The rate coefficients for the processes of (n - n')-mixing in collisions of Rydberg atoms H*(n) with H(1s) atoms

Energy Technology Data Exchange (ETDEWEB)

Mihajlov, A A [Institute of Physics, PO Box 57, 11001 Belgrade (Serbia and Montenegro); Ignjatovic, Lj M [Institute of Physics, PO Box 57, 11001 Belgrade (Serbia and Montenegro); Djuric, Z [Silvaco Data Systems, Compass Point, St Ives PE27 5JL (United Kingdom); Ljepojevic, N N [Silvaco Data Systems, Compass Point, St Ives PE27 5JL (United Kingdom)

2004-11-28

This paper presents the results of semi-classical calculations of rate coefficients of (n - n')-mixing processes in collisions of Rydberg atoms H*(n) with H(1s) atoms. These processes have been modelled by the mechanism of the resonant energy exchange within the electron component of the H*(n) + H collisional system. The calculations of the rate coefficients, based on this model, were performed for the series of principal quantum numbers, n and n', and atomic, T{sub a}, and electronic, T{sub e}, temperatures. It was shown that these processes can be of significant influence on the populations of Rydberg atoms in weakly ionized plasmas (ionization degree {approx}<10{sup -4}), and therefore have to be included in appropriate models of such plasmas.

Method to determine the sticking coefficient of precursor molecules in atomic layer deposition

International Nuclear Information System (INIS)

Rose, M.; Bartha, J.W.

2009-01-01

A method to determine the sticking coefficient of precursor molecules used in atomic layer deposition (ALD) will be introduced. The sticking coefficient is an interesting quantity for comparing different ALD processes and reactors but it cannot be observed easily. The method relies on free molecular flow in nanoscale cylindrical holes. The sticking coefficient is determined for tetrakis(dimethylamino)titanium in combination with ozone. The proposed method can be applied independent of the type of reactor, precursor delivery system and precursors.

Mass attenuation coefficients, effective atomic and electron numbers of stainless steel and carbon steels with different energies

International Nuclear Information System (INIS)

Mohd Fakarudin Abdul Rahman; Mohd Iqbal Saripan; Nor Paiza Mohamad Hasan; Ismail Mustapha

2011-01-01

The total mass attenuation coefficients (μ/ ρ) of stainless steel (SS316L) and carbon steel (A516) that are widely used as petrochemical plant components, such as distillation column, heat exchanger, boiler and storage tank were measured at 662, 1073 and 1332 keV of photon energies. Measurements of radiation intensity for various thicknesses of steel were made by using transmission method. The γ-ray intensity were counted by using a Gamma spectrometer that contains a Hyper-pure Germanium (HPGe) detector connected with Multi Channel Analyzer (MCA). The effective numbers of atomic (Z eff ) and electron (N eff ) obtained experimentally were compared by those obtained through theoretical calculation. Both experimental and calculated values of Z eff and N eff were in good agreement. (author)

Linear Coefficient of Thermal Expansion of Porous Anodic Alumina Thin Films from Atomic Force Microscopy

OpenAIRE

Zhang, Richard X; Fisher, Timothy; Raman, Arvind; Sands, Timothy D

2009-01-01

In this article, a precise and convenient technique based on the atomic force microscope (AFM) is developed to measure the linear coefficient of thermal expansion of a porous anodic alumina thin film. A stage was used to heat the sample from room temperature up to 450 K. Thermal effects on AFM probes and different operation modes at elevated temperatures were also studied, and a silicon AFM probe in the tapping mode was chosen for the subsequent measurements due to its temperature insensitivi...

Statistical electron angular correlation coefficients for atoms within the Hohenberg-Kohn-Sham theory

International Nuclear Information System (INIS)

Pathak, R.K.

1985-01-01

Statistical electron angular correlation coefficients tau = 2 2 He through 14 Si, within the Hohenberg-Kohn-Sham density-functional formalism. These are computed with use of the spectral sum rules obtained from the pseudoexcitation spectrum employing the recent formulation of the time-dependent Kohn-Sham theory due to Bartolotti. Various approximations to the exchange-correlation energy functional are used and for first-row atoms, a comparison is made with the highly accurate correlation coefficients recently obtained by Thakkar. The present tau values show closer agreement with those of Thakkar with increasing number of electrons

An effective neodimium segregation coefficient in neodimium-doped yttrium-aluminum-garnet crystal growth by pulling method

International Nuclear Information System (INIS)

Shiroki, Ken-ichi; Kuwano, Yasuhiko

1978-01-01

Effective Nd segregation coefficient in the Nd:YAG (Nd-doped Y 3 Al 5 O 12 ) crystal growth by pulling method was determined precisely over 0 -- 1.3 atom% Nd concentration range at a 0.6 mm hr -1 growth rate. Two Nd:YAG crystals (-- 20 g) were grown from a large melt (-- 1 kg). Neodymium concentrations in the crystals and residual melts were estimated by fluorescent X-ray analysis, and a value of 0.21 was obtained as the effective segregation coefficient. Next, the optical absorption coefficient of Nd:YAG crystal at 5889 A absorption peak was measured in order to analyze a small specimen for Nd by optical absorption measurements. The optical absorption coefficient of 0.97 mm -1 .atom% -1 was determined in this way. The Nd concentrations, calculated by the segregation coefficient, agreed well with those obtained by optical absorption measurements at 5889 A for six successively grown Nd:YAG crystals. Therefore, the obtained segregation coefficient, 0.21, was confirmed as a reliable value for the Nd:YAG crystal growth by the pulling method. (auth.)

Band structure of one-dimensional doped photonic crystal with three level atoms using the Fresnel coefficients method

Science.gov (United States)

Jafari, A.; Rahmat, A.; Bakkeshizadeh, S.

2018-01-01

We consider a one-dimensional photonic crystal (1DPC) composed of double-layered dielectrics. Electric permittivity and magnetic permeability of this crystal depends on the incident electromagnetic wave frequency. We suppose that three level atoms have been added to the second layer of each dielectric and this photonic crystal (PC) has been doped. These atoms can be added to the layer with different rates. In this paper, we have calculated and compared the band structure of the mentioned PC considering the effect of added atoms to the second layer with different rates through the Fresnel coefficients method. We find out that according to the effective medium theory, the electric permittivity of the second layer changes. Also the band structure of PC for both TE and TM polarizations changes, too. The width of bandgaps related to “zero averaged refractive index” and “Bragg” increases. Moreover, new gap branches appear in new frequencies at both TE and TM polarizations. In specific state, two branches of “zero permittivity” gap appear in the PC band structure related to TM polarization. With increasing the amount of the filling rate of total volume with three level atoms, we observe a lot of changes in the PC band structure.

Measurement of partial coefficients of sputtering of titanium atoms from TiC and TiN coatings

International Nuclear Information System (INIS)

Vychegzhanin, G.A.; Gribanov, Yu.A.; Dikij, N.P.; Zhmurin, P.N.; Letuchij, A.N.; Matyash, P.P.; Sidokur, P.I.; Shono, D.A.

1989-01-01

Method of laser fluorescent spectroscopy was used to measure partial coefficients of sputtering of titanium atoms from TiC and TiN coatings under irradiation by 1 keV hydrogen ions. Irradiation was conducted in a plant with reflective discharge. Investigation of damaged layer in irradiated samples was conducted. The presence of near-the-surface layer enrichment with titanium atoms was revealed both in TiC and TiN samples. 12 refs.; 4 figs

Derivation of linear attenuation coefficients from CT numbers for low-energy photons

International Nuclear Information System (INIS)

Watanabe, Y.

1999-01-01

One can estimate photon attenuation properties from the CT number. In a standard method one assumes that the linear attenuation coefficient is proportional to electron density and ignores its nonlinear dependence on atomic number. When the photon energy is lower than about 50 keV, such as for brachytherapy applications, however, photoelectric absorption and Rayleigh scattering become important. Hence the atomic number must be explicitly considered in estimating the linear attenuation coefficient. In this study we propose a method to more accurately estimate the linear attenuation coefficient of low-energy photons from CT numbers. We formulate an equation that relates the CT number to the electron density and the effective atomic number. We use a CT calibration phantom to determine unknown coefficients in the equation. The equation with a given CT number is then solved for the effective atomic number, which in turn is used to calculate the linear attenuation coefficient for low-energy photons. We use the CT phantom to test the new method. The method significantly improves the standard method in estimating the attenuation coefficient at low photon energies (20keV≤E≤40keV) for materials with high atomic numbers. (author)

Concept of effective atomic number and effective mass density in dual-energy X-ray computed tomography

International Nuclear Information System (INIS)

Bonnin, Anne; Duvauchelle, Philippe; Kaftandjian, Valérie; Ponard, Pascal

2014-01-01

This paper focuses on dual-energy X-ray computed tomography and especially the decomposition of the measured attenuation coefficient in a mass density and atomic number basis. In particular, the concept of effective atomic number is discussed. Although the atomic number is well defined for chemical elements, the definition of an effective atomic number for any compound is not an easy task. After reviewing different definitions available in literature, a definition related to the method of measurement and X-ray energy, is suggested. A new concept of effective mass density is then introduced in order to characterize material from dual-energy computed tomography. Finally, this new concept and definition are applied on a simulated case, focusing on explosives identification in luggage

Atmospheric reactions of methylcyclohexanes with Cl atoms and OH radicals: determination of rate coefficients and degradation products.

Science.gov (United States)

Ballesteros, Bernabé; Ceacero-Vega, Antonio A; Jiménez, Elena; Albaladejo, José

2015-04-01

As the result of biogenic and anthropogenic activities, large quantities of chemical compounds are emitted into the troposphere. Alkanes, in general, and cycloalkanes are an important chemical class of hydrocarbons found in diesel, jet and gasoline, vehicle exhaust emissions, and ambient air in urban areas. In general, the primary atmospheric fate of organic compounds in the gas phase is the reaction with hydroxyl radicals (OH). The oxidation by Cl atoms has gained importance in the study of atmospheric reactions because they may exert some influence in the boundary layer, particularly in marine and coastal environments, and in the Arctic troposphere. The aim of this paper is to study of the atmospheric reactivity of methylcylohexanes with Cl atoms and OH radicals under atmospheric conditions (in air at room temperature and pressure). Relative kinetic techniques have been used to determine the rate coefficients for the reaction of Cl atoms and OH radicals with methylcyclohexane, cis-1,4-dimethylcyclohexane, trans-1,4-dimethylcyclohexane, and 1,3,5-trimethylcyclohexane at 298 ± 2 K and 720 ± 5 Torr of air by Fourier transform infrared) spectroscopy and gas chromatography-mass spectrometry (GC-MS) in two atmospheric simulation chambers. The products formed in the reaction under atmospheric conditions were investigated using a 200-L Teflon bag and employing the technique of solid-phase microextraction coupled to a GC-MS. The rate coefficients obtained for the reaction of Cl atoms with the studied compounds are the following ones (in units of 10(-10) cm(3) molecule(-1) s(-1)): (3.11 ± 0.16), (2.89 ± 0.16), (2.89 ± 0.26), and (2.61 ± 0.42), respectively. For the reactions with OH radicals the determined rate coefficients are (in units of 10(-11) cm(3) molecule(-1) s(-1)): (1.18 ± 0.12), (1.49 ± 0.16), (1.41 ± 0.15), and (1.77 ± 0.23), respectively. The reported error is twice the standard deviation. A detailed

Molar extinction coefficients of solutions of some organic compounds

Indian Academy of Sciences (India)

efficients of these compounds have been used to calculate effective atomic numbers and electron densities. The additivity ... Molar extinction coefficients; effective atomic numbers; electron density. PACS Nos 29.30. ... the radiation path and is linearly dependent on the concentration of the absorbing species. This is most ...

Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.

Science.gov (United States)

Lara, A; Riquelme, M; Vöhringer-Martinez, E

2018-05-11

Partition coefficients serve in various areas as pharmacology and environmental sciences to predict the hydrophobicity of different substances. Recently, they have also been used to address the accuracy of force fields for various organic compounds and specifically the methylated DNA bases. In this study, atomic charges were derived by different partitioning methods (Hirshfeld and Minimal Basis Iterative Stockholder) directly from the electron density obtained by electronic structure calculations in a vacuum, with an implicit solvation model or with explicit solvation taking the dynamics of the solute and the solvent into account. To test the ability of these charges to describe electrostatic interactions in force fields for condensed phases, the original atomic charges of the AMBER99 force field were replaced with the new atomic charges and combined with different solvent models to obtain the hydration and chloroform solvation free energies by molecular dynamics simulations. Chloroform-water partition coefficients derived from the obtained free energies were compared to experimental and previously reported values obtained with the GAFF or the AMBER-99 force field. The results show that good agreement with experimental data is obtained when the polarization of the electron density by the solvent has been taken into account, and when the energy needed to polarize the electron density of the solute has been considered in the transfer free energy. These results were further confirmed by hydration free energies of polar and aromatic amino acid side chain analogs. Comparison of the two partitioning methods, Hirshfeld-I and Minimal Basis Iterative Stockholder (MBIS), revealed some deficiencies in the Hirshfeld-I method related to the unstable isolated anionic nitrogen pro-atom used in the method. Hydration free energies and partitioning coefficients obtained with atomic charges from the MBIS partitioning method accounting for polarization by the implicit solvation model

Effective atomic number and electron density of marble concrete

International Nuclear Information System (INIS)

Akkurt, I.; El-Khayatt, A.M.

2013-01-01

The effective atomic numbers (Z eff ) and effective electron density (N e ) of different type concrete have been measured and the results were compared with the calculation obtained using the mass attenuation coefficients (μ/ρ) obtained via XCOM in the photon energy range of 1 keV-100 GeV. Six different concrete in where marble has been used in the rate of 0, 5, 10, 15, 20, 25 %, has been used in the study. (author)

Dynamic polarizabilities and Van der Waals coefficients for alkali atoms Li, Na and alkali dimer molecules Li2, Na2 and NaLi

Science.gov (United States)

Mérawa, M.; Dargelos, A.

1998-07-01

The present paper gives an account of investigations of the polarizability of the alkali atoms Li, Na, diatomics homonuclear and heteronuclear Li2, Na2 and NaLi at SCF (Self Consistent Field) level of approximation and at correlated level, using a time Time-Dependent Gauge Invariant method (TDGI). Our static polarizability values agree with the best experimental and theoretical determinations. The Van der Waals C6 coefficients for the atom-atom, atom-dimer and dimer-dimer interactions have been evaluated. Les polarisabilités des atomes alcalins Li, Na, et des molécules diatomiques homonucléaires et hétéronucléaire Li2, Na2 et NaLi, ont été calculées au niveau SCF (Self Consistent Field) et au niveau corrélé à partir d'une méthode invariante de jauge dépendante du temps(TDGI). Nos valeurs des polarisabilités statiques sont en accord avec les meilleurs déterminations expérimentales et théoriques. Les coefficients C6 de Van de Waals pour les interactions atome-atome, atome-dimère et dimère-dimère ont également été évalués.

Determination of Krypton Diffusion Coefficients in Uranium Dioxide Using Atomic Scale Calculations.

Science.gov (United States)

Vathonne, Emerson; Andersson, David A; Freyss, Michel; Perriot, Romain; Cooper, Michael W D; Stanek, Christopher R; Bertolus, Marjorie

2017-01-03

We present a study of the diffusion of krypton in UO 2 using atomic scale calculations combined with diffusion models adapted to the system studied. The migration barriers of the elementary mechanisms for interstitial or vacancy assisted migration are calculated in the DFT+U framework using the nudged elastic band method. The attempt frequencies are obtained from the phonon modes of the defect at the initial and saddle points using empirical potential methods. The diffusion coefficients of Kr in UO 2 are then calculated by combining this data with diffusion models accounting for the concentration of vacancies and the interaction of vacancies with Kr atoms. We determined the preferred mechanism for Kr migration and the corresponding diffusion coefficient as a function of the oxygen chemical potential μ O or nonstoichiometry. For very hypostoichiometric (or U-rich) conditions, the most favorable mechanism is interstitial migration. For hypostoichiometric UO 2 , migration is assisted by the bound Schottky defect and the charged uranium vacancy, V U 4- . Around stoichiometry, migration assisted by the charged uranium-oxygen divacancy (V UO 2- ) and V U 4- is the favored mechanism. Finally, for hyperstoichiometric or O-rich conditions, the migration assisted by two V U 4- dominates. Kr migration is enhanced at higher μ O , and in this regime, the activation energy will be between 4.09 and 0.73 eV depending on nonstoichiometry. The experimental values available are in the latter interval. Since it is very probable that these values were obtained for at least slightly hyperstoichiometric samples, our activation energies are consistent with the experimental data, even if further experiments with precisely controlled stoichiometry are needed to confirm these results. The mechanisms and trends with nonstoichiometry established for Kr are similar to those found in previous studies of Xe.

QED effects on individual atomic orbital energies

Science.gov (United States)

Kozioł, Karol; Aucar, Gustavo A.

2018-04-01

Several issues, concerning QED corrections, that are important in precise atomic calculations are presented. The leading QED corrections, self-energy and vacuum polarization, to the orbital energy for selected atoms with 30 ≤ Z ≤ 118 have been calculated. The sum of QED and Breit contributions to the orbital energy is analyzed. It has been found that for ns subshells the Breit and QED contributions are of comparative size, but for np and nd subshells the Breit contribution takes a major part of the QED+Breit sum. It has also, been found that the Breit to leading QED contributions ratio for ns subshells is almost independent of Z. The Z-dependence of QED and Breit+QED contributions per subshell is shown. The fitting coefficients may be used to estimate QED effects on inner molecular orbitals. We present results of our calculations for QED contributions to orbital energy of valence ns-subshell for group 1 and 11 atoms and discuss about the reliability of these numbers by comparing them with experimental first ionization potential data.

Simulation of photon attenuation coefficients for high effective shielding material Lead-Boron Polyethyene

Science.gov (United States)

Zhang, L.; Jia, M. C.; Gong, J. J.; Xia, W. M.

2017-12-01

The mass attenuation coefficient of various Lead-Boron Polyethylene samples which can be used as the photon shielding materials in marine reactor, have been simulated using the MCNP-5 code, and compared with the theoretical values at the photon energy range 0.001MeV—20MeV. A good agreement has been observed. The variations of mass attenuation coefficient, linear attenuation coefficient and mean free path with photon energy between 0.001MeV to 100MeV have been plotted. The result shows that all the coefficients strongly depends on the photon energy, material atomic composition and density. The dose transmission factors for source Cesium-137 and Cobalt-60 have been worked out and their variations with the thickness of various sample materials have also been plotted. The variations show that with the increase of materials thickness the dose transmission factors decrease continuously. The results of this paper can provide some reference for the use of the high effective shielding material Lead-Boron Polyethyene.

Theoretical expression of the internal conversion coefficient of a M1 transition between two atomic states

International Nuclear Information System (INIS)

Attallah, F.; Chemin, J.F.; Scheurer, J.N.; Karpeshin, F.; Harston, M.

1997-01-01

We have established a general relation for the expression of the internal conversion of an M 1 transition a 1s electronic state to an empty ns electronic bound state. Under the hypothesis that the density of the electron level ρ n satisfies the condition ρ n Γ >> 1 (where Γ is the total width of the excited atomic state) a calculation in the first order gives a relation for the internal conversion coefficient.This relation shows that the internal conversion coefficient takes a resonant character when the nuclear energy transition is smaller than the binding energy of the 1s electron. An application of this relation to an M 1 transition in the case of the ion 125 T e with a charge state Q = 45 and an 1s electron binding energy E B 45 = 35.581 KeV gives the value for the internal conversion coefficient R = 5.7

Ground-state populations of atomic hydrogen and hydrogen-like ions in nonthermal plasmas, and collisional-radiative recombination and ionization coefficients

International Nuclear Information System (INIS)

Drawin, H.W.; Emard, F.

1978-01-01

The populations of atomic hydrogen and hydrogen-like ions have been calculated using a collisional-radiative model. The global collisional-radiative excitation coefficients rsub(j)sup((0)) and rsub(j)sup((1)) valid for homogeneous-stationary and/or quasi-homogeneous quasi-stationary plasmas were published recently. The present paper contains in tabulated form the ground state populations and Saha decrements for the homogeneous stationary state, and the collisional-radiative recombination and ionization coefficients. (Auth.)

Interactions of C+(2PJ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients

Science.gov (United States)

Tuttle, William D.; Thorington, Rebecca L.; Viehland, Larry A.; Breckenridge, W. H.; Wright, Timothy G.

2018-03-01

Accurate interatomic potentials were calculated for the interaction of a singly charged carbon cation, C+, with a single rare gas atom, RG (RG = Ne-Xe). The RCCSD(T) method and basis sets of quadruple-ζ and quintuple-ζ quality were employed; each interaction energy was counterpoise corrected and extrapolated to the basis set limit. The lowest C+(2P) electronic term of the carbon cation was considered, and the interatomic potentials calculated for the diatomic terms that arise from these: 2Π and 2Σ+. Additionally, the interatomic potentials for the respective spin-orbit levels were calculated, and the effect on the spectroscopic parameters was examined. In doing this, anomalously large spin-orbit splittings for RG = Ar-Xe were found, and this was investigated using multi-reference configuration interaction calculations. The latter indicated a small amount of RG → C+ electron transfer and this was used to rationalize the observations. This is taken as evidence of an incipient chemical interaction, which was also examined via contour plots, Birge-Sponer plots and various population analyses across the C+-RG series (RG = He-Xe), with the latter showing unexpected results. Trends in several spectroscopic parameters were examined as a function of the increasing atomic number of the RG atom. Finally, each set of RCCSD(T) potentials was employed, including spin-orbit coupling to calculate the transport coefficients for C+ in RG, and the results were compared with the limited available data. This article is part of the theme issue `Modern theoretical chemistry'.

Size effects on the transport coefficient of liquid lithium, sodium and potassium using a soft sphere potential

International Nuclear Information System (INIS)

Adebayo, G.A.; Anusionwu, B.C.

