can help to predict e.g. geometry, stress and magnetic properties of pseusomorphically grown metal films. In this work, we considered the fcc-bcc epitaxial Bain path of 3d, 4d, and 5d transition metals, which provides a reasonable description of tetragonally distorted films on substrates. We carried out density functional calculations in the implementation of the full potential local orbital program package FPLO. Emphasis is put on similarities among the transition metals.

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

We present results of multiple-time-scale simulations of 5, 10 and 15 keV low temperature ion implantation of arsenic on silicon (100), followed by high temperature anneals. The simulations start with a molecular dynamics (MD) calculation of the primary state of damage after 10ps. The results are then coupled to a kinetic Monte Carlo (MC) simulation of bulk defect diffusion and clustering. Dose accumulation is achieved considering that at low temperatures the damage produced in the lattice is stable. After the desired dose is accumulated, the system is annealed at 800 degrees C for several seconds. The results provide information on the evolution for the damage microstructure over macroscopic length and time scales and affords direct comparison to experimental results. We discuss the database of inputs to the MC model and how it affects the diffusion process.

International Nuclear Information System (INIS)

Ultraveiolet spectroscopy of molecules in vapour phase gives valuable information about electronic structure of free molecules. But in many cases vaipour phase investigations are not possible and in order to isolate molecules within solid lattice, we used cryogenic temperature and high vacuum technology to study absorption spectrum within the spectral range (230-270)nm of an isolated benzene molecule in Argon, Krpton, Nitrogen, Carbon and methane matrices. The spectra shifts were measured and calculated in the matrix environment for the electronnic transition (B 24--A 19) in benzene molecule using the matrices mentioned above. Molar extinction coefficients and oscillator strength were measured too. (7 tabs., 32 figs., 50 refs.).

Energy Technology Data Exchange (ETDEWEB)

At present, two types of reactors, Pressurized Light Water Reactor(PLWR) and Pressurized Heavy Water Reactor(PHWR), are operating and under construction in Korea. They are much different in design concepts and inherent features from each other so that the calculation methods for Exclusion Area Boundary(EAB) are also different from each other. Thus, the domestic calculation methodology has been applied to PHWR, Wolsung 2, 3 and 4. In this report, the regulatory requirements and methodologies for EAB of Canadian methodology for EAB has been also investigated. It has been examined that the Canadian methodology which has been applied to the calculation of EAB of Wolsung 2, 3 and 4 can be said to be conservative enough compared to physical phenomena. 4 tabs., 3 figs., 22 refs. (Author).

International Nuclear Information System (INIS)

As part of the national survey to evaluate natural radioactivity in the environment, concentration levels of natural uranium and "2"2"6Ra have been analyzed in over 300 drinking water samples taken from different locations in Argentina. "2"2"6Ra was determined by "2"2"2Rn emanation and liquid scintillation counting, and natural uranium by a fluorimetric procedure. Values ranging from 0.03 to 24 #mu#g.l"-"1 of natural uranium and from 0.06 to 50 #mu#g.l"-"1, were measured on drinking water samples taken from tap water systems and private wells, respectively. Concentrations up to 15 mBq.l"-"1 and to 22 mBq.l"-"1 of "2"2"6Ra were found in drinking water samples taken from tap water systems and private wells, respectively. These values are compared with the reference values accepted for drinking water. Based on the water intake rate, the age ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

... chemical reactions high temperature lattice parameters microhardness

KoreaScience (Korea)

Full Text Available

British Library Electronic Table of Contents (United Kingdom)

The effects of pore curvature and surface heterogeneity on the adsorption of water on a graphitic surface at 298 K were investigated using a Grand Canonical Monte Carlo (GCMC) simulation. Slit and cylindrical pores are used to study the curvature effects. To investigate the surface heterogeneity the functional group and the structural defect on the surface were specifically considered. The hydroxyl group (OH) is used as a model for the functional group and the water potential model proposed by Muller et al. is used to calculate the water interaction. For the homogeneous cylinder, the pore filling occurs at a pressure lower than the saturation pressure of the water model, while it is greater in the case of homogeneous slit pore. The size of hysteresis loop is more sensitive to the length of...

International Nuclear Information System (INIS)

Real-time neutron radiography was demonstrated to be a viable and useful tool in studying water flow in unsaturated media. The experiment was designed to test the method for following water flow. The wetting front advance, water-flow patterns, and neutron attenuation density were observed in a 7.7-cm diameter sand column. The advance was fit with a simple i = A t/sup B/ equation yielding an excellent correlation. Theoretical calculations presented estimate the minimum and maximum detectable water content in various sizes of columns. The ability of real-time neutron radiography to allow both qualitative and quantitative spatial and time measurements to be made in an nonintrusive manner was demonstrated.

Energy Technology Data Exchange (ETDEWEB)

In this work, the thermodynamic behaviour of single-stage horizontal spray coolers with one or more spray levels is experimentally examined. Further, a spray cooler calculation model was developed, in order to describe the processes and to make a comparison of the results of calculation and measurement. The state of the mine climate and the cold water are taken as the thermodynamic reference. (orig.).

Energy Technology Data Exchange (ETDEWEB)

Numerical errors of PALLAS calculation due to spatial mesh sizes are examined for a typical deep penetration shielding problem of isotropic incident fission neutrons penetrating a 200-cm-thick water slab. The exponential approximation for the source spatial distribution to solve the transport equation based on the direct integration method is verified to be effective for radiation transport in attenuating medium, while the linear approximation employed in the old PALLAS code is found to produce large errors for calculations with large mesh sizes.

Science.gov (United States)

Results are given of numerical simulation of three-dimensional pattern of flow of a two-phase steam-water mixture in the house of a PGV-1000 horizontal steam generator obtained using the BAGIRA best-estimate thermohydrodynamic computer codes. The space distributions of velocities and local void fractions in the steam generator housing for different modes of operation of power-generating unit are calculated and compared with available experimental data.

International Nuclear Information System (INIS)

We assessed the age-related changes in magnetization transfer ratio (MTR) value and the ratio of water content in rat brain (frontal lobe and pons) during normal development. All studies were done on 42 normal Wistar rats. MTR was calculated by using the equation (M_o_f_f-M_o_n)/M_o_f_f, where M_o_f_f and M_o_n were the measured signal intensities on the conventional and MT-prepared SPGR images, respectively. The ratios of water content were measured by comparing the wet weight with the dry weight of the frontal lobe and the pons, which were extracted from a rat brain soon after MTR measurements. The ratio of water content was calculated by using the equation 100 x (wet weight-dry weight)/wet weight (%). The ratio of water content decreased markedly during the first 30 days, but the decrease was very slight there after both in the frontal lobe and the pons. The ...

International Nuclear Information System (INIS)

The thermodynamics of the Sr-Si system is of fundamental importance for the understanding of eutectic modification of Al-Si alloys. At the same time, strontium silicides have recently been found to have potential applications in electronic devices. Renewed research efforts have led to a re-evaluation of the phase equilibria in this system, resulting in the discovery of previously undetected stable intermetallic compounds. In this work, we investigate the finite temperature thermodynamic properties of the stable (and metastable) Sr-Si intermetallics. The vibrational properties of the intermetallic compounds are calculated within harmonic theory, with quasi-harmonic corrections to account for the effects of thermal expansion. The total free energies of the compounds are computed considering vibrational and electronic contributions, as well as weak anharmonic corrections. The ground state of the system is predicted and compared to previous experimental and ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Longitudinal compression of space-charge dominated beams can be achieved by imposing a head-to-tail velocity tilt on the beam. This tilt has to be carefully tailored, such that it is removed by the longitudinal space-charge repulsion by the time the beam reaches the end of the drift compression section. The transverse focusing lattice should be designed such that all parts of the beam stay approximately matched, while the beam smoothly expands transversely to the larger beam radius needed in the final focus system following drift compression. In this thesis, several drift compression systems were designed within these constraints, based on a given desired pulse shape at the end of drift compression systems were designed within these constraints, based on a given desired pulse shape at the end of drift compression. The occurrence of mismatches due to a rapidly increasing current was analyzed. In addition, the sensitivity of drift compression to errors in the initial ...

Energy Technology Data Exchange (ETDEWEB)

Experimental investigations have been shown that the thermal stability of carnallite shows a clear change to hogher temperature with increasing pressure if the decomposition atmosphere is not removed. Around 40 bar, constitutional water is released from the carnallite lattice at 139/sup 0/C, around 100 bar at 145/sup 0/C. The available temeprature data on thermal release of constitutional water in carnallite (80 to 110/sup 0/C) are not relevant to the possible heat load in a final-storage salt done as all investigations have been carried out in vacuum or in open systems under atmospheric conditions. The author's investigations show the decomposition temeprature of carnallite will be much higher under in-situ conditions with blocked or delayed removal of decomposition atmosphere. However, this applies only to carnallite as isolated mineral phase. Final statements cannot be made until the pressure-temperature ...