2004-08-01

The dependence of the self diffusion coefficient of atoms in liquid Lithium, Sodium and Potassium, interacting through a soft sphere potential, on the number of atoms have been investigated using Molecular Dynamics Simulation at various temperatures. Our calculations predict non-linear relationship between the diffusion coefficient and the number of particles at high densities and medium or low temperatures. The radial distribution function obtained agrees well with experiment. (author)

Surface diffusion coefficient of Au atoms on single layer graphene grown on Cu

Energy Technology Data Exchange (ETDEWEB)

Ruffino, F., E-mail: francesco.ruffino@ct.infn.it; Cacciato, G.; Grimaldi, M. G. [Dipartimento di Fisica ed Astronomia-Universitá di Catania, via S. Sofia 64, 95123 Catania, Italy and MATIS IMM-CNR, via S. Sofia 64, 95123 Catania (Italy)

2014-02-28

A 5 nm thick Au film was deposited on single layer graphene sheets grown on Cu. By thermal processes, the dewetting phenomenon of the Au film on the graphene was induced so to form Au nanoparticles. The mean radius, surface-to-surface distance, and surface density evolution of the nanoparticles on the graphene sheets as a function of the annealing temperature were quantified by scanning electron microscopy analyses. These quantitative data were analyzed within the classical mean-field nucleation theory so to obtain the temperature-dependent Au atoms surface diffusion coefficient on graphene: D{sub S}(T)=[(8.2±0.6)×10{sup −8}]exp[−(0.31±0.02(eV)/(at) )/kT] cm{sup 2}/s.

C6 Coefficients and Dipole Polarizabilities for All Atoms and Many Ions in Rows 1-6 of the Periodic Table.

Science.gov (United States)

Gould, Tim; Bučko, Tomáš

2016-08-09

Using time-dependent density functional theory (TDDFT) with exchange kernels, we calculate and test imaginary frequency-dependent dipole polarizabilities for all atoms and many ions in rows 1-6 of the periodic table. These are then integrated over frequency to produce C6 coefficients. Results are presented under different models: straight TDDFT calculations using two different kernels; "benchmark" TDDFT calculations corrected by more accurate quantum chemical and experimental data; and "benchmark" TDDFT with frozen orbital anions. Parametrizations are presented for 411+ atoms and ions, allowing results to be easily used by other researchers. A curious relationship, C6,XY ∝ [αX(0)αY(0)](0.73), is found between C6 coefficients and static polarizabilities α(0). The relationship C6,XY = 2C6,XC6,Y/[(αX/αY)C6,Y + (αY/αX)C6,X] is tested and found to work well (30% errors) in a small fraction of cases.

Third-order perturbation theory for van der Waals interaction coefficients

International Nuclear Information System (INIS)

Tang Liyan; Shi Tingyun; Yan Zongchao; Mitroy, J.

2011-01-01

The third-order expression for the dispersion interaction between two atoms is written as a sum over lists of transition matrix elements. Particular attention is given to the C 9 /R 9 interaction which occurs in the homonuclear case when one atom is in an S state and the other is in a P state. Numerical values of the C 9 coefficient are given for the homonuclear alkali-metal dimers. The size of the C 9 :C 3 dispersion coefficient ratio increases for the heavier alkali-metal atoms. The C 11 and C 13 coefficients between two helium atoms and lithium atoms in their ground states are also given.

Third-order perturbation theory for van der Waals interaction coefficients

Energy Technology Data Exchange (ETDEWEB)

Tang Liyan; Shi Tingyun [State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China); Yan Zongchao [Center for Cold Atom Physics, Chinese Academy of Sciences, Wuhan 430071 (China); Department of Physics, Wuhan University, Wuhan 430072 (China); Department of Physics, University of New Brunswick, Fredericton, New Brunswick, E3B 5A3 (Canada); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia)

2011-11-15

The third-order expression for the dispersion interaction between two atoms is written as a sum over lists of transition matrix elements. Particular attention is given to the C{sub 9}/R{sup 9} interaction which occurs in the homonuclear case when one atom is in an S state and the other is in a P state. Numerical values of the C{sub 9} coefficient are given for the homonuclear alkali-metal dimers. The size of the C{sub 9}:C{sub 3} dispersion coefficient ratio increases for the heavier alkali-metal atoms. The C{sub 11} and C{sub 13} coefficients between two helium atoms and lithium atoms in their ground states are also given.

Optical coefficients in a semiconductor quantum ring: Electric field and donor impurity effects

Science.gov (United States)

Duque, C. M.; Acosta, Ruben E.; Morales, A. L.; Mora-Ramos, M. E.; Restrepo, R. L.; Ojeda, J. H.; Kasapoglu, E.; Duque, C. A.

2016-10-01

The electron states in a two-dimensional quantum dot ring are calculated in the presence of a donor impurity atom under the effective mass and parabolic band approximations. The effect of an externally applied electric field is also taken into account. The wavefunctions are obtained via the exact diagonalization of the problem Hamiltonian using a 2D expansion within the adiabatic approximation. The impurity-related optical response is analyzed via the optical absorption, relative refractive index change and the second harmonics generation. The dependencies of the electron states and these optical coefficients with the changes in the configuration of the quantum ring system are discussed in detail.

A method to determine exactly the effective atomic number, electron density and absorbtion coefficient of materials from two Computer-Tomography measurement

International Nuclear Information System (INIS)

Christ, G.

1981-01-01

By the method of computer tomography, which is in use since about 10 years, X-ray images of a layer of interest can be produced without interference from the material present above this layer. An integral measurement of the attenuation of continuous X-radiation is sufficient to record the different attenuation behaviour in a layer for the purpose of image formation. For more information, however, can be obtained by taking into account the spectral distribution of the X-ray source and the energy dependence of the attenuation, which varies for different materials. In the experimental part of this work the measurement of the spectral distribution is described together with the necessary corrections, and the possible application of the cross sections for the relevant interaction processes, which are known from the literature is studied. As shown in the theoretical part, the attenuation coefficient can be described by an effective atomic number and the electron density of the absorber in the case of an arbitrary mixture of absorbing materials and a continuous X-ray spectrum. These two unknown material parameters can be determined by a method based on the measurement of two spectra with different spectral distribution. This is demonstrated by a one-dimensional and a two-dimensional computer simulation. (orig./WU) [de

Effective atomic numbers, electron densities and kinetic energy released in matter of vitamins for photon interaction

Science.gov (United States)

Shantappa, A.; Hanagodimath, S. M.

2014-01-01

Effective atomic numbers, electron densities of some vitamins (Retinol, Riboflavin, Niacin, Biotin, Folic acid, Cobalamin, Phylloquinone and Flavonoids) composed of C, H, O, N, Co, P and S have been calculated for total and partial photon interactions by the direct method for energy range 1 keV-100 GeV by using WinXCOM and kinetic energy released in matter (Kerma) relative to air is calculated in energy range of 1 keV-20 MeV. Change in effective atomic number and electron density with energy is calculated for all photon interactions. Variation of photon mass attenuation coefficients with energy are shown graphically only for total photon interaction. It is observed that change in mass attenuation coefficient with composition of different chemicals is very large below 100 keV and moderate between 100 keV and 10 MeV and negligible above 10 MeV. Behaviour of vitamins is almost indistinguishable except biotin and cobalamin because of large range of atomic numbers from 1(H) to 16 (S) and 1(H) to 27(Co) respectively. K a value shows a peak due to the photoelectric effect around K-absorption edge of high- Z constituent of compound for biotin and cobalamin.

Measurements of the diffusion and reflection coefficients of Cd(1S0) in noble gases

International Nuclear Information System (INIS)

Rudecki, P.; Domyslawska, J.

2003-01-01

A new method of simultaneous determining of the diffusion coefficient and the reflection coefficient of atoms from the reservoir walls is presented. The diffusion coefficient of cadmium atoms in the ground state in buffer noble gas atoms such as Ne, Ar, Kr and Xe and reflection coefficient of Cd atoms from the quartz cell wall in the temperature range 350-550 K were determined. Experimental values diffusion coefficient are compared with theoretical ones calculated from a available potentials. (author)

Effect of component substitution on the atomic dynamics in glass-forming binary metallic melts

Science.gov (United States)

Nowak, B.; Holland-Moritz, D.; Yang, F.; Voigtmann, Th.; Evenson, Z.; Hansen, T. C.; Meyer, A.

2017-08-01

We investigate the substitution of early transition metals (Zr, Hf, and Nb) in Ni-based binary glass-forming metallic melts and the impact on structural and dynamical properties by using a combination of neutron scattering, electrostatic levitation (ESL), and isotopic substitution. The self-diffusion coefficients measured by quasielastic neutron scattering (QENS) identify a sluggish diffusion as well as an increased activation energy by almost a factor of 2 for Hf35Ni65 compared to Zr36Ni64 . This finding can be explained by the locally higher packing density of Hf atoms in Hf35Ni65 compared to Zr atoms in Zr36Ni64 , which has been derived from interatomic distances by analyzing the measured partial structure factors. Furthermore, QENS measurements of liquid Hf35Ni65 prepared with 60Ni , which has a vanishing incoherent scattering cross section, have demonstrated that self-diffusion of Hf is slowed down compared to the concentration weighted self-diffusion of Hf and Ni. This implies a dynamical decoupling between larger Hf and smaller Ni atoms, which can be related to a saturation effect of unequal atomic nearest-neighbor pairs, that was observed recently for Ni-rich compositions in Zr-Ni metallic melts. In order to establish a structure-dynamics relation, measured partial structure factors have been used as an input for mode-coupling theory (MCT) of the glass transition to calculate self-diffusion coefficients for the different atomic components. Remarkably, MCT can reproduce the increased activation energy for Hf35Ni65 as well as the dynamical decoupling between Hf and Ni atoms.

Non-local thermodynamic equilibrium effects on isentropic coefficient in argon and helium thermal plasmas

International Nuclear Information System (INIS)

Sharma, Rohit; Singh, Kuldip

2014-01-01

In the present work, two cases of thermal plasma have been considered; the ground state plasma in which all the atoms and ions are assumed to be in the ground state and the excited state plasma in which atoms and ions are distributed over various possible excited states. The variation of Zγ, frozen isentropic coefficient and the isentropic coefficient with degree of ionization and non-equilibrium parameter θ(= T e /T h ) has been investigated for the ground and excited state helium and argon plasmas at pressures 1 atm, 10 atm, and 100 atm in the temperature range from 6000 K to 60 000 K. For a given value of non-equilibrium parameter, the relationship of Zγ with degree of ionization does not show any dependence on electronically excited states in helium plasma whereas in case of argon plasma this dependence is not appreciable till degree of ionization approaches 2. The minima of frozen isentropic coefficient shifts toward lower temperature with increase of non-equilibrium parameter for both the helium and argon plasmas. The lowering of non-equilibrium parameter decreases the frozen isentropic coefficient more emphatically in helium plasma at high pressures in comparison to argon plasma. The increase of pressure slightly reduces the ionization range over which isentropic coefficient almost remains constant and it does not affect appreciably the dependence of isentropic coefficient on non-equilibrium parameter

Interdiffusion, Intrinsic Diffusion, Atomic Mobility, and Vacancy Wind Effect in γ(bcc) Uranium-Molybdenum Alloy

Science.gov (United States)

Huang, Ke; Keiser, Dennis D.; Sohn, Yongho

2013-02-01

U-Mo alloys are being developed as low enrichment uranium fuels under the Reduced Enrichment for Research and Test Reactor (RERTR) Program. In order to understand the fundamental diffusion behavior of this system, solid-to-solid pure U vs Mo diffusion couples were assembled and annealed at 923 K, 973 K, 1073 K, 1173 K, and 1273 K (650 °C, 700 °C, 800 °C, 900 °C, and 1000 °C) for various times. The interdiffusion microstructures and concentration profiles were examined via scanning electron microscopy and electron probe microanalysis, respectively. As the Mo concentration increased from 2 to 26 at. pct, the interdiffusion coefficient decreased, while the activation energy increased. A Kirkendall marker plane was clearly identified in each diffusion couple and utilized to determine intrinsic diffusion coefficients. Uranium intrinsically diffused 5-10 times faster than Mo. Molar excess Gibbs free energy of U-Mo alloy was applied to calculate the thermodynamic factor using ideal, regular, and subregular solution models. Based on the intrinsic diffusion coefficients and thermodynamic factors, Manning's formalism was used to calculate the tracer diffusion coefficients, atomic mobilities, and vacancy wind parameters of U and Mo at the marker composition. The tracer diffusion coefficients and atomic mobilities of U were about five times larger than those of Mo, and the vacancy wind effect increased the intrinsic flux of U by approximately 30 pct.

Drag coefficient Variability and Thermospheric models

Science.gov (United States)

Moe, Kenneth

Satellite drag coefficients depend upon a variety of factors: The shape of the satellite, its altitude, the eccentricity of its orbit, the temperature and mean molecular mass of the ambient atmosphere, and the time in the sunspot cycle. At altitudes where the mean free path of the atmospheric molecules is large compared to the dimensions of the satellite, the drag coefficients can be determined from the theory of free-molecule flow. The dependence on altitude is caused by the concentration of atomic oxygen which plays an important role by its ability to adsorb on the satellite surface and thereby affect the energy loss of molecules striking the surface. The eccentricity of the orbit determines the satellite velocity at perigee, and therefore the energy of the incident molecules relative to the energy of adsorption of atomic oxygen atoms on the surface. The temperature of the ambient atmosphere determines the extent to which the random thermal motion of the molecules influences the momentum transfer to the satellite. The time in the sunspot cycle affects the ambient temperature as well as the concentration of atomic oxygen at a particular altitude. Tables and graphs will be used to illustrate the variability of drag coefficients. Before there were any measurements of gas-surface interactions in orbit, Izakov and Cook independently made an excellent estimate that the drag coefficient of satellites of compact shape would be 2.2. That numerical value, independent of altitude, was used by Jacchia to construct his model from the early measurements of satellite drag. Consequently, there is an altitude dependent bias in the model. From the sparce orbital experiments that have been done, we know that the molecules which strike satellite surfaces rebound in a diffuse angular distribution with an energy loss given by the energy accommodation coefficient. As more evidence accumulates on the energy loss, more realistic drag coefficients are being calculated. These improved drag

Long-range interactions between alkali and alkaline-earth atoms

International Nuclear Information System (INIS)

Jiang Jun; Cheng Yongjun; Mitroy, J

2013-01-01

Dispersion coefficients between the alkali metal atoms (Li–Rb) and alkaline-earth metal atoms (Be–Sr) are evaluated using matrix elements computed from frozen core configuration interaction calculations. Besides dispersion coefficients with both atoms in their respective ground states, dispersion coefficients are also given for the case where one atom is in its ground state and the other atom is in a low-lying excited state. (paper)

Mass attenuation coefficient (μ/ρ), effective atomic number (Zeff) and measurement of x-ray energy spectra using based calcium phosphate biomaterials: a comparative study

International Nuclear Information System (INIS)

Fernandes Z, M. A.; Da Silva, T. A.; Nogueira, M. S.; Goncalves Z, E.

2015-10-01

In dentistry, alveolar bone regeneration procedures using based calcium phosphate biomaterials have been shown effective. However,there are not reports in the literature of studies the interaction of low energy radiation in these biomaterials used as attenuator and not being then allowed a comparison between the theoretical values and experimental.The objective of this study was to determine the interaction of radiation parameters of four dental biomaterials - BioOss, Cerasorb M Dental, Straumann Boneceramic and Osteogen for diagnostic radiology qualities. As a material and methods, the composition of the biomaterials was determined by the analytical techniques. The samples with 0.181 cm to 0,297 cm thickness were experimentally used as attenuators for the measurement of the transmitted X-rays spectra in X-ray equipment with 50 to 90 kV range by spectrometric system comprising the Cd Te detector. After this procedure, the mass attenuation coefficient, the effective atomic number were determined and compared between all the specimens analyzed, using the program WinXCOM in the range of 10 to 200 keV. In all strains examined observed that the energy spectrum of x-rays transmitted through the BioOss has the mean energy slightly smaller than the others biomaterials for close thickness. The μ/ρ and Z eff of the biomaterials showed its dependence on photon energy and atomic number of the elements of the material analyzed. It is concluded according to the methodology employed in this study that the measurements of x-ray spectrum, μ/ρ and Z eff using biomaterials as attenuators confirmed that the thickness, density, composition of the samples, the incident photon energy are factors that determine the characteristics of radiation in a tissue or equivalent material. (Author)

Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.

Science.gov (United States)

Genheden, Samuel

2017-10-01

We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models

Science.gov (United States)

Genheden, Samuel

2017-10-01

We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

Determination of diffusion coefficients of oxygen atoms in ZrO2 using first-principles calculations

International Nuclear Information System (INIS)

Segi, Takashi; Okuda, Takanari

2014-01-01

Density functional theory and nudged elastic band calculations were performed in order to determine the diffusion coefficient for oxygen from monoclinic ZrO 2 . The calculated values for monoclinic ZrO 2 at 1000 K and 1500 K were 5.88 × 10 -16 cm 2 s -1 and 2.91 × 10 -11 cm 2 s -1 , respectively, and agreed with previously determined experimental values. In addition, the results of the nudged elastic band calculations suggest that interstitial oxygen sites exist between stable oxygen sites, and if oxygen atoms occupy these sites, stable structures with values for the lattice angle β of greater than 80.53° may be obtained. (author)

Effective atomic numbers (Z_e_f_f) of based calcium phosphate biomaterials: a comparative study

International Nuclear Information System (INIS)

Fernandes Zenobio, Madelon Aparecida; Gonçalves Zenobio, Elton; Silva, Teógenes Augusto da; Socorro Nogueira, Maria do

2016-01-01

This study determined the interaction of radiation parameters of four biomaterials as attenuators to measure the transmitted X-rays spectra, the mass attenuation coefficient and the effective atomic number by spectrometric system comprising the CdTe detector. The biomaterial BioOss"® presented smaller mean energy than the other biomaterials. The μ/ρ and Z_e_f_f of the biomaterials showed their dependence on photon energy. The data obtained from analytical methods of x-ray spectra, µ/ρ and Z_e_f_f_, using biomaterials as attenuators, demonstrated that these materials could be used as substitutes for dentin, enamel and bone. Further, they are determinants for the characterization of the radiation in tissues or equivalent materials. - Highlights: • Measure of the transmitted x-rays spectra using based calcium phosphate biomaterials as attenuators. • Determination effective atomic number using four dental biomaterials. • Determination of the mass attenuation coefficient (µ/ρ) of the biomaterials samples calculated by the WinXCOM software. • Determination of the chemical composition of calcium phosphate biomaterials.

Symmetric Atom–Atom and Ion–Atom Processes in Stellar Atmospheres

Directory of Open Access Journals (Sweden)

Vladimir A. Srećković

2017-12-01

Full Text Available We present the results of the influence of two groups of collisional processes (atom–atom and ion–atom on the optical and kinetic properties of weakly ionized stellar atmospheres layers. The first type includes radiative processes of the photodissociation/association and radiative charge exchange, the second one the chemi-ionisation/recombination processes with participation of only hydrogen and helium atoms and ions. The quantitative estimation of the rate coefficients of the mentioned processes were made. The effect of the radiative processes is estimated by comparing their intensities with those of the known concurrent processes in application to the solar photosphere and to the photospheres of DB white dwarfs. The investigated chemi-ionisation/recombination processes are considered from the viewpoint of their influence on the populations of the excited states of the hydrogen atom (the Sun and an M-type red dwarf and helium atom (DB white dwarfs. The effect of these processes on the populations of the excited states of the hydrogen atom has been studied using the general stellar atmosphere code, which generates the model. The presented results demonstrate the undoubted influence of the considered radiative and chemi- ionisation/recombination processes on the optical properties and on the kinetics of the weakly ionized layers in stellar atmospheres.

Measurement of mass attenuation coefficients of moderate-to-high atomic-number elements at low photon energies

International Nuclear Information System (INIS)

Tajuddin, A.A.; Chong, C.S.; Shukri, A.; Bradley, D.A.

1995-01-01

Mass attenuation coefficients for 12 selected moderate-to-high atomic-number elements have been obtained from good-geometry measurements made at five 241 Am photon energies of significant emission intensity. Particular interest focuses on measured values for photon energies close to absorption edges. Comparisons with renormalized cross-section predictions indicate agreement to within stated error limits for the majority of cases. Significant discrepancies (> 10%) are noted for Ta at 17.8 and 26.3 keV and W at 59.5 keV. Some support for a discrepancy between measurement and theory for W in the region of 60 keV is found in the reported measurements of others. (author)

Nonlinear effects in optical pumping of a cold and slow atomic beam

KAUST Repository

Porfido, N.

2015-10-12

By photoionizing hyperfine (HF) levels of the Cs state 62P3/2 in a slow and cold atom beam, we find how their population depends on the excitation laser power. The long time (around 180μs) spent by the slow atoms inside the resonant laser beam is large enough to enable exploration of a unique atom-light interaction regime heavily affected by time-dependent optical pumping. We demonstrate that, under such conditions, the onset of nonlinear effects in the population dynamics and optical pumping occurs at excitation laser intensities much smaller than the conventional respective saturation values. The evolution of population within the HF structure is calculated by numerical integration of the multilevel optical Bloch equations. The agreement between numerical results and experiment outcomes is excellent. All main features in the experimental findings are explained by the occurrence of “dark” and “bright” resonances leading to power-dependent branching coefficients.