International Nuclear Information System (INIS)

The use of previously measured mixed-oxide (MOX) fuel systems as benchmarks can be valuable tool in computational analysis and quality assurance efforts. The Fissile Materials Disposition Program (FMDP) has identified these experiments as potential benchmarks, or standards, for VVER's employing MOX fuel. Standards for the analysis of these benchmark experiments were based on those used in the recent compilation International Handbook of Evaluated Criticality Safety Benchmark Experiments begun in 1992 by the U.S. Department of Energy. The Los Alamos National Laboratory's archives were explored for log-book records of these experiments without success. These experiments were the first to use MOX fuel in light water. Three approach-to-critical experiments were performed using fuel rods at various pitches and different plutonium-oxide concentrations. A parallel program verified the prediction of critical condition as similar materials and geometries were actually ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Environmental targets and saving energy have become ones of the world main concerns over the last years and it will increase and become more important in a near future. The world population growth rate is the major factor contributing for the increase in global pollution and energy and water consumption. In 2005, the world population was approximately 6.5 billion and this number is expected to reach 9 billion by 2050 [United Nations, 2008. (www.un.org), accessed on July]. Water supply systems use energy for pumping water, so new strategies must be developed and implemented in order to reduce this consumption. In addition, if there is excess of hydraulic energy in a water system, some type of water power generation can be implemented. This paper presents an optimization model that determines the best hourly operation for 1 day, according to the electricity tariff, for a pumped ...

Energy Technology Data Exchange (ETDEWEB)

The two-sonde neutron-logging device RKS-2 registers the ratios of the indications of two sondes and is scaled in units representing the total water content of pure limestone when saturated with fresh water. When analyzing the results of the measurements in real wells, it is necessary to calculate the effect of well- and strata conditions on the results of porosity determination. The results of simulated measurements are presented, on the basis of which correction factors are immediately determined for the calculation of the effect of the diameter of the well, and the effect of the mud cake on the well wall. A nomogram is constructed and substantiated; its purpose is the calculation of the effect of the following on the RKS-2 indication: the diameter of the well, the mud cake on the well wall, the density of the drilling solution, temperature, pressure in the well, and the lithology ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Service water, 100 l each, was collected at an intake of a water treatment plant and at a tap after water was left running for five minutes. The carriers of strontium and cesium were added to water immediately after sampling, and the sample was vigorously stirred and filtered. Then it was passed through a cation exchange column at a rate of 80 ml/min. Strontium and cesium were eluted with hydrochloric acid from the cation exchange column, and separated. After the radiochemical separation, the mounted precipitates were counted for activity using low background beta counters normally for 60 min. Net sample counting rates were corrected for counter efficiency, recovery, self absorption and decay to obtain the content of strontium-90 and cesium-137 radioactivity per sample aliquot. From the results, concentrations of these nuclides in the original sample were calculated. The maximum ...

Energy Technology Data Exchange (ETDEWEB)

This article presents a humidification-dehumidification (H.D.) process suitable for desalination of sea- and brackish water. The work correlated performance characteristics of the combination of different components in such a loop. Water yield, energy requirement and design data are evaluated as functions of different parameters. The investigation covered water to air mass ratios ranging from 60 to 80, concentration ratios between 2 and 5, at a temperature difference of between 10 and 16 C, along the liquid for dehumidification. The results showed that 76% of energy consumed in the humidifier is recovered by condensation. Increase of the concentration ratio to 5 can reduce the make-up water and rejected brine by about 58% and 24% respectively. Cost calculations show that the H.D. process has significant potential as an alternative for small capacity desalination plants and permits ...

International Nuclear Information System (INIS)

Stable boiloff of core water during a severe LWR accident, that is, boiloff driven only by the decay power generated below the water level, is tractable analytically and is relatively insensitive to axial power distribution. As might be expected, calculated accident event times are sensitive to the fidelity of the decay power model. During later stages of boiloff, heat transfer or transport of energy from above the water level to the residual water can result in an unstable condition during which the boiloff rate increases greatly. The unstable boiloff phenomenon illustrates the highly nonlinear influence of core heat transfer during meltdown and emphasizes the great accuracy requirements which attend the modeling of the accident during periods of enhanced heat transfer when significant zirconium oxidation is possible.

British Library Electronic Table of Contents (United Kingdom)

An exergy analysis method is presented of the solar multi-effect humidification?dehumidification desalination (HDD) process. Pinch technology is used in the humidification process to determine the maximum possible saturated air temperature and the temperature of water rejected from the unit, and then the dehumidification process to determine the temperature of water leaving from the heat exchanger. The formulae to calculate the exergy of water and saturated air are given. The solar plane collector is used. From exergy analysis, the solar collector has the lowest exergy efficiency; the HDD process has a lower exergy efficiency, and the water rejected has also a large exergy loss. The energy and exergy recovery rate of the desalination process is also lower. The solar multi-effect HDD proces...

Energy Technology Data Exchange (ETDEWEB)

The authors would like to determine |V{sub cb}| from the exclusive semi-leptonic decay B{yields}D*lv. The differential decay rate is d{Lambda}/dw = G{sub F}{sup 2}/4{pi}{sup 3}(w{sup 2}-1){sup 1/2}m{sub D*}{sup 3} (m{sub B}-m{sub D*}){sup 2}G(w)|V{sub cb}|{sup 2}|F{sub B{yields}D*}(w)|{sup 2}, where w = v {center_dot} v{prime} and G(1) = 1. At zero recoil (w = 1) heavy-quark symmetry requires F{sub B{yields}D*}(1) to be close to 1. So, |V{sub cb}| is determined by dividing measurements of d{Lambda}/dw by the phase space and well-known factors, and extrapolating to w {yields} 1. This yields |V{sub cb}|F{sub B{yields}D*}(1), and F{sub B{yields}D*}(1) is taken from ''theory''. To date models [1] or a combination of a rigorous inequality plus judgement [2] have been used to estimate F{sub B{yields}D*}(1) - 1. In this work [3] they calculate F{sub B{yields}D*}(1) with lattice gauge theory, in the so-called ...

International Nuclear Information System (INIS)

This paper describes a reactor design to facilitate a room-temperature nuclear fusion/fission reaction to generate heat without generating unwanted neutrons, gamma rays, tritium, or other radioactive products. The room-temperature fusion/fission reaction involves the sequential triggering of billions of single-molecule, "6LiD 'fusion energy pellets' distributed in lattices of a palladium ion accumulator that also acts as a catalyst to produce the molecules of "6LiD from a solution comprising D_2O, "6LiOD with D_2 gas bubbling through it. The D_2 gas is the source of the negative deuterium ions in the "6LiD molecules. The next step is to trigger a first nuclear fusion/fission reaction of some of the "6LiD molecules, according to the well-known nuclear reaction: "6Li + D #-># 2"4He + 22.4 MeV. The highly energetic alpha particles ("4He nuclei) generated by this nuclear reaction within the palladium will cause shock and vibrations in the palladium ...

International Nuclear Information System (INIS)

Specific structure of biota community condition can used as indicator for the ecosystem stability value or the waters pollution level where the aquatic biota exist. the macro invertebrates as bio indicator organism can used to assess the upper Cisadane Sub River Basin water quality. The grouping and calculation result from family number, Ept presences (sensitive macro invertebrate), Diversity index (H"'), DO value and TOC value showed 5 criteria of water quality as reference site. This criteria is used to determine water quality level from ten branches of rivers in the upper Cisadane Sub River Basin, Cijeruk districts. The biotic index calculation for ASPT (Average Score Per Taxon) and T and T (index Trihadiningrum and Tjindronegoro) is used to asses water quality based on macro invertebrate composition indicator. Both biotic index system ...

International Nuclear Information System (INIS)

The chemical composition and evolution of produced waters associated with gas production in the Palm Valley gas field, Northern Territory, has important implications for issues such as gas reserve calculations, reservoir management and saline water disposal. The occurrence of saline formation water in the Palm Valley field has been the subject of considerable debate. There were no occurrences of mobile water early in the development of the field and only after gas production had reduced the reservoir pressure, was saline formation water produced. Initially this was in small quantities but has increased dramatically with time, particularly after the initiation of compression in November 1996. The produced waters range from highly saline (up to 300,000 mg/L TDS), with unusual enrichments in Ca, Ba and Sr, to low salinity fluids that may ...

International Nuclear Information System (INIS)

We consider the integrable structure of the quantum lattice W_N algebras. We introduce the ultralocal Lax matrix, and show that the Yang-Baxter relation is satisfied with a Z_N invariant R-matrix. (orig.).

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 possibility of using this material as a ...

Energy Technology Data Exchange (ETDEWEB)

The structural and electronic properties of the A-15 compounds Nb{sub 3}Rh and Nb{sub 3}Ir were studied by means of escalar relativistic full-potential linearized augmented-plane wave (FP-LAPW) calculations with generalized gradient corrections. An investigation of the band structure of the hypothetical Nb{sub 3}Nb compound was also performed at the theoretical equilibrium lattice constant to ascertain the contribution of the nontransition elements on the B site in these A{sub 3}B-type compounds. Band structures and total densities of states were obtained. A rough estimate of the electron-phonon coupling parameter {lambda} as well as of the electronic specific-heat coefficient {gamma} were obtained for both Nb{sub 3}Rh and Nb{sub 3}Nb, which confirms that this latter is a low-temperature superconductor with T{sub c} - 10K.