Relativistic heavy-atom effects on heavy-atom nuclear shieldings

Science.gov (United States)

Lantto, Perttu; Romero, Rodolfo H.; Gómez, Sergio S.; Aucar, Gustavo A.; Vaara, Juha

2006-11-01

The principal relativistic heavy-atom effects on the nuclear magnetic resonance (NMR) shielding tensor of the heavy atom itself (HAHA effects) are calculated using ab initio methods at the level of the Breit-Pauli Hamiltonian. This is the first systematic study of the main HAHA effects on nuclear shielding and chemical shift by perturbational relativistic approach. The dependence of the HAHA effects on the chemical environment of the heavy atom is investigated for the closed-shell X2+, X4+, XH2, and XH3- (X =Si-Pb) as well as X3+, XH3, and XF3 (X =P-Bi) systems. Fully relativistic Dirac-Hartree-Fock calculations are carried out for comparison. It is necessary in the Breit-Pauli approach to include the second-order magnetic-field-dependent spin-orbit (SO) shielding contribution as it is the larger SO term in XH3-, XH3, and XF3, and is equally large in XH2 as the conventional, third-order field-independent spin-orbit contribution. Considering the chemical shift, the third-order SO mechanism contributes two-thirds of the difference of ˜1500ppm between BiH3 and BiF3. The second-order SO mechanism and the numerically largest relativistic effect, which arises from the cross-term contribution of the Fermi contact hyperfine interaction and the relativistically modified spin-Zeeman interaction (FC/SZ-KE), are isotropic and practically independent of electron correlation effects as well as the chemical environment of the heavy atom. The third-order SO terms depend on these factors and contribute both to heavy-atom shielding anisotropy and NMR chemical shifts. While a qualitative picture of heavy-atom chemical shifts is already obtained at the nonrelativistic level of theory, reliable shifts may be expected after including the third-order SO contributions only, especially when calculations are carried out at correlated level. The FC/SZ-KE contribution to shielding is almost completely produced in the s orbitals of the heavy atom, with values diminishing with the principal

Multielectron effects in atomic processes

International Nuclear Information System (INIS)

Amusia, M.Ya.; Chernysheva, L.V.

1999-01-01

One demonstrates a prominent role of electron collectivization in atoms and quasi-atomic formations. Paper discusses in detail the approximation of random phases with exchange enabling to take account of these effects. One points out the necessity to go outside the terms of the approximation when studying some processes via combination of the approximation with the theory of disturbances. The results of the recently conducted estimations of cross sections of photoionization of atomic iodine and of its positive and negative ions, Xe + single-electron photoionization, resonance-amplified emission of photons in electron collisions with atoms and quasi-atomic formations, non-dipole corrections to the angular distribution of photoelectrons, probabilities of two electron transitions where the whole amount of energy releases in the form of one photon, illustrate the role of the collective effects [ru

Self-consistent collisional-radiative model for hydrogen atoms: Atom–atom interaction and radiation transport

International Nuclear Information System (INIS)

Colonna, G.; Pietanza, L.D.; D’Ammando, G.

2012-01-01

Graphical abstract: Self-consistent coupling between radiation, state-to-state kinetics, electron kinetics and fluid dynamics. Highlight: ► A CR model of shock-wave in hydrogen plasma has been presented. ► All equations have been coupled self-consistently. ► Non-equilibrium electron and level distributions are obtained. ► The results show non-local effects and non-equilibrium radiation. - Abstract: A collisional-radiative model for hydrogen atom, coupled self-consistently with the Boltzmann equation for free electrons, has been applied to model a shock tube. The kinetic model has been completed considering atom–atom collisions and the vibrational kinetics of the ground state of hydrogen molecules. The atomic level kinetics has been also coupled with a radiative transport equation to determine the effective adsorption and emission coefficients and non-local energy transfer.

A parameterization scheme for the x-ray linear attenuation coefficient and energy absorption coefficient.

Science.gov (United States)

Midgley, S M

2004-01-21

A novel parameterization of x-ray interaction cross-sections is developed, and employed to describe the x-ray linear attenuation coefficient and mass energy absorption coefficient for both elements and mixtures. The new parameterization scheme addresses the Z-dependence of elemental cross-sections (per electron) using a simple function of atomic number, Z. This obviates the need for a complicated mathematical formalism. Energy dependent coefficients describe the Z-direction curvature of the cross-sections. The composition dependent quantities are the electron density and statistical moments describing the elemental distribution. We show that it is possible to describe elemental cross-sections for the entire periodic table and at energies above the K-edge (from 6 keV to 125 MeV), with an accuracy of better than 2% using a parameterization containing not more than five coefficients. For the biologically important elements 1 coefficients. At higher energies, the parameterization uses fewer coefficients with only two coefficients needed at megavoltage energies.

Mass energy-absorption coefficients and average atomic energy-absorption cross-sections for amino acids in the energy range 0.122-1.330 MeV

Energy Technology Data Exchange (ETDEWEB)

More, Chaitali V., E-mail: chaitalimore89@gmail.com; Lokhande, Rajkumar M.; Pawar, Pravina P., E-mail: pravinapawar4@gmail.com [Department of physics, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad 431004 (India)

2016-05-06

Mass attenuation coefficients of amino acids such as n-acetyl-l-tryptophan, n-acetyl-l-tyrosine and d-tryptophan were measured in the energy range 0.122-1.330 MeV. NaI (Tl) scintillation detection system was used to detect gamma rays with a resolution of 8.2% at 0.662 MeV. The measured attenuation coefficient values were then used to determine the mass energy-absorption coefficients (σ{sub a,en}) and average atomic energy-absorption cross sections (μ{sub en}/ρ) of the amino acids. Theoretical values were calculated based on XCOM data. Theoretical and experimental values are found to be in good agreement.

Mass attenuation coefficient (μ/ρ), effective atomic number (Z{sub eff}) and measurement of x-ray energy spectra using based calcium phosphate biomaterials: a comparative study

Energy Technology Data Exchange (ETDEWEB)

Fernandes Z, M. A.; Da Silva, T. A.; Nogueira, M. S. [Centro de Desenvolvimento da Tecnologia Nuclear / CNEN, Pte. Antonio Carlos 6627, Belo Horizonte 31270-901, Minas Gerais (Brazil); Goncalves Z, E., E-mail: madelon@cdtn.br [Pontifice Catholic University of Minas Gerais, Av. Dom Jose Gaspar 500, Belo Horizonte 30535-901, Minas Gerais (Brazil)

2015-10-15

In dentistry, alveolar bone regeneration procedures using based calcium phosphate biomaterials have been shown effective. However,there are not reports in the literature of studies the interaction of low energy radiation in these biomaterials used as attenuator and not being then allowed a comparison between the theoretical values and experimental.The objective of this study was to determine the interaction of radiation parameters of four dental biomaterials - BioOss, Cerasorb M Dental, Straumann Boneceramic and Osteogen for diagnostic radiology qualities. As a material and methods, the composition of the biomaterials was determined by the analytical techniques. The samples with 0.181 cm to 0,297 cm thickness were experimentally used as attenuators for the measurement of the transmitted X-rays spectra in X-ray equipment with 50 to 90 kV range by spectrometric system comprising the Cd Te detector. After this procedure, the mass attenuation coefficient, the effective atomic number were determined and compared between all the specimens analyzed, using the program WinXCOM in the range of 10 to 200 keV. In all strains examined observed that the energy spectrum of x-rays transmitted through the BioOss has the mean energy slightly smaller than the others biomaterials for close thickness. The μ/ρ and Z{sub eff} of the biomaterials showed its dependence on photon energy and atomic number of the elements of the material analyzed. It is concluded according to the methodology employed in this study that the measurements of x-ray spectrum, μ/ρ and Z{sub eff} using biomaterials as attenuators confirmed that the thickness, density, composition of the samples, the incident photon energy are factors that determine the characteristics of radiation in a tissue or equivalent material. (Author)

Atomic effect algebras with compression bases

International Nuclear Information System (INIS)

Caragheorgheopol, Dan; Tkadlec, Josef

2011-01-01

Compression base effect algebras were recently introduced by Gudder [Demonstr. Math. 39, 43 (2006)]. They generalize sequential effect algebras [Rep. Math. Phys. 49, 87 (2002)] and compressible effect algebras [Rep. Math. Phys. 54, 93 (2004)]. The present paper focuses on atomic compression base effect algebras and the consequences of atoms being foci (so-called projections) of the compressions in the compression base. Part of our work generalizes results obtained in atomic sequential effect algebras by Tkadlec [Int. J. Theor. Phys. 47, 185 (2008)]. The notion of projection-atomicity is introduced and studied, and several conditions that force a compression base effect algebra or the set of its projections to be Boolean are found. Finally, we apply some of these results to sequential effect algebras and strengthen a previously established result concerning a sufficient condition for them to be Boolean.

Determination of the Peltier Coefficient of Germanium in a Vertical Bridgeman-Stockbarger Furnace

Science.gov (United States)

Weigel, Michaela E. K.; Matthiesen, David H.

1997-01-01

The Peltier effect is the fundamental mechanism that makes interface demarcation through current pulsing possible. If a method for calculating the necessary current density for effective demarcation is to be developed, it will be necessary to know the value of the Peltier coefficient. This study determined experimentally the value of the Peltier coefficient for gallium-doped germanium by comparing the change in average growth rates between current-on and current-off periods. Current-on and current-off layer thickness measurements were made using differential interference contrast microscopy and atomic force microscopy. It was found that the Joule and Thomson effects could not be neglected. Peltier coefficients calculated from the experimental data with an analysis that accounts for Joule, Thomson, and Peltier effects yielded an average value for the Peltier coefficient of 0.076 +/- 0.015 V.

Effect of rolling motion on the expansion and contraction loss coefficients

International Nuclear Information System (INIS)

Yan, B.H.; Gu, H.Y.

2013-01-01

Highlights: ► The expansion and contraction loss coefficients in rolling motion are analyzed. ► Effects of rolling motion on the expansion and contraction loss coefficients are different. ► The spanwise and transverse additional forces contribute slightly to the local loss. ► The oscillations of loss coefficients increase as the strengthening of rolling motion. - Abstract: The sudden expansion and sudden contraction loss coefficients in rolling motion are investigated with CFD code FLUENT. The calculation results are validated with experimental and theoretical results in steady state. The effects of rolling motion on the expansion and contraction loss coefficients are different. The effects of spanwise and transverse additional forces on the expansion and contraction loss coefficients are weak. The effect of velocity oscillation on the contraction loss coefficient is more significant than that on the expansion loss coefficient. The oscillation of local loss coefficient also becomes more and more irregular as the strengthening of rolling motion

Cadmium, copper, lead, and zinc determination in precipitation: A comparison of inductively coupled plasma atomic emission spectrometry and graphite furnace atomization atomic absorption spectrometry

Science.gov (United States)

Reddy, M.M.; Benefiel, M.A.; Claassen, H.C.

1987-01-01

Selected trace element analysis for cadmium, copper, lead, and zinc in precipitation samples by inductively coupled plasma atomic emission Spectrometry (ICP) and by atomic absorption spectrometry with graphite furnace atomization (AAGF) have been evaluated. This task was conducted in conjunction with a longterm study of precipitation chemistry at high altitude sites located in remote areas of the southwestern United States. Coefficients of variation and recovery values were determined for a standard reference water sample for all metals examined for both techniques. At concentration levels less than 10 micrograms per liter AAGF analyses exhibited better precision and accuracy than ICP. Both methods appear to offer the potential for cost-effective analysis of trace metal ions in precipitation. ?? 1987 Springer-Verlag.

Calculation of effective absorption coefficient for aerosols of internal mixture

International Nuclear Information System (INIS)

Xu Bo; Huang Yinbo; Fan Chengyu; Qiao Chunhong

2012-01-01

The effective absorption coefficient with time of strong absorbing aerosol made of carbon dusts and water of internal mixture is analyzed, and the influence of different wavelengths and radius ratios on it is discussed. The shorter the wavelength is, the larger the effective absorption coefficient is , and more quickly it increases during 1-100 μs, and the largest increase if 132.65% during 1-100 μs. Different ratios between inner and outer radius have large influence on the effective absorption coefficient. The larger the ratio is, the larger the effective absorption coefficient is, and more quickly it increases during 1-100 μs. The increase of the effective absorption coefficient during 1-100 μs is larger than that during 100-1000 μs, and the largest increase is 138.66% during 1-100 μs. (authors)

Dispersion coefficients for H and He interactions with alkali-metal and alkaline-earth-metal atoms

International Nuclear Information System (INIS)

Mitroy, J.; Bromley, M.W.J.

2003-01-01

The van der Waals coefficients C 6 , C 8 , and C 10 for H and He interactions with the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are determined from oscillator strength sum rules. The oscillator strengths were computed using a combination of ab initio and semiempirical methods. The dispersion parameters generally agree with close to exact variational calculations for Li-H and Li-He at the 0.1% level of accuracy. For larger systems, there is agreement with relativistic many-body perturbation theory estimates of C 6 at the 1% level. These validations for selected systems attest to the reliability of the present dispersion parameters. About half the present parameters lie within the recommended bounds of the Standard and Certain compilation [J. Chem. Phys. 83, 3002 (1985)

X-ray absorption coefficients of the elements (Li TO Bi, U)

International Nuclear Information System (INIS)

Sasaki, Satoshi.

1990-11-01

The atomic absorption coefficient, μ a , and the mass absorption coefficient, μ/ρ, have been calculated for the elements Li to Bi and U, based on both photoelectric and scattering effects. Tables include the μ a and μ/ρ values (i) at 0.01 A intervals in the wavelength range from 0.1 to 2.89 A and (ii) at 0.0001 A intervals in the neighborhood of the K, L 1 , L 2 , and L 3 absorption edges. (author)

Estimation of radon emanation coefficient for soil and flyash

International Nuclear Information System (INIS)

Sahu, S.K.; Swarnkar, M.; Ajmal, P.Y.; Pandit, G.G.; Puranik, V.D.

2012-01-01

Since terrestrial materials include radium ( 226 Ra) originating from the decay of uranium ( 238 U), all such materials release radon ( 222 Rn) to varying degrees. When a radium atom decays to radon, the energy generated is strong enough to send the radon atom a distance of about 40 nanometers-this is known as alpha recoil. For a radon atom to escape the radium atom must be within the recoil distance from the grain surface of flyash or soil and the direction of recoil must send the radon atom toward the outside of the grain. Therefore, all of the radon atoms generated by the radium contained in flyash or soil grain are actually not released into pore spaces and mobilized. The fraction of radon atoms generated from radium decay that are released from into flyash or soil pore space is defined as the radon emanation coefficient or emanating power, of the material. Grain size and shape are two of the important factors that control the radon emanation coefficient because they determine in part how much uranium and radium is near enough to the surface of the grain to allow the newly-formed radon to escape into a pore space. In a porous medium, where the radon is in radioactive equilibrium with its parent radium, the emanation coefficient is given by the expression: where C 0 is the undiluted radon activity concentration in the pores of the medium, and C Ra is the radium activity concentration of the sample. The 226 Ra activity concentration of the flyash and soil sample were determined by using the g-spectrometry. C 0 was determined by the can experiment using LR-115 for flyash and soil samples. The C 0 values for flyash and soil samples were found to be 245.7 Bq/m 3 and 714.3 Bq/m 3 respectively. The radon emanation coefficient for flyash was found to be 0.0024 while that for soil was 0.0092. Therefore the soil sample was found to be four times higher radon emanation coefficient than flyash which is in line with the results reported in the literatures. This may suggest

Muonic atom-light nucleus interaction

International Nuclear Information System (INIS)

Kuz'michev, V.E.; Peresypkin, V.V.; Efetov, A.V.

1991-01-01

The effective potential of the interaction between light nucleus and two-particle atom at distances greater than its Bohr radius is obtained in the analytic form on the basis of a correct account of three Coulomb particle problem. Features of the interaction between p, t, 4 He, 7 Be nuclei and mesonic atoms μp, μt, μ 4 He and μ 7 Be, that arising from the differences in masses and charges of interacting particles, are studied. The corresponding potentials in the pre-threshold energy range are given. The coefficients of the symptotic formula for the effective are calculated in adiabatic approximation and with regard for the main off-shell corrections. 16 refs.; 4 figs

Numerical convergence of the self-diffusion coefficient and viscosity obtained with Thomas-Fermi-Dirac molecular dynamics

Science.gov (United States)

Danel, J.-F.; Kazandjian, L.; Zérah, G.

2012-06-01

Computations of the self-diffusion coefficient and viscosity in warm dense matter are presented with an emphasis on obtaining numerical convergence and a careful evaluation of the standard deviation. The transport coefficients are computed with the Green-Kubo relation and orbital-free molecular dynamics at the Thomas-Fermi-Dirac level. The numerical parameters are varied until the Green-Kubo integral is equal to a constant in the t→+∞ limit; the transport coefficients are deduced from this constant and not by extrapolation of the Green-Kubo integral. The latter method, which gives rise to an unknown error, is tested for the computation of viscosity; it appears that it should be used with caution. In the large domain of coupling constant considered, both the self-diffusion coefficient and viscosity turn out to be well approximated by simple analytical laws using a single effective atomic number calculated in the average-atom model.

Information entropy properties of the atoms in the system of coupled Λ-type three-level atoms interacting with coherent field in Kerr medium

International Nuclear Information System (INIS)

Li Ke; Ling Weijun

2011-01-01

The information entropy properties of the atoms of coupled Λ-type three-level atoms interacting with coherent field are studied by means of quantum theory, and discussed the time evolutions of the information entropy of the atoms via the average photon number, initial state of the atoms, detuning, coupling constant between the atoms and the coefficient of Kerr medium. Numerical calculation results show that the time evolutions of the information entropy properties of the atoms strongly dependent on the initial state of the system and the average photon number. Detuning, coupling constant between the atoms and the Kerr coefficient still make influence on the information entropy of the atoms. (authors)

Examples how to use atomic and molecular databases

International Nuclear Information System (INIS)

Murakami, Izumi

2012-01-01

As examples how to use atomic and molecular databases, atomic spectra database (ASD) and molecular chemical kinetics database of National Institute of Standards and Technology (NIST), collision cross sections of National Institute of Fusion Science (NIFS), Open-Atomic Data and Analysis Structure (ADAS) and chemical reaction rate coefficients of GRI-Mech were presented. Sorting method differed in each database and several options were prepared. Atomic wavelengths/transition probabilities and electron collision ionization, excitation and recombination cross sections/rate coefficients were simply searched with just specifying atom or ion using a general internet search engine (GENIE) of IAEA. (T. Tanaka)

Long-range interactions between excited helium and alkali-metal atoms

KAUST Repository

Zhang, J.-Y.

2012-12-03

The dispersion coefficients for the long-range interaction of the first four excited states of He, i.e., He(2 1,3S) and He(2 1,3P), with the low-lying states of the alkali-metal atoms Li, Na, K, and Rb are calculated by summing over the reduced matrix elements of the multipole transition operators. For the interaction between He and Li the uncertainty of the calculations is 0.1–0.5%. For interactions with other alkali-metal atoms the uncertainty is 1–3% in the coefficient C5, 1–5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first 2P states are presented in this Brief Report. The coefficients for other pairs of atomic states are listed in the Supplemental Material.

Atom loss resonances in a Bose-Einstein condensate.

Science.gov (United States)

Langmack, Christian; Smith, D Hudson; Braaten, Eric

2013-07-12

Atom loss resonances in ultracold trapped atoms have been observed at scattering lengths near atom-dimer resonances, at which Efimov trimers cross the atom-dimer threshold, and near two-dimer resonances, at which universal tetramers cross the dimer-dimer threshold. We propose a new mechanism for these loss resonances in a Bose-Einstein condensate of atoms. As the scattering length is ramped to the large final value at which the atom loss rate is measured, the time-dependent scattering length generates a small condensate of shallow dimers coherently from the atom condensate. The coexisting atom and dimer condensates can be described by a low-energy effective field theory with universal coefficients that are determined by matching exact results from few-body physics. The classical field equations for the atom and dimer condensates predict narrow enhancements in the atom loss rate near atom-dimer resonances and near two-dimer resonances due to inelastic dimer collisions.

Individual Tracer Atoms in an Ultracold Dilute Gas

Science.gov (United States)

Hohmann, Michael; Kindermann, Farina; Lausch, Tobias; Mayer, Daniel; Schmidt, Felix; Lutz, Eric; Widera, Artur

2017-06-01

We report on the experimental investigation of individual Cs atoms impinging on a dilute cloud of ultracold Rb atoms with variable density. We study the relaxation of the initial nonthermal state and detect the effect of single collisions which has so far eluded observation. We show that, after few collisions, the measured spatial distribution of the tracer atoms is correctly described by a Langevin equation with a velocity-dependent friction coefficient, over a large range of Knudsen numbers. Our results extend the simple and effective Langevin treatment to the realm of light particles in dilute gases. The experimental technique developed opens up the microscopic exploration of a novel regime of diffusion at the level of individual collisions.

Long-range interactions among three alkali-metal atoms

International Nuclear Information System (INIS)

Marinescu, M.; Starace, A.F.

1996-01-01

The long-range asymptotic form of the interaction potential surface for three neutral alkali-metal atoms in their ground states may be expressed as an expansion in inverse powers of inter-nuclear distances. The first leading powers are proportional to the dispersion coefficients for pairwise atomic interactions. They are followed by a term responsible for a three body dipole interaction. The authors results consist in evaluation of the three body dipole interaction coefficient between three alkali-metal atoms. The generalization to long-range n atom interaction terms will be discussed qualitatively

Atomic-scale friction : thermal effects and capillary condensation

NARCIS (Netherlands)

Jinesh, Kochupurackal Balakrishna Pillai

2006-01-01

This work entitled as "Atomic-scale friction: thermal effects and capillary condensation" is a study on the fundamental aspects of the origin of friction from the atomic-scale. We study two realistic aspects of atomic-scale friction, namely the effect of temperature and the effect of relative

Effect of Interband Interaction on Isotope Effect Coefficient of Mg B2 Superconductors

International Nuclear Information System (INIS)

Udomsamuthirun, P.; Kumvongsa, C.; Burakorn, A.; Changkanarth, P.; Maneeratanakul, S.

2005-10-01

In this research, the exact formula of Tc s equation and the isotope effect coefficient of two-band s-wave superconductors in weak-coupling limit are derived by considering the influence of interband interaction .In each band ,our model consist of two paring interactions : the electron-phonon interaction and non-electron-phonon interaction . According to the numerical calculation, we find that the isotope effect coefficient of MgB 2 , α=3 . 0 with T c 40 K can be found in the weak coupling regime and interband interaction of electron-phonon show more effect on isotope effect coefficient than interband interaction of non-phonon-electron

Internal conversion theory of gamma radiation in unfilled atomic shells

International Nuclear Information System (INIS)

Anderson, Eh.M.; Trusov, V.F.; Ehglajs, M.O.