International Nuclear Information System (INIS)

A set of equations describing a stress-mediated evolution of the nonequilibrium dopant-defect system has been derived and analyzed. Together with coupled diffusion of dopant atoms and point defects, we consider the drift of all mobile species in different charge states, namely vacancies, self-interstitials, and pairs 'dopant atom-point defect', in the field of stress. It has been shown that stresses may affect the diffusion of dopant atoms mainly in two ways: (1) directly, due to the drift of the pairs in the field of stress; (2) indirectly, by the formation of nonuniform defect distribution due to the drift of point defects. On this basis, various features of doping processes, such as phenomena of 'uphill' impurity diffusion near the surface (within the framework of the first or second mechanisms) and the peculiarities of high concentration phosphorus diffusion (due to the second mechanism), can be explained. Numerical computations of high concentration phosphorus diffusion in silicon ...

Energy Technology Data Exchange (ETDEWEB)

The presence of residual stresses in engineering components can significantly affect their load carrying capacity and resistance to fracture. In order to quantify their effect it is necessary to know their magnitude and distribution. Neutron diffraction is the most suitable method of obtaining these stresses non-destructively in the interior of components. In this paper the principles of the technique are described. A monochromatic beam of neutrons, or time of flight measurements, can be employed. In each case, components of strain are determined directly from changes in the lattice spacings between crystals. Residual stresses can then be calculated from these strains. The experimental procedures for making the measurements are described and precautions for achieving reliable results discussed. These include choice of crystal planes on which to make measurements, extent of masking needed to identify a suitable sampling volume, type of detector ...

Energy Technology Data Exchange (ETDEWEB)

We study the a{sub 0} and {sigma} mesons with the overlap fermion in the chiral regime with the pion mass as low as 182 MeV in the quenched approximation. After the {eta} N ghost states are separated, we find that the a{sub 0} mass with q{bar q} interpolation field to be almost independent of the quark mass in the region below the strange quark mass. The chirally extrapolated results are consistent with a{sub 0}(1450) being the u{bar d} meson and K{sub 0}*(1430) being the u {bar s} meson. We also calculate the scalar mesonium with a tetraquark interpolation field. In addition to the two pion scattering states, we found a state at {approx} 550 MeV. Through the study of volume dependence, we confirm that this state is a one-particle state, in contrast to the two-pion scattering states. This suggests that the observed state is a tetraquark mesonium which is quite possibly the {sigma}(600) meson.

Energy Technology Data Exchange (ETDEWEB)

Anisotropy finite element analysis was performed to study stresses associated with the tetragonal precipitates and the tetragonal to monoclinic transformation in MgO partially stabilized zirconia. Stresses were assumed to be caused by the lattice misfits between the product phase and the parent phase. In the finite element calculations, the tetragonal and monoclinic precipitates were assumed to be lenticular in shape, and the anisotropic elastic constants of the cubic, tetragonal and monoclinic phases were considered. The purpose of this paper is to obtain some knowledge about how stresses respond when the microstructure is changed, and how stress fields affect microstructure development. The finite element results show that increasing a{sub t}/a{sub c} and decreasing c{sub t}/a{sub c} can create a favorable stress field to reduce the growth rate of tetragonal precipitates during the heat treatment. Stresses associated with the single ...

International Nuclear Information System (INIS)

There are two non-equivalent sites of yttrium in the lattice of Y_2SiO_5. Both of them may be occupied substitutionally by Er"3"+, resulting in a laser active material. We measured absorption spectra of Y_2SiO_5:Er"3"+ at several low temperatures and we studied its emission spectrum at 4.2 K following selective excitation of individual Stark components of the "4I_1_32/ to "4I_1_52/ transition by the light of a tunable colour centre laser. The results of these two experiments allow classification of the absorption and emission lines into two independent systems, thus yielding two energy level schemes 1 and 2. Moreover, simple crystal field calculations strongly suggest from which Y_2SiO_5 crystallographic site spectrum 1 arises, and from which one spectrum 2. (author)

International Nuclear Information System (INIS)

We studied the effects of co-doping with Li and Al on the energy gaps of MgB2 by performing point-contact Andreev-reflection spectroscopy (PCAR) in polycrystalline Mg1-x(Al?Li1-?)xB2 samples with x?0.4. Even though the lattice parameters and the critical temperature of the compound simply scale with the effective Al content ?x, irrespective of the Li concentration, the energy gaps do not. In particular, for a given effective Al content, the comparison with Mg1-y(Al)yB2 with y = ?x shows that the ? bandgap is practically the same while the ? bandgap is higher. A clear gap merging is observed in the most doped sample (x = 0.4) when Tc<20 K. The results are discussed within the two-band Eliashberg theory and compared to the outcomes of first-principles calculations of the effects of Li and Al co-doping on the electronic structure of magnesium diboride.

International Nuclear Information System (INIS)

Complete calculations of the accelerator related background in the muon spectrometer of the CMS detector at the Large Hadron Collider are presented. The simulations have been performed with the STRUCT multi-turn tracking code and the MARS and FLUKA cascade codes taking into account latest information of the LHC lattice, vacuum conditions, beam cleaning system and the shielding and layout of the CMS experiment. Beam loss distributions in the interaction regions and their vicinities and their contribution to the background levels in the muon spectrometer of CMS are analyzed. The studies show that hadronic and electromagnetic components of machine background are efficiently suppressed by the proposed CMS shielding. High energy muons penetrate through the shielding, but in positions of significance they do not contribute more than a few percent compared to the background generated by the pp-collisions. It is anticipated that the relative ...

International Nuclear Information System (INIS)

... spin-lattice relaxation angular momentum electronic circuits magnetic

Energy Technology Data Exchange (ETDEWEB)

Radon migration in porous, earthen materials is characterized by diffusion in both the air and water components of the system as well as by the interaction of the radon between the air and water. The size distribution and configuration of the pore spaces and their moisture distributions are key parameters in determining the radon diffusion coefficient for the bulk material. A mathematical model is developed and presented for calculating radon diffusion coefficients solely from the moisture content and pore size distribution of a soil, reducing the need for resorting to radon diffusion measurements. The resulting diffusion coefficients increase with the median pore diameter of the soil and decrease with increasing widths of the pore size distribution. The calculated diffusion coefficients are suitable for use in simple homogeneous-medium diffusion expressions for predicting radon transport and compare ...

Science.gov (United States)

Investigations were conducted at Los Alamos National Laboratory to quantify the extent of migration of depleted uranium away from firing sites. Extensive sampling of air particles, soil, sediment, and water was conducted to establish the magnitude of uranium contamination throughout one watershed. The uranium source term was estimated, and mass balance calculations were performed to compare the percentage of migrated uranium with original expenditures. Mass balance calculations can be powerful in identification of the extent of waste migration and used as an aid in planning future waste investigations.

International Nuclear Information System (INIS)

The ion mobilities of |"2"1"1At|At(I) in dependence on thiourea (tu) concentration, iodide concentration and a mixture of both ligands were measured by the electromigration method in free electrolytes. An equilibrium model was developed for the characterization of electromigration curves which permitted the calculation of stability constants and ion mobilities of the complexes |AtI|, |AtI_2|"-, |Attu|"+, |Attu_2|"+ and |AtItu| existing in these solutions. Ethanol and water served as solvents. The temperature was 298 K and the ionic strength was about 0.05 mol/dm"3. (author) 16 refs.; 2 figs.

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

Optimal neutron energy for boron neutron capture therapy (BNCT) has been studied. Epithermal neutron is superior to thermal neutrons in treating deep-seated tumors. Design of the epithermal neutron column for BNCT has been performed by using a two-dimensional transport calculation code. Aluminum and heavy water are used as moderation materials. A thermal neutron column is also designed using heavy water as thermalization material. The configuration of the facility for treatment and research of BNCT and also for basic radio-biological studies of neutrons has been presented. (author).

Energy Technology Data Exchange (ETDEWEB)

A renormalization procedure is proposed which applies to lattice Feynman integrals containing zero-mass propagators and is analogous to the BPHZL renormalization procedure for continuum Feynman integrals. The renormalized diagrams are infrared convergent for non-exceptional external momenta, if the vertices of the theory satisfy a general infrared constraint. Under the same conditions as in the massive case, the continuum limit of the renormalized theory exists and is independent of the details of the lattice action.

Energy Technology Data Exchange (ETDEWEB)

The K site near Seoul began landfilling in 1992. The landfilled wastes include municipal solid waste (66.4%), construction residues (20.4%), water and wastewater sludges (trace levels), and hazardous waste (trace levels). The water content of the municipal solid waste is very high (47.3%); as a result, the leachate level (average E.L.) of the landfill, the design value of which is 7.0 m, was measured at 10.3 m in January 1995 and is increasing. The increase of leachate level in the landfill site causes a problem with slope stability. The leachate level at each disposal stage divided by the intermediate cover layer was calculated with the HELP (Hydrologic Evaluation of Landfill Performance) model and calibrated with the data measured from February 1993 to June 1995. Also, the hydraulic conductivities of the waste layer and the intermediate cover layer in each stage were calibrated continuously with HELP model analysis. To ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The structural transition and anomalous properties of the high temperature A-15 superconductors have been investigated from two different standpoints. The first is a Landau theory based on Gorkov's physical model of a Peierls-like charge density wave (CDW) transition involving electronic CDW order parameters coupled to phonon coordinates. Pretransition elastic anomalies, softening of the [1 anti 10] transverse ([1 anti 10] polarized) phonon, sublattice distortions, variation of transition temperature with stress and alloying and other effects have been accurately predicted, and a detailed comparison is made with experimental results. Central peaks in neutron scattering are shown to be non-dynamic in nature and no pretransition forbidden (300) reflection is predicted. The GAMMA_1_2 optic mode does not go soft at the transition, though its frequency is expected to be temperature dependent right up to room temperature. A tight binding, two (3-D) band model of the A-15 compounds, using ...

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

A methodology and hypothetical case study are presented for incorporation of uncertainty and variability into calculations of human health risk appropriate for regional, or basin-scale, groundwater management problems. Uncertainty in well water concentration is introduced through complex contaminant migration patterns in the subsurface. Variability is considered in parameters related to individual behavior patterns and biological effects and to groundwater extraction and distribution networks. A joint uncertainty and variability (JUV) analysis is used to generate a two-dimensional distribution or risk surface that spans both transport uncertainty as well as individual variability. Cuts in this distributional surface (fractiles of variability and percentiles of uncertainty) are presented and discussed. Comparisons with alternative approaches based upon deterministic transport models are also made. In addition, important distinctions are made ...

Energy Technology Data Exchange (ETDEWEB)

Tests on the scrubbing column have led to the following results: Use of a scrubbing column with Raschig rings is only meaningful for the sedimentation of particles exceeding diameters of 0.5 ..mu..m; drops of diameter size 1.5 ..mu..m are formed in the column; more efficient drop precipitators in the column air flow ease the load on subsequent suspended material filters thereby contributing to a longer life of these filters even at higher sodium ion concentrations in the washing water; with distillate of an 8% rather than 0.8% salt solution a decontamination factor greater than 10 can be calculated since larger particles precipitate more readily. This only applies, however, under the condition that the washing water is renewed regularly, if necessary daily where higher aerosol concentrations are present. If not, the decontamination factor will be reduced through the salt-containing secondary aerosols from the washing ...

International Nuclear Information System (INIS)

Inherent boron dilution can occur in case of a Small Break LOCA when low borated water is mainly accumulated in the U-legs due to reflux boiling in the Steam Generator tubes after the loss of natural circulation. The restart of the natural circulation may lead to criticality because of the injection of these low borated slugs towards the core. To evaluate this potential risk, the boron concentration at the core inlet has to be known which makes necessary to estimate the mixing phenomena in the cold leg, in the downcomer and in the lower plenum: CFD calculations are required. First of all the validation of CFX5 CFD code on the relevant phenomena of inherent boron dilution has been established (UPTF TRAM C3 test). Then, an application to the 900 MW French Pressurized Water Reactor series has been performed. (authors)

International Nuclear Information System (INIS)

An attempt to develop a simple framework for financial evaluation of renewable energy technologies (RETs) such as photovoltaic (PV) pump, windmill pump, biogas and producer gas-driven dual fuel engine pumps for irrigation water pumping has been made. The unit cost of water and unit cost of useful energy delivered by the RETs have been estimated. The monetary benefits that accrued to the end-user have been quantified in terms of the amount of diesel or electricity saved. Financial figures of merit for the investments made in the RETs have been estimated. The effect of fuel price escalation on these measures of financial performance has also been evaluated along with the estimation of the break-even prices of fuels likely to be substituted by RETs. Results of some exemplifying calculations are presented and briefly discussed.

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

We performed density functional calculations to examine the effects of solvation, hydrogen bonding, backbone conformation, and the side chain on 15N chemical shielding in proteins. We used N-methylacetamide (NMA) and N-formyl-alanyl-X (with X being one of the 19 naturally occurring amino acids excluding proline) as model systems. In addition, calculations were performed for selected fragments from protein GB3. The conducting polarizable continuum model was employed to include the effect of solvent in the density functional calculations. Our calculations for NMA show that the augmentation of the polarizable continuum model with the explicit water molecules in the first solvation shell has a significant influence on isotropic 15N chemical shift but not as much on the chemical shift anisotropy. The difference in the isotropic chemical shift between the standard ?-sheet and ?-helical ...

Energy Technology Data Exchange (ETDEWEB)

The performance of the Magma Power Company's reinjection well No. 46-7 at East Mesa has been examined. Water was cooled to 100/sup 0/F(+-) to simulate total heat extraction and then tested using membrane filter flow procedures. The cooled water contains particles which are in the high colloid size range, and formation impairment by these particles is unlikely. There is evidence that acid soluble corrosion products and calcium compounds constitute about two thirds of the particulates, and that the acid insoluble residue contains precipitated silica, insoluble corrosion products, and possibly formation fines carried in the produced water. Under stabilized conditions, the suspended solids content of the water is less than 2 parts per million. However, during the frequent production well start ups, a higher concentration of suspended solids is carried in the produced water and ...

International Nuclear Information System (INIS)

This paper presents an overview of issues related to surface water contamination arising from uranium mining activities in the Alligator Rivers Region (ARR) of northern Australia, and a program of research and monitoring that must assess the potential and actual effects on ecosystem and human health. The program of assessing effects on aquatic ecosystems involves a four-tiered approach including the derivation of local water quality guideline trigger values, direct toxicity assessment of mine waters prior to their release, creekside or in situ monitoring for early warning of adverse effects during mine water release, and longer-term monitoring of macroinvertebrate and fish communities. Bioaccumulation in aquatic biota is also assessed, and is an issue of importance not only to ecosystem health, but also to the health of local Aboriginal people. The aquatic animals they consume represent potential ...

International Nuclear Information System (INIS)

Boiling phenomenon is responsible for impurities concentration in the liquid phase and then can involve chemically aggressive conditions. This paper presents the methodology developed by NOVATOME to know the water quality conditions in the boiling zone and under deposits, in order to improve corrosion tests and materials reliability and safety. Calculations show that concentration of chloride and sodium hydroxide for example can reach significant levels which may lead to corrosion risks. (author).

Energy Technology Data Exchange (ETDEWEB)

Benchmark calculations for SCALE4.4 CSAS6 module have been performed for 31 UO{sub 2} fuel, 15MOX fuel and 10 metal material criticality experiments and then calculation biases of the SCALE 4.4 CSAS6 module have been revealed to be 0.00982, 0.00579 and 0.02347, respectively. When CSAS6 is applied to the criticality safety analysis for the mockup facility in which several kinds of nuclear material components are included, the calculation bias of CSAS6 is conservatively taken to be 0.02347. With the aid of this benchmarked code system, criticality safety analyses for the mockup facility at normal and hypothetical accidental conditions have been carried out. It appears that the maximum K{sub eff} is 0.28356 well below than the critical limit, K{sub eff}=0.95 at normal condition. In a hypothetical accidental condition, the maximum K{sub eff} is found to be 0.73527 much lower than the subcritical limit. For another hypothetical ...

Energy Technology Data Exchange (ETDEWEB)

Several shield options were analyzed for the ITER conceptual design to minimize the nuclear responses in the toroidal field (TF) coils. The total nuclear heating in the physics phase and the insulator dose in the technology phase are the most critical parameters in the design process. The first shield option has type 316 stainless steel and water shielding material. Steel and water also serve as structural material and coolant, respectively. The second option is similar to the first except that borated water is used instead of ordinary water. The other two options include a small layer of lead or boron carbide (B{sub 4}C) at the back of the shield. The last three shield options were considered to reduce the nuclear heating in the toroidal field coils relative to the steel/water shield. An optimization process was performed taking into consideration the thermal-hydraulics and the ...

International Nuclear Information System (INIS)

In order to study the boundary conditions for the occurrence of ratcheting, a testing rig was erected. In this rig, small-scale mock-ups of the first wall were tested under mechanical conditions similar to those expected during disruptions. These mock-ups were made of stainless steel AISI 316. They were heated on the surface and water cooled from inside. Disruption forces were simulated by a high-speed hydraulic bending system by impact loads. The mock-ups were heated by a high-frequency generator and cooled by water through two cooling channels.In addition to the experimental work, simplified analytical analysis and numerical calculations were carried out using the finite element program ABAQUS. In these calculations, the temperature and stress fields in the mock-ups were investigated and the influence of the different constitutive equations was studied.The experimental results confirm the ratcheting ...