1980-01-01

The internal conversion theory of gamma radiation in unfilled shells, when the atom is in a state with certain energy and momentum, is considered. A formula for the conversion coefficient between the atom and ion levels is obtained. This coefficient turns to be dependent on genealogic characteristics of the atom. It is discussed when the conversion coefficients are proportional to the numbers of filling subshells in the atom. Exact calculations have been carried out in the multiconfigurational approximation taking into account intermediate coupling for the d-shell of the Fe atom Single-electron radial wave functions have been calculated on the basis of the relativistic method of the Hartree-Fock-Dirak self-consistent field. Conversion coefficients on certain subshells as well as submatrix elements of the production operator are calculated. The electric coefficient of internal conversion (CIC) in the calculation for one electron does not depend on spin orientation. That is why the electric CIC from the level will not depend on filling number distribution by subshells. For magnetic CIC the dependence on the atom state is significant. Using multiconfiguration basis for calculating energy matrix and its succeeding diagonalization means the account of the intermediate coupling type, which takes place for the unfilled shells

Characterization of the effective electrostriction coefficients in ferroelectric thin films

Science.gov (United States)

Kholkin, A. L.; Akdogan, E. K.; Safari, A.; Chauvy, P.-F.; Setter, N.

2001-06-01

Electromechanical properties of a number of ferroelectric films including PbZrxTi1-xO3(PZT), 0.9PbMg1/3Nb2/3O3-0.1PbTiO3(PMN-PT), and SrBi2Ta2O9(SBT) are investigated using laser interferometry combined with conventional dielectric measurements. Effective electrostriction coefficients of the films, Qeff, are determined using a linearized electrostriction equation that couples longitudinal piezoelectric coefficient, d33, with the polarization and dielectric constant. It is shown that, in PZT films, electrostriction coefficients slightly increase with applied electric field, reflecting the weak contribution of non-180° domains to piezoelectric properties. In contrast, in PMN-PT and SBT films electrostriction coefficients are field independent, indicating the intrinsic nature of the piezoelectric response. The experimental values of Qeff are significantly smaller than those of corresponding bulk materials due to substrate clamping and possible size effects. Electrostriction coefficients of PZT layers are shown to depend strongly on the composition and preferred orientation of the grains. In particular, Qeff of (100) textured rhombohedral films (x=0.7) is significantly greater than that of (111) layers. Thus large anisotropy of the electrostrictive coefficients is responsible for recently observed large piezoelectric coefficients of (100) textured PZT films. Effective electrostriction coefficients obtained by laser interferometry allow evaluation of the electromechanical properties of ferroelectric films based solely on the dielectric parameters and thus are very useful in the design and fabrication of microsensors and microactuators.

Effect of Variable Manning Coefficients on Tsunami Inundation

Science.gov (United States)

Barberopoulou, A.; Rees, D.

2017-12-01

Numerical simulations are commonly used to help estimate tsunami hazard, improve evacuation plans, issue or cancel tsunami warnings, inform forecasting and hazard assessments and have therefore become an integral part of hazard mitigation among the tsunami community. Many numerical codes exist for simulating tsunamis, most of which have undergone extensive benchmarking and testing. Tsunami hazard or risk assessments employ these codes following a deterministic or probabilistic approach. Depending on the scope these studies may or may not consider uncertainty in the numerical simulations, the effects of tides, variable friction or estimate financial losses, none of which are necessarily trivial. Distributed manning coefficients, the roughness coefficients used in hydraulic modeling, are commonly used in simulating both riverine and pluvial flood events however, their use in tsunami hazard assessments is primarily part of limited scope studies and for the most part, not a standard practice. For this work, we investigate variations in manning coefficients and their effects on tsunami inundation extent, pattern and financial loss. To assign manning coefficients we use land use maps that come from the New Zealand Land Cover Database (LCDB) and more recent data from the Ministry of the Environment. More than 40 classes covering different types of land use are combined into major classes such as cropland, grassland and wetland representing common types of land use in New Zealand, each of which is assigned a unique manning coefficient. By utilizing different data sources for variable manning coefficients, we examine the impact of data sources and classification methodology on the accuracy of model outputs.

Density dependence of the diffusion coefficient of alkali metals

International Nuclear Information System (INIS)

Adebayo, G.A.; Anusionwu, B.C.; Njah, A.N.; Mathew, B.; Fabamise, O.A.T.

2004-06-01

The effect of density on transport coefficients of liquid Li, Na and K at high temperatures using the method of Molecular Dynamics simulation has been studied. Simulation of these liquid alkali metals were carried out with 800 particles in simulation boxes with periodic boundary conditions imposed. In order to test the reliability of the interatomic potential used in the calculations, experimental data on the structural properties were compared with calculated results. The calculations showed a linear relationship between the density and the diffusion coefficient in all the systems investigated except in lithium, where, due to the small size of the atom, standard molecular dynamics simulation method may not be appropriate for calculating the properties of interest. (author)

Measurement of atomic number and mass attenuation coefficient in ...

Indian Academy of Sciences (India)

literature on the measurement of mass attenuation coefficient in magnesium ferrite. The knowledge of photon ... pure) MgO and Fe2O3. The details of experimental ... and (4 4 0) planes belonging to cubic spinel structure. The XRD pattern ...

Effective atomic numbers in some food materials and medicines for γ -ray attenuation using ^{137}Cs γ -ray

Science.gov (United States)

Revathy, J. S.; Anooja, J.; Krishnaveni, R. B.; Gangadathan, M. P.; Varier, K. M.

2018-06-01

A light-weight multichannel analyser (MCA)-based γ -ray spectrometer, developed earlier at the Inter University Accelerator Centre, New Delhi, has been used as part of the PG curriculum, to determine the effective atomic numbers for γ attenuation of ^{137}Cs γ -ray in different types of samples. The samples used are mixtures of graphite, aluminum and selenium powders in different proportions, commercial and home-made edible powders, fruit and vegetable juices as well as certain allopathic and ayurvedic medications. A narrow beam good geometry set-up has been used in the experiments. The measured attenuation coefficients have been used to extract effective atomic numbers in the samples. The results are consistent with XCOM values wherever available. The present results suggest that the γ attenuation technique can be used as an effective non-destructive method for finding adulteration of food materials.

Friction coefficient and effective interference at the implant-bone interface.

Science.gov (United States)

Damm, Niklas B; Morlock, Michael M; Bishop, Nicholas E

2015-09-18

Although the contact pressure increases during implantation of a wedge-shaped implant, friction coefficients tend to be measured under constant contact pressure, as endorsed in standard procedures. Abrasion and plastic deformation of the bone during implantation are rarely reported, although they define the effective interference, by reducing the nominal interference between implant and bone cavity. In this study radial forces were analysed during simulated implantation and explantation of angled porous and polished implant surfaces against trabecular bone specimens, to determine the corresponding friction coefficients. Permanent deformation was also analysed to determine the effective interference after implantation. For the most porous surface tested, the friction coefficient initially increased with increasing normal contact stress during implantation and then decreased at higher contact stresses. For a less porous surface, the friction coefficient increased continually with normal contact stress during implantation but did not reach the peak magnitude measured for the rougher surface. Friction coefficients for the polished surface were independent of normal contact stress and much lower than for the porous surfaces. Friction coefficients were slightly lower for pull-out than for push-in for the porous surfaces but not for the polished surface. The effective interference was as little as 30% of the nominal interference for the porous surfaces. The determined variation in friction coefficient with radial contact force, as well as the loss of interference during implantation will enable a more accurate representation of implant press-fitting for simulations. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effective dose rate coefficients for exposure to contaminated soil

Energy Technology Data Exchange (ETDEWEB)

Veinot, K.G. [Easterly Scientific, Knoxville, TN (United States); Y-12 National Security Complex, Oak Ridge, TN (United States); Eckerman, K.F.; Easterly, C.E. [Easterly Scientific, Knoxville, TN (United States); Bellamy, M.B.; Hiller, M.M.; Dewji, S.A. [Oak Ridge National Laboratory, Center for Radiation Protection Knowledge, Oak Ridge, TN (United States); Hertel, N.E. [Oak Ridge National Laboratory, Center for Radiation Protection Knowledge, Oak Ridge, TN (United States); Georgia Institute of Technology, Atlanta, GA (United States); Manger, R. [University of California San Diego, Department of Radiation Medicine and Applied Sciences, La Jolla, CA (United States)

2017-08-15

The Oak Ridge National Laboratory Center for Radiation Protection Knowledge has undertaken calculations related to various environmental exposure scenarios. A previous paper reported the results for submersion in radioactive air and immersion in water using age-specific mathematical phantoms. This paper presents age-specific effective dose rate coefficients derived using stylized mathematical phantoms for exposure to contaminated soils. Dose rate coefficients for photon, electron, and positrons of discrete energies were calculated and folded with emissions of 1252 radionuclides addressed in ICRP Publication 107 to determine equivalent and effective dose rate coefficients. The MCNP6 radiation transport code was used for organ dose rate calculations for photons and the contribution of electrons to skin dose rate was derived using point-kernels. Bremsstrahlung and annihilation photons of positron emission were evaluated as discrete photons. The coefficients calculated in this work compare favorably to those reported in the US Federal Guidance Report 12 as well as by other authors who employed voxel phantoms for similar exposure scenarios. (orig.)

Piezoelectricity enhancement and bandstructure modification of atomic defect-mediated MoS2 monolayer.

Science.gov (United States)

Yu, Sheng; Rice, Quinton; Neupane, Tikaram; Tabibi, Bagher; Li, Qiliang; Seo, Felix Jaetae

2017-09-13

Piezoelectricity appears in the inversion asymmetric crystal that converts mechanical deformation to electricity. Two-dimensional transition metal dichalcolgenide (TMDC) monolayers exhibit the piezoelectric effect due to inversion asymmetry. The intrinsic piezoelectric coefficient (e 11 ) of MoS 2 is ∼298 pC m -1 . For the single atomic shift of Mo of 20% along the armchair direction, the piezoelectric coefficient (e 11 ) of MoS 2 with 5 × 5 unit cells was enhanced up to 18%, and significantly modified the band structure. The single atomic shift in the MoS 2 monolayer also induced new energy levels inside the forbidden bandgap. The defect-induced energy levels for a Mo atom shift along the armchair direction are relatively deeper than that for a S atom shift along the same direction. This indicates that the piezoelectricity and band structure of MoS 2 can be engineered by a single atomic shift in the monolayer with multi unit cells for piezo- and opto-electric applications.

Long-range interactions between excited helium and alkali-metal atoms

KAUST Repository

Zhang, J.-Y.; Schwingenschlö gl, Udo; Shi, T.-Y.; Tang, L.-Y.; Yan, Z.-C.

2012-01-01

–5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first

Effective stress coefficient for uniaxial strain condition

DEFF Research Database (Denmark)

Alam, M.M.; Fabricius, I.L.

2012-01-01

one dimensional rock mechanical deformation. We further investigated the effect of boundary condition on the stress dependency of effective stress coefficient and discussed its application in reservoir study. As stress field in the reservoirs are most unlikely to be hydrostatic, effective stress...... determined under uniaxial strain condition will be more relevant in reservoir studies. Copyright 2012 ARMA, American Rock Mechanics Association....