Energy Technology Data Exchange (ETDEWEB)

The two-dimensional Eulerian hydrodynamic code 2DE, with the shock initiation of heterogeneous explosive burn model called Forest Fire, is used to model numerically the interaction of jets of steel, copper, tantalum, aluminum, and water with steel, water, and explosive targets. The calculated and experimental critical condition for propagating detonation may be described by the Held V/sup 2/d expression (jet velocity squared times the jet diameter). In PBX 9502, jets initiate an overdriven detonation smaller than the critical diameter, which either fails or enlarges to greater than the critical diameter while the overdriven detonation decays to the C-J state. In PBX 9404, the jet initiates a detonation that propagates only if it is maintained by the jet for an interval sufficient to establish a stable curved detonation front. The calculated penetration velocities into explosives, initiated by a ...

International Nuclear Information System (INIS)

The calculation of electronn beam dose using an algorithms similar to convolution/superposition methods for photon beams [1,2,3,4] is explored. The distribution of dose deposited by a number of monoenergetic, point-monodirectional electron pencil beams is first determined using the Monte Carlo method [5,6]. These elementary distributions are combined to model distributions that would result from the spectrum of incident energies and angles [6,7] present in a clinical beam. These modified distributions are then stored for use as kernels in the dose calculation. In the case of a homogeneous phantom, the relative fluence distribution is convolved with the stored kernels to obtain thhe dose distributions in 3 dimensions. Since the kernels cannot be assumed to be spatially invariant in a heterogeneous water-like phantom, the dose deposited on paths from the interaction site to all the dose deposition sites is approximated by ...

British Library Electronic Table of Contents (United Kingdom)

A convolution/superposition method is proposed for use with primary and scatter dose kernels formed for energy bins of X-ray spectra reconstructed as a function of off-axis distance. It should be noted that the number of energy bins is usually about ten, and that the reconstructed X-ray spectra can reasonably be applied to media with a wide range of effective Z numbers, ranging from water to lead. The study was carried out for 10-MV X-ray doses in water and thorax-like phantoms with the use of open-jaw-collimated fields. The dose calculations were made separately for primary, scatter, and electron contamination dose components, for which we used two extended radiation sources: one was on the X-ray target and the other on the flattening filter. To calculate the in-air beam intensities at po...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

A method for determining the reactivity of highly subcritical systems of fissile material, using neutron-noise power spectral densities in conjunction with a /sup 252/Cf source, had previousy been tested in two fast reactor critical assemblies (a mockup of the Fast Flux Test Facility reactor and unreflected enriched uranium metal assemblies) and one thermal reactor (a light-water moderated and reflected lattice of Oak Ridge Research Reactor fuel elements). The last-mentioned test demonstrated the effectiveness of the method in water-moderated systems and thereby prompted the present study of its application to facilities for fuel preparation, reprocessing, and storage. To investigate the applicability of this method to facilities for fuel preparation, reprocessing, and storage, limited experiments were performed with a uranyl fluoride solution. The Los Alamos National Laboratory SHEBA facility, an unreflected cylindrical ...

International Nuclear Information System (INIS)

According to the Romanian Nuclear Strategy, the third and fourth units of the Cernavoda NPP will be commissioned by 2015. Improvements in operation and safety are expected to be applied for these CANDU-6 based units. On the other side, the need for innovation determined AECL to promote the ACR -1000 - an evolutionary Generation III+ power reactor design and a necessary step towards Generation IV inherently safe nuclear energy systems. CANDU-6 is recognized for having two independent fully capable shutdown systems. ACR-1000 also benefits for this strong safety feature. Two major achievements i.e. using of light water as coolant and using Low Enriched Uranium (LEU) as fuel in a compact heavy water moderated lattice allowed the obtaining of a slightly negative Coolant Void Reactivity (CVR) for the first time in a CANDU-type reactor. The main goal of the paper is to compare the response of SDS1 action during some LOCAs supposed ...

Energy Technology Data Exchange (ETDEWEB)

An estimate of the tritium dose to the public in the vicinity of the heavy water research reactor facility at AECL-Chalk River Laboratories, Ontario, Canada, has largely been accomplished from analyses on regularly-collected samples of air, precipitation, drinking water and foodstuffs (pasture, fruit, vegetables and milk) and environmental dose models. To increase the confidence with which public doses are calculated, tritium doses were estimated directly from the ratio of tritiated species in urine samples from members of the general public. Single cumulative 24 h urine samples from a few adults living in the vicinity of the heavy-water research reactor facility at Chalk River Laboratories, Canada were collected and analysed for tritiated water and organically bound tritium. The participants were from Ottawa (200 km east), Deep River (10 km west) and Chalk River Laboratories. ...

Energy Technology Data Exchange (ETDEWEB)

A conceptual hydrodynamic model in the Holocene and upper Pleistocene beneath the Louisiana wetlands is described in terms of safety distributions. Porewater safety is calculated from electrical measurements, including resistivity soundings, electric logs, and electromagnetic profiling. Electrical measurements support the primary, basin-wide groundwater flow model; however, the data also indicate secondary contributions from expulsion of fluids under geopressure along active growth faults and from original waters of deposition. Expulsion of water from growth faults has been described previously for deeper sections of the Pleistocene, but has not been reported for the Holocene or upper Pleistocene beneath the Louisiana wetlands. Porewater chemistry variations beneath the coastal wetlands are a consequence of the following (in order of importance): (1) environment of deposition; (2) a basin-wide, regional flow system; (3) ...

Energy Technology Data Exchange (ETDEWEB)

The CPCU steam distribution network is supplemented by a return network for the condensation water. The data system installed in 1988 provides, for the real time, management of the function of the two networks and a reduction in production costs. For the steam, data required in the network, the boiler houses and from external sources are processed by local network of five microprocessors and permit: - with time delay: technical and economic production optimizing calculations, or forecasts, for the following day, of the total required output and the procedure necessary for supplying this at the lowest cost; - in real time: on the basis of the forecasts for the previous day, creating the production instructions for the boiler houses and the instructions for the network remote control elements; - in case of an unexpected occurrence: immediate creation of new operating forecasts for the boiler houses for the establishing management data in real ...

International Nuclear Information System (INIS)

This contribution presents different approaches for the modeling of gas entrainment under water by a plunging jet. Since the generation of bubbles happens on a scale which is smaller than the bubbles, this process cannot be resolved in meso-scale simulations, which include the full length of the jet and its environment. This is why the gas entrainment has to be modeled in meso-scale simulations. In the frame of a Euler-Euler simulation, the local morphology of the phases has to be considered in the drag model. For example, the gas is a continuous phase above the water level but bubbly below the water level. Various drag models are tested and their influence on the gas void fraction below the water level is discussed. The algebraic interface area density (AIAD) model applies a drag coefficient for bubbles and a different drag coefficient for the free surface. If the AIAD model is used for the simulation ...

CERN Document Server

The dynamics of spin-lattice relaxation (slr) of metal-organic Pt(II) compounds is studied. Often, such systems are characterized by pronounced zero-field splittings (zfs) of the lowest-lying triplets. Previous expressions for the Orbach slr process do not allow to treat such splitting patterns properly. We discuss the behavior of a modified Orbach expression for a model system and present results of a fit of the temperature dependence of the spin-lattice relaxation rate of Pt(2-thpy)$_2$ based on the modified expression.

Energy Technology Data Exchange (ETDEWEB)

The formation of a quasiequilibrium beam distribution matched to an alternating-gradient quadrupole focusing lattice by means of the adiabatic turn-on of the oscillating focusing field is studied numerically using particle-in-cell simulations. Quiescent beam propagation over several hundred lattice periods is demonstrated for a broad range of beam intensities and vacuum phase advances describing the strength of the oscillating focusing field. Properties of the matched-beam distribution are investigated. In particular, self-similar evolution of the beam density profile is observed over a wide range of system parameters. The numerical simulations are performed using the WARP particle-in-cell code.

Energy Technology Data Exchange (ETDEWEB)

We survey results in lattice quantum chromodynamics from groups in the USQCD Collaboration. The main focus is on physics, but many aspects of the discussion are aimed at an audience of computational physicists.

Energy Technology Data Exchange (ETDEWEB)

Corrosion characteristics of Al and Cu thin films have been studied in cyclic fog tests using tap water fog and fog created with 0.1% NaCl solution in tap water. Likewise, their corrosion features have been analyzed in continuous immersion testing in the laboratory in distilled water, tap water, in 0.1% NaCl and 3.5% NaCl solutions in distilled water. The corrosion potentials and the corrosion currents of these thin films change and reach steady state values after some time. However, steady state is not realized in 3.5% NaCl solutions. The corrosion current density data have been used to calculate lifetime of 1 {mu}m thick thin films of Al and Cu in the various tests, and assuming that the fog test data would hold under normal exposure conditions, life spans for these thin film sensor elements in actual exterior exposure have also been ...

International Nuclear Information System (INIS)

A real-time two-dimensional void fraction distribution measurement of gas-liquid two-phase flow was carried out by real-time neutron radiography and real-time image processing. The JRR-3M real-time thermal neutron radiography system and a Musashi dynamic image processing system were used. Image processing methods to calculate two-dimensional and cross-sectional void fraction distributions were proposed. The void fraction distribution was calculated by non-linear processing of the neutron radiography image and displayed by pseudo-color in real-time. A simple gas-liquid two-phase flow induced by injecting gas through needles at the bottom of water pool in a rectangular vessel was tested. (orig.).

International Nuclear Information System (INIS)

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

Science.gov (United States)

The calculations of Gay et al. of the terminal velocities of charged hydrormeteors in the presence of electric fields have formed the basis of computations of the charging current density J flowing through a thunder-cloud as a result of the operation of a precipitative mechanism of cloud electrification. Values of J were calculated for a range of values of field strength E, precipitation rate pO, precipitation content L, cloud water content C, charge distribution, total separated charge, and the fraction of the small particles that have undergone a charging event.It is found that the estimated field required for the initiation of a lightning stroke (3.5 kV cm1 can be achieved only over a narrow range of conditions. The ease with which precipitative mechanisms can produce breakdown fields is considerably increased, however, if account is taken of spatial inhomogenities in the field.

British Library Electronic Table of Contents (United Kingdom)

The interaction between molecules and solid surfaces plays important roles in various applications, including catalysis, sensors, nanoelectronics, and solar cells. Surprisingly, a full understanding of molecule-surface interaction at the quantum mechanical level has not been achieved even for very simple molecules, such as water. In this mini-review, we report recent progresses and current status of studies on interaction between representative molecules and surfaces. Taking water/metal, DNA bases/carbon nanotube, and organic dye molecule/oxide as examples, we focus on the understanding on the microstructure, electronic property, and electron-ion dynamics involved in these systems obtained from first-principles quantum mechanical calculations. We find that a quantum mechanical description ...

Energy Technology Data Exchange (ETDEWEB)

Femaxi-iv is a computer code for the analysis of thermal and mechanical behavior of light water reactor fuel rods during steady-state and transient conditions. The main purpose of femaxi-iv is to calculate the stress and strain distributions in the fuel and cladding due to the pellet-cladding mechanical interaction, and the fission gas release rate during operations, especially power transients. The capability of femaxi-iv was extensively tested with a number of experimental results obtained in some international fuel irradiation programs. This paper provides a general description of the various models involved in femaxi-iv and some results of applications on the experimental data. ((orig.))

CERN Document Server

Land snails move via adhesive locomotion. Through muscular contraction and expansion of their foot, they transmit waves of shear stress through a thin layer of mucus onto a solid substrate. Since a free surface cannot support shear stress, adhesive locomotion is not a viable propulsion mechanism for water snails that travel inverted beneath the free surface. Nevertheless, the motion of the freshwater snail, Sorbeoconcha physidae, is reminiscent of that of its terrestrial counterparts, being generated by the undulation of the snail foot that is separated from the free surface by a thin layer of mucus. Here, a lubrication model is used to describe the mucus flow in the limit of small amplitude interfacial deformations. By assuming the shape of the snail foot to be a traveling sine wave and the mucus to be Newtonian, an evolution equation for the interface shape is obtained and the resulting propulsive force on the snail is calculated. This ...

International Nuclear Information System (INIS)

Inherent boron dilution can occur in case of a small Break LOCA when low borated water is accumulated in the U-legs due to reflux boiling in the Steam Generator tubes after the loss of natural circulation. The restart of the natural circulation may lead to criticality because of the injection of these low borated slugs towards the core. To evaluate this potential risk, the boron concentration at the core inlet has to be known which makes necessary to estimate the mixing phenomena in the cold leg, in the downcomer and in the lower plenum: CFD calculations are required. First of all the validation of CFX5 CFD code on the relevant phenomena of inherent boron dilution has been established (UPTF TRAM C3 test). Then, an application to the 900 MW French Pressurized Water Reactor series has been performed. (authors)

Energy Technology Data Exchange (ETDEWEB)

This paper reports on three-dimensional continuous-energy coupled neutron-gamma Monte Carlo models of the Advanced Neutron Source (ANS) final preconceptual and conceptual reference core designs developed using the Monte Carlo Neutron and Photon transport code (MCNP) Version 3b. These models contain the reactor core with control rods, the heavy water reflector tank with shutdown rods and some beam tubes, and the outer light water pool. Eighty homogenized fuel zones per fuel element are used to represent the radial and axial {sup 235}U fuel distribution. These models are the most sophisticated, physically accurate reactor physics models of the ANS currently available. The use of MCNP methods and applications to the ANS are demonstrated. Beam tube studies, coolant voiding studies, and many criticality studies have already been performed, as have studies with variance reduction techniques. In comparison with deterministic methods, MCNP proves ...

Energy Technology Data Exchange (ETDEWEB)

A study has been performed for the development and assessment of a subchannel analysis code which is purposed to be used for the analysis of advanced reactor conditions with various configurations of reactor core and several kinds of reactor coolant fluids. The subchannel analysis code was developed on the basis of MATRA code which is being developed at KAERI. A GUI (Graphic User Interface) system was adopted in order to reduce input error and to enhance user convenience. The subchannel code was complemented in the property calculation modules by including various fluids such as heavy liquid metal, gas, refrigerant,and supercritical water. The subchannel code was applied to calculate the local thermal hydraulic conditions inside the non-square test bundles which was employed for the analysis of CHF. The applicability of the subchannel code was evaluated for a high temperature gas cooled reactor condition and supercritical ...

International Nuclear Information System (INIS)

The predicted results of INDAC code were compared with measured "3H concentrations in air and pine-needle around the Wolsung site. The optimal sets of input data to INDAC were in addition selected by comparing the measured values with the predicted values of INDAC based on various conditions such as the release modes of effluents into the environment, the classification of wind classes, and the consideration of terrain. The predicted "3H concentrations in air and pine-needle were shown to have good agreement with measured values, although there are some limitations such as uncertainties in measured values, complex topology around the site, and the land-sea breeze effects. The assumption on the "3H behavior in vegetables or plants that the ratio of "3H concentration in plant water to "3H concentration in atmospheric water is 1/2 was shown to be conservative in terms of the audit calculation performed by the regulator. It was ...

Science.gov (United States)

Clean Water Act You are here: Water Laws & Regulations Policy & Guidance Clean Water Act Water Quality and 401 Certification Water Quality and 401 Certification Water Quality...

International Nuclear Information System (INIS)

A non-linear mathematical model of dynamics of horizontal steam generator for nuclear power unit with WWER type reactor is presented. To realize this model the GEMMA-120 simulation language for computer Odra-1204 has been used. Necessity of taking into account disposited thermal storage capacities along tubulation of a primary cycle is demonstrated. A number of lumped elements of reactor division against a required static accuracy of calculations has been determined. (author).

Energy Technology Data Exchange (ETDEWEB)

Westinghouse Electric Germany GmbH has developed fluid dynamic models for medium-actuated armatures using the thermal hydraulic code RELAP5 in order to reach a more realistic description of the armature behavior including fluid-structure interactions in case of transient flow conditions in piping systems. The contribution is concerned with the modeling of damped check valves. The model allows the description of the behavior during opening and closure of a check armature. The calculated results show good agreement with the available measured data.

International Nuclear Information System (INIS)

FLOWER, a computer code recommended by USNRC for assessing the environmental impact in tidal regions, was adapted and improved so as to be suitable to deal with the influence of drift stream along seashore to the dilution of contaminants and heat in the bay mouth. And the code outputs were presented with more mid-results such as average concentrations and temperature values for all tides considered. Finally, the modified code is applied to the dispersion calculation of heat and liquid effluents from Daya Bay Nuclear Power Plant, and the impacts from routine operation of the plant on Daya Bay sea waters were given.

Energy Technology Data Exchange (ETDEWEB)

Shield measurements and four cycles of operating experience have shown the design and construction of radiation shields for the Fast Flux Test Facility (FFTF) reactor and plant to be satisfactory. A number of minor shield deficiencies were found and corrected. Most of these were associated with interfaces between components, each of which was satisfactory by itself. Preliminary evaluation of the shield measurements indicates satisfactory agreement with design calculations. Operator doses to date have been quite small, especially when compared to light water reactor experience.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

For the layout of a pressure suppression system of a light water cooled reactor (boiling water reactor) it is important to know the time dependent behavior of the vent clearing transient after a loss-of-coolant accident for two main reasons: time of the end of the vent clearing transient influences strongly the pressure and temperature maxima in the drywell and wetwell. Time-dependent behavior of the vent clearing transient influences pressure loads in the condensation pool of the wetwell and therefore pressure induced stresses to the structure. The time-dependent behavior of the water masses in the vent pipes and wetwell are described by the basic equations for a nonstationary incompressible friction flow: momentum equation, continuity equation and a correlation for the variation of the state of the gas volume in the wetwell above the water level. After many algebraic operations and integrations along ...

CERN Document Server

I report on a lattice computation of the energy of a system of two light quarks and two static antiquarks as a function of the separation of the static antiquarks. In terms of hadrons such a system corresponds to a pair of B mesons and its energy to the hadronic potential. I present selected results for different isospin, spin and parity combinations of the individual B mesons mainly focusing on those channels relevant to determine, whether two B mesons may form a bound tetraquark state.

CERN Document Server

Two crucial properties of QCD, confinement and chiral symmetry breaking, cannot be understand within the context of conventional Feynman perturbation theory. Non-perturbative phenomena enter the theory in a fundamental way at both the classical and quantum level. Over they years a coherent qualitative picture of the interplay between chiral symmetry, quantum mechanical anomalies, and the lattice has emerged and is reviewed here.

Science.gov (United States)

Polycrystalline powders of Na{sub 2x}Mn{sub 1-x}PS{sub 3} have been synthesized from layered MnPS{sub 3} material by successive ion-exchange intercalation of potassium and sodium ions. Their x-ray photoelectron spectroscopy (XPS) and x-ray excited Auger spectroscopy spectra have been measured at room temperature using Mg K{alpha} (1253.6 eV) x-ray source. In particular, the Mn, P, and S 2p and Na 1s and 2p core-level regions and the Na Auger KL{sub 23}L{sub 23} transition have been investigated. All the analyzed XPS core-level spectra display a single-peak structure, suggesting the absence of nonequivalent atoms of Na, Mn, P, and S. The manganese XPS spectrum shows, as observed in MnPS{sub 3} and in its cesium and potassium intercalation compounds, typical shake-up satellites, suggesting that the Mn-S bond is yet mainly ionic in nature. The comparison with the XPS spectra relative to MnPS{sub 3} and its potassium intercalation compound (K{sub 2x}Mn{sub 1-x}PS{sub 3}) does not emphasize ...

Energy Technology Data Exchange (ETDEWEB)

When a plasma becomes contaminated by foreign particles, generically referred to as dust, the result is called a dusty plasma. At the present time there is a great deal of interest in dusty plasmas because of their roles in terrestrial and extra-terrestrial processes - semiconductor processing, high temperature fusion experiments, stellar formation and the rings of Saturn. This thesis is concerned with the role of dust in processing type plasmas. In the following experiments, artificial dust is introduced into a parallel electrode plasma chamber. Ions and electrons in the plasma charge the dust particles and they become suspended in the plasma due to the balancing of electric and gravitational forces. By illuminating the suspended dust with laser light and using an extremely high speed camera fitted with a macro lens to look at the scattered light, the dust particles are observed directly. Specially written computer software is then able to track and analyse the particles' ...

Energy Technology Data Exchange (ETDEWEB)

A number of high voltage cathode materials are now being considered for their ability to increase the energy density of lithium-ion batteries. In this study, a lithium-nickel composite alloy (LiNiVO{sub 4}) was synthesized using a rheological phase reduction method that incorporated mixtures of LiOH-H{sub 2}O, Ni(CH{sub 3}COO){sub 2}, 4H{sub 2}O, NH{sub 4}VO{sub 3} and C{sub 2}H{sub 2}O{sub 4}-2H{sub 2}O. The rheological phase method was used to prepare the compounds from a solid-liquid rheological mixture. Solid reactants were first mixed in a proper molar ratio, and water or solvents were added to the solid-liquid rheological body. X-ray powder diffraction (XRD) and Fourier Transform (FT) analyses were conducted to characterize the powders. Scanning electron microscopy (SEM) was used to characterize the morphological features and particle sizes of the powders. Results of the analyses indicated that the single-phase LiNiVO{sub 4} composite is capable of being ...

Energy Technology Data Exchange (ETDEWEB)

The X-ray diffraction (XRD) and environmental scanning electron microscopy (ESEM) analyses of plasters collected from the courtyard walls of Djehuty's tomb show anhydrite, calcite, dolomite, quartz, alkali feldspars and accessorial amounts of halite and illite. The external outer bed is mainly composed by anhydrite, since the original hydrous phases of gypsum plaster were desiccated during thirty centuries in the dry land environment of the Luxor area, under low relative humidity and high temperatures. The luminescence analyses by thermoluminescence (TL) and cathodoluminescence (CL) demonstrate as one plaster sample (m8), i.e., 95% anhydrite, displays a gigantic TL emission of 33 555 a.u. and a SEM/CL emission of 2319 a.u. maxima peak. The spectra CL also exhibits a 484 nm peak attributable to the classic {sup 4}F{sub 9/2}{yields}{sup 6}H{sub 15/2} transition circa 490 nm of Dy{sup 3+} and a 573 nm emission of Dy{sup 3+} masked in a broad emission band centered at 620 nm. The ...

Energy Technology Data Exchange (ETDEWEB)

This report focuses on air quality at the Nevada Test Site (NTS) for 1994. A general description of the effluent sources are presented. Each potential source of NTS emissions was characterized by one of the following: (1) by monitoring methods and procedures previously developed at NTS; (2) by a yearly radionuclide inventory of the source, assuming that volatile radionuclides are released to the environment; (3) by the measurement of tritiated water concentration in liquid effluents discharged to containment ponds and assuming all the effluent evaporates over the course of the year to become an air emission; or (4) by using a combination of environmental measurements and CAP88-PC to calculate emissions. Appendices A through J describe the methods used to determine the emissions from the sources. These National Emission Standards for Hazardous Air Pollutants (NESHAP) emissions are very conservative, are used to calculate the ...

International Nuclear Information System (INIS)

The super simulator 'SAMPSON' has been developed to show that there exist certain safety margins for light water reactors under hypothetical severe accidents and to investigate realistic measures of accident management by simulating accidents with a parallel computer. Heat-up of fuel rods and release of fission products from fuels are important factors to evaluate source terms. Models for fuel rod heat-up, hydrogen production due to cladding oxidation and cladding deformation and failure in the core region have been developed in the fuel rod heat-up analysis module. Fuel temperatures were calculated by solving the heat conduction equation. The calculated results for fuel temperature and hydrogen production were compared with CORA-13 experiment results. The comparisons showed prediction capability for the heat-up of fuel rods. The fission product release analysis module incorporates with models for fission product transport ...

International Nuclear Information System (INIS)

Debris coolability in the lower plenum of the reactor pressure vessel is an important factor for evaluation of debris in-vessel retention. The debris coolability analysis module is developed for the accurate prediction of the safety margin of the present reactor vessels in a severe accident. The module calculates debris spreading and cooling through melting and solidification in combination with a temperature distribution and failure evaluation of the vessel wall. Debris spreading is solved by the explicit method on a quasi-three-dimensional scheme and debris coolability is solved on the basis of natural convection analysis. The calculation for spreading is compared with a water spreading experiment on the floor and the calculation for coolability is compared with a n-octadecane melting experiment in a rectangular vessel. The comparisons show capabilities for predictions of spearhead transportation in ...

Energy Technology Data Exchange (ETDEWEB)

Consolidation of spent fuel is under active consideration as the US Department of Energy plans to dispose of spent fuel. During consolidation, the fuel pins are removed from an intact fuel assembly and repackaged into a more compact configuration. After repackaging, approximately 30 kg of residual spent fuel assembly hardware per assembly remains that is also radioactive and requires disposal. Understanding the nature of this secondary waste stream is critical to designing a system that will properly handle, package, store, and dispose of the waste. This report presents a methodology for estimating the radionuclide inventory in irradiated spent fuel hardware. Ratios are developed that allow the use of ORIGEN2 computer code calculations to be applied to regions that are outside the fueled region. The ratios are based on the analysis of samples of irradiated hardware from spent fuel assemblies. The results of this research are presented in three volumes. In Volume 1, ...

International Nuclear Information System (INIS)

Several types of corrosion have damaged alloy 600 tubing in the secondary side of steam generators. The types of corrosion include wastage, denting, intergranular attack, stress corrosion, erosion-corrosion, etc. The environments which cause attack may originate from leaks of cooling water into the condensate, etc. When the contaminated feedwater is pumped into the generator, the impurities may concentrate first 200 to 400 fold in the bulk water, depending on the blowdown, and then further to saturation and dryness in heated tube support plate crevices. Characterization of local solution chemistries is the first step to predict and correct the type of corrosion that can occur. The pH is of particular importance because it is a major factor governing the rate of corrosion reactions. The pH of a solution at high temperature is not the same as the ambient temperature, since ionic dissociation constants, solubility and solubility products, activity ...

Energy Technology Data Exchange (ETDEWEB)

Apoptosis is a pattern of cell death involving nuclear pycnosis, cytoplasmic condensation, and karyorrhexis. Apoptosis induced by continuous irradiation with gamma rays (externally given by a 137Cs source) or with beta rays (from tritiated water injected ip) was quantified in the crypts of two portions of mouse bowel, the small intestine and descending colon. The time-course change in the incidence of apoptosis after each type of radiation could be explained on the basis of the innate circadian rhythm of the cells susceptible to apoptotic death and of the excretion of tritiated water (HTO) from the body. For 6-h continuous gamma irradiation at various dose rates (0.6-480 mGy/h) and for 6 h after injection of HTO of various radioactivities (0.15-150 GBq per kg body wt), the relationships between dose and incidence of apoptosis were obtained. Survival curves were then constructed from the curves for dose vs incidence of apoptosis. For the ...

Science.gov (United States)

Operating PWR units in the USA have experienced very severe corrosion of the tube support plate at the crevice between the tube and the support. This results in distortion of the plate and crushing of the tube (denting). The first task of this project required that currently available computational methods to estimate the pH attained by concentrating boiler water under various fault conditions such as condenser leakage of river waters and faulty operation of condensate polishing plant. Particular attention has been paid to systems in which sulfate predominates. In the second task, the mechanisms are discussed by which solutions become concentrated in porous deposits on a boiling heat transfer surface. It is concluded that more experimental data are needed to test the validity of existing models. High solution concentrations in the deposit may occur at a heat flux close to the critical value for drying out the base of the deposit. The pore to ...

Science.gov (United States)

Programs & Services Technical Resources Land Use Soils Water Snow Survey & Water Supply Water Management Water Quality Watersheds Wetlands Air Plants & Animals Energy Climate...

Energy Technology Data Exchange (ETDEWEB)

In the groundwater flow modelling part of this work the effective dilution volume in the well scenario was estimated by means of transient simulations of groundwater flow and transport, which are coupled due to the varying salinity. Both deep, drilled wells and shallow surface wells in the vicinity of the repository were considered. The simulations covered the time period from the present to 1000 years after the present. Conceptually the fractured bedrock consists of planar fracture zones (with a high fracture density and a greater ability to conduct water) and the intact rock (in which the fracture density and the hydraulic conductivity are low). For them the equivalent-continuum model was applied separately. Thus, the fractured bedrock was considered as piecewise homogeneous (except for the depth dependence) and isotropic continuum with representative average characteristics. A generic simulation model for groundwater flow and solute transport was developed on ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

Developed under the PN II Project 71-009 - MONA, the pre-operational monitoring program of the LIL waste disposal site presented in this paper covers the main elements requested for a continuous improvement of site characterization and safety assessment, as well as for the set up of the baseline data requested for the future operational and post-operational monitoring and surveillance. These elements are: vadose and saturated zones hydrogeology, surface erosion, meteorology and radionuclides content in waters, soil and biota. Pairs of TDR (Time Domain Reflectometry) and pressure sensors, coupled with a meteorological station have been installed on site for the continuously measurement of the water content and matric potential changes due to the climate variations. The data will be used to follow the water balance, the pores water velocity and to calculate the infiltration rate. A ...

CERN Document Server

We study the finite temperature electroweak transition with non-perturbative lattice Monte Carlo simulations. We find that it is of first order, at least for Higgs masses up to 80 GeV. The critical temperature of the phase transition is found to be smaller than that determined by a 2-loop renormalization group improved effective potential. The jump of the order parameter at the critical temperature is considerably larger than the perturbative value. By comparing lattice data and perturbation theory, we demonstrate that the latter, for the computation of the vacuum expectation value of the Higgs field v(T) in the broken phase at given temperature, converges quite well, provided v(T)/T>1. An upper bound on the Higgs mass necessary for electroweak baryogenesis in the light of the lattice data is briefly discussed.

International Nuclear Information System (INIS)

Luminescence properties of SiAlON phosphors codoped with Ca and Yb were investigated by changing the host lattice composition. These modifications of the host lattice were obtained by replacing Si-N bonds by Al-N and Al-O bonds. Their photoluminescence (PL) and cathodoluminescence (CL) properties were measured and compared with each other. PL allows observing the influence of the host lattice modifications by measuring wider areas. CL can excite all luminescent centers, in particular the UV luminescence centers, even if their amount is small. Thus, two additional peaks in the ultraviolet and infrared regions were observed in CL, which is not observed by PL. This work suggests that the combination of PL and CL gives more understanding about the luminescence of SiAlON phosphors, in particular the role of the secondary phases on their properties.

CERN Document Server

In this paper we have studied the relation between the intutionistic fuzzy left (respectively right) ideals of {\\Gamma}-semiring and that of operator semiring. Thereafter, we have established that the Lattices of all intutionistic fuzzy left (respectively right) ideal of {\\Gamma}-semiring is equivalent to that of Left operator semiring. We proved that Then there exist an inclusion preserving bijection ({\\mu}_{A,}\\u{psion}_{A})$\\rightarrow$({\\mu}_{B}^{+'},\\u{psion}_{B}^{+'}) between the lattices of all intuitionistic fuzzy right ideals (respectively intuitionistic fuzzy ideals) of S and the lattices of all intuitionistic fuzzy right ideals (respectively intuitionistic fuzzy ideals) of L. Where ({\\mu}_{A},\\u{psion}_{A}) is an intuitionistic fuzzy right (respectively intuitionistic fuzzy ideals) ideal of S. Also we have established few properties relating the k-ideals and h-ideals of {\\Gamma}-semiring with that of ...

International Nuclear Information System (INIS)

The effect of lattice damage caused by room temperature irradiations with products of "1"0B(n,#alpha#)"7Li reactions and "2"3"5U fissions and with fast neutrons on transition curves, quenching curves, and lattice constants of Nb_3Sn, Nb_3Al, Nb_3(Al,Ge), and V_3Si have been investigated. The critical currents in transverse magnetic fields could be increased up to more than one order of magnitude. For heavily irradiated samples drastically reduced values for the critical currents, the upper critical fields, and the transition temperatures were observed. The lattice constants were increased up to 0.5 percent by irradiation. (U.S.).

International Nuclear Information System (INIS)

Purpose: In this paper, we present an alternative to the originally proposed technique for the delivery of spatially fractionated radiation therapy (GRID) using multi-leaf collimator (MLC) shaped fields. We employ the MLC to deliver various pattern GRID treatments to large solid tumors and dosimetrically characterize the GRID fields. Methods and materials: The GRID fields were created with different open to blocked area ratios and with variable separation between the openings using a MLC. GRID designs were introduced into the Pinnacle"3 treatment planning system, and the dose was calculated in a water phantom. Ionization chamber and film measurements using both Kodak EDR2 and Gafchromic EBT film were performed in a SolidWater phantom to determine the relative output of each GRID design as well as its spatial dosimetric characteristics. Results: Agreement within 5.0% was observed between the Pinnacle"3 predicted dose ...

International Nuclear Information System (INIS)

The use of high pressure waterjets (HPWJ) as oil barriers has been proposed and tested. It has been shown that a series of waterjets directed horizontally above the free water surface provide an effective means of containing or deflecting oil slicks. The waterjets generate a high speed air flow capable of moving the surface layer of the liquid. A numerical model is implemented to study the characteristics of the entrained turbulent air flow using the Spectral Element Method (SEM) and an algebraic turbulent model for the Reynolds stresses. A test of the code is done for turbulent Couette Flow to check the accuracy of the calculated shear stresses against published data. A parametric study is performed to evaluate the HPWJ system performance at various operating and design parameters which include manifold pressure, nozzle flow rate, nozzle characteristics, jet height and surface wave conditions. The total driving shear force and power required ...

Science.gov (United States)

for? Learn the Issues Science & Technology Laws & Regulations About EPA Contact Us Water: Water Quality Criteria You are here: Water Science & Technology Surface Water Standards &...

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

This is an overview of the present-day versions of monadology with some applications to vector lattices and linear inequalities. Two approaches to combining nonstandard set-theoretic models are sketched and illustrated by order convergence, principal projection, and polyhedrality.

Science.gov (United States)

It was thus actually the fourth stage of the rocket assembly. ... package, and several temperature sensors - was mounted in the cross-lattice frame. ... Earth's geomagnetic field and incoming charged particles from the Sun and extra-solar space. ...

UK PubMed Central (United Kingdom)

In Diffusion Tensor Magnetic Resonance Image (DT-MRI) processing a 2^nd order tensor has been commonly used to approximate the diffusivity function at each lattice...Full Text Available

Science.gov (United States)

The purpose of this communication is to determine whether the solubility enhancements for cold-worked Pd-Ni alloys increase or decrease with atom fraction of Ni. Substitutional Ni atoms contract and Pd lattice, in contrast to the lattice expansion resulting from substitutional Ag in Pd. The Pd-Ni alloy system forms a continuous series of fcc solid solution alloys over the whole composition range. The solubility enhancements will also be determined for a series of homogeneous, ternary Pd[sub 1[minus]x]Ni[sub 1/2x]Ag[sub 1/2x] alloys for x in the range from 0 to 0.2. For this series of ternary alloys the fcc lattice parameters do not change significantly from that of pure Pd. The alloys used in this research were purchased from Tanaka Kikinzoku Kogyo K.K. The detailed experimental procedure has been described previously. The alloys were all deformed by cold-rolling ca 90%. Both the binary and ternary alloys showed only single ...