Regular approach for generating van der Waals Cs coefficients to arbitrary orders

International Nuclear Information System (INIS)

Ovsiannikov, Vitali D; Mitroy, J

2006-01-01

A completely general formalism is developed to describe the energy E disp = Σ s C s /R s of dispersion interaction between two atoms in spherically symmetric states. Explicit expressions are given up to the tenth order of perturbation theory for the dispersion energy E disp and dispersion coefficients C s . The method could, in principle, be used to derive the expressions for any s while including all contributing orders of perturbation theory for asymptotic interaction between two atoms. The theory is applied to the calculation of the complete series up to s = 30 for two hydrogen atoms in their ground state. A pseudo-state series expansion of the two-atom Green function gives rapid convergence of the series for radial matrix elements. The numerical values of C s are computed up to C 30 to a relative accuracy of 10 -7 or better. The dispersion coefficients for the hydrogen-antihydrogen interaction are obtained from the H-H coefficients by simply taking the absolute magnitude of C s

Cold experiment of slag centrifugal granulation by rotary atomizer: Effect of atomizer configuration

International Nuclear Information System (INIS)

Wu, Jun-Jun; Wang, Hong; Zhu, Xun; Liao, Qiang; Li, Kai

2017-01-01

Centrifugal granulation has recently been employed to produce small blast furnace slag particles, so as to recover the waste heat from the high-temperature molten blast furnace slag. An appropriate atomizer enables centrifugal granulation to become a better cost-effective process for particle production. Thus, increasing emphasis has been placed on influence of atomizer configuration on granulation. In present study, three groups of atomizers were specially designed and the granulation performance of each atomizer was experimentally tested during cold experiments. The influences of atomizer configuration on granulation modes and droplet characteristics were investigated visually. Two modified correlations were proposed to predict the granulating droplet size by means of data fitting. The results indicated that the rotary cup atomizers can inhibit the film formation in contrast to rotary disc atomizer. Moreover, atomizers with outer angle of 90° was capable of producing smaller droplets. The revised correlation as well as the newly-developed correlation including the influence of atomizer configurations, presented in good agreement with the experiment data. In addition, an analysis on atomizer design was conducted to provide a good insight for industrialization. It was recommended to adopt cup-like atomizer in granulation for its ability to produce fine particles with smaller atomizer size.

Gate Control Coefficient Effect on CNFET Characteristic

International Nuclear Information System (INIS)

Sanudin, Rahmat; Ma'Radzi, Ahmad Alabqari; Nayan, Nafarizal

2009-01-01

The development of carbon nanotube field-effect transistor (CNFET) as alternative to existing transistor technology has long been published and discussed. The emergence of this device offers new material and structure in building a transistor. This paper intends to do an analysis of gate control coefficient effect on CNFET performance. The analysis is based on simulation study of current-voltage (I-V) characteristic of ballistic CNFET. The simulation study used the MOSFET-like CNFET mathematical model to establish the device output characteristic. Based on the analysis of simulation result, it is found that the gate control coefficient contributes to a significant effect on the performance of CNFET. The result also shown the parameter could help to improve the device performance in terms of its output and response as well. Nevertheless, the characteristic of the carbon nanotube that acts as the channel is totally important in determining the performance of the transistor as a whole.

Case studies in atomic collision physics

CERN Document Server

McDaniel, Earl Wadsworth

1972-01-01

Case Studies in Atomic Collision Physics II focuses on studies on the role of atomic collision processes in astrophysical plasmas, including ionic recombination, electron transport, and position scattering. The book first discusses three-body recombination of positive and negative ions, as well as introduction to ionic recombination, calculation of the recombination coefficient, ions recombining in their parent gas, and three-body recombination at moderate and high gas-densities. The manuscript also takes a look at precision measurements of electron transport coefficients and differential cr

The UKB prescription and the heavy atom effects on the nuclear magnetic shielding of vicinal heavy atoms.

Science.gov (United States)

Maldonado, Alejandro F; Aucar, Gustavo A

2009-07-21

Fully relativistic calculations of NMR magnetic shielding on XYH3 (X = C, Si, Ge and Sn; Y = Br, I), XHn (n = 1-4) molecular systems and noble gases performed with a fully relativistic polarization propagator formalism at the RPA level of approach are presented. The rate of convergence (size of basis set and time involved) for calculations with both kinetic balance prescriptions, RKB and UKB, were investigated. Calculations with UKB makes it feasible to obtain reliable results for two or more heavy-atom-containing molecules. For such XYH3 systems, the influence of heavy vicinal halogen atoms on sigma(X) is such that heavy atom effects on heavy atoms (vicinal plus their own effects or HAVHA + HAHA effects) amount to 30.50% for X = Sn and Y = I; being the HAHA effect of the order of 25%. So the vicinal effect alone is of the order of 5.5%. The vicinal heavy atom effect on light atoms (HALA effect) is of the order of 28% for X = C and Y = I. A similar behaviour, but of opposite sign, is observed for sigma(Y) for which sigmaR-NR (I; X = C) (HAHA effect) is around 27% and sigmaR-NR(I; X = Sn) (HAVHA + HAHA effects) is close to 21%. Its electronic origin is paramagnetic for halogen atoms but both dia- and paramagnetic for central atoms. The effect on two bond distant hydrogen atoms is such that the largest variation of sigma(H) within the same family of XYH3 molecules appears for X = Si and Y = I: around 20%. In this case sigma(H; X = Sn, Y = I) = 33.45 ppm and sigma(H; X = Sn, Y = H) = 27.82 ppm.

Effective diffusion coefficient of radon in concrete, theory and method for field measurements

International Nuclear Information System (INIS)

Culot, M.V.J.; Olson, H.G.; Schiager, K.J.

1976-01-01

A linear diffusion model serves as the basis for determination of an effective radon diffusion coefficient in concrete. The coefficient was needed to later allow quantitative prediction of radon accumulation within and behind concrete walls after application of an impervious radon barrier. A resolution of certain discrepancies noted in the literature in the use of an effective diffusion coefficient to model diffusion of a radioactive gas through a porous medium is suggested. An outline of factors expected to affect the concrete physical structure and the effective diffusion coefficient of radon through it is also presented. Finally, a field method for evaluating effective radon diffusion coefficients in concrete is proposed and results of measurements performed on a concrete foundation wall are compared with similar published values of gas diffusion coefficients in concrete. (author)

Interfacial Thermal Transport via One-Dimensional Atomic Junction Model

Directory of Open Access Journals (Sweden)

Guohuan Xiong

2018-03-01

Full Text Available In modern information technology, as integration density increases rapidly and the dimension of materials reduces to nanoscale, interfacial thermal transport (ITT has attracted widespread attention of scientists. This review introduces the latest theoretical development in ITT through one-dimensional (1D atomic junction model to address the thermal transport across an interface. With full consideration of the atomic structures in interfaces, people can apply the 1D atomic junction model to investigate many properties of ITT, such as interfacial (Kapitza resistance, nonlinear interface, interfacial rectification, and phonon interference, and so on. For the ballistic ITT, both the scattering boundary method (SBM and the non-equilibrium Green’s function (NEGF method can be applied, which are exact since atomic details of actual interfaces are considered. For interfacial coupling case, explicit analytical expression of transmission coefficient can be obtained and it is found that the thermal conductance maximizes at certain interfacial coupling (harmonic mean of the spring constants of the two leads and the transmission coefficient is not a monotonic decreasing function of phonon frequency. With nonlinear interaction—phonon–phonon interaction or electron–phonon interaction at interface, the NEGF method provides an efficient way to study the ITT. It is found that at weak linear interfacial coupling, the nonlinearity can improve the ITT, but it depresses the ITT in the case of strong-linear coupling. In addition, the nonlinear interfacial coupling can induce thermal rectification effect. For interfacial materials case which can be simulated by a two-junction atomic chain, phonons show interference effect, and an optimized thermal coupler can be obtained by tuning its spring constant and atomic mass.

Effective hydrogen diffusion coefficient for solidifying aluminium alloys

International Nuclear Information System (INIS)

Felberbaum, M.; Landry-Desy, E.; Weber, L.; Rappaz, M.

2011-01-01

An effective hydrogen diffusion coefficient has been calculated for two solidifying Al - 4.5 wt.% Cu and Al - 10 wt.% Cu alloys as a function of the volume fraction of solid. For this purpose, in situ X-ray tomography was performed on these alloys. For each volume fraction of solid between 0.6 and 0.9, a representative volume element of the microstructure was extracted. Solid and liquid voxels were assimilated to solid and liquid nodes in order to solve the hydrogen diffusion equation based on the chemical potential and using a finite volume formulation. An effective hydrogen diffusion coefficient based on the volume fraction of solid only could be deduced from the results of the numerical model at steady state. The results are compared with various effective medium theories.

Effects of non-LTE multiplet dynamics on lumped-state modelling in moderate to high atomic number plasmas

International Nuclear Information System (INIS)

Whitney, K G; Dasgupta, A; Davis, J; Coverdale, C A

2007-01-01

Two atomic models of the population dynamics of substates within the n 4 and n = 3 multiplets of nickel-like tungsten and beryllium-like iron, respectively, are described in this paper. The flexible atomic code (FAC) is used to calculate the collisional and radiative couplings and energy levels of the excited states within these ionization stages. These atomic models are then placed within larger principal-quantum-number-based ionization dynamic models of both tungsten and iron plasmas. Collisional-radiative equilibrium calculations are then carried out using these models that demonstrate how the multiplet substates depart from local thermodynamic equilibrium (LTE) as a function of ion density. The effect of these deviations from LTE on the radiative and collisional deexcitation rates of lumped 3s, 3p, 3d, 4s, 4p, 4d and 4f states is then calculated and least-squares fits to the density dependence of these lumped-state rate coefficients are obtained. The calculations show that, with the use of lumped-state models (which are in common use), one can accurately model the L- and M-shell ionization dynamics occurring in present-day Z-pinch experiments only through the addition of these extra, non-LTE-induced, rate coefficient density dependences. However, the derivation and use of low-order polynomial fits to these density dependences makes lumped-state modelling both viable and of value for post-processing analyses

Evaluation of distribution patterns and decision of distribution coefficients of trace elements in high-purity aluminium by INAA

International Nuclear Information System (INIS)

Hayakawa, Yasuhiro; Suzuki, Shogo; Hirai, Shoji

1986-01-01

Recently, a high-purity aluminium has been used in semi-coductor device, so on. It was required that trace impurities should be reduced and that its content should be quantitatively evaluated. In this study, distribution patterns of many trace impurities in 99.999 % aluminium ingots, which was purified using a normal freezing method, were evaluated by an INAA. The effective distribution coefficient k for each detected elements was calculated using a theoretical distribution equation in the normal freezing method. As a result, the elements of k 1 was Hf. Especially, La, Sm, U and Th could be effectively purified, but Sc and Hf could be scarcely purified. Further more, it was found that the slower freezing gave the effective distribution coefficient close to the equilibrium distribution coefficient, and that the effective distribution coefficient became smaller with the larger atomic radius. (author)

Random effects coefficient of determination for mixed and meta-analysis models.

Science.gov (United States)

Demidenko, Eugene; Sargent, James; Onega, Tracy

2012-01-01

The key feature of a mixed model is the presence of random effects. We have developed a coefficient, called the random effects coefficient of determination, [Formula: see text], that estimates the proportion of the conditional variance of the dependent variable explained by random effects. This coefficient takes values from 0 to 1 and indicates how strong the random effects are. The difference from the earlier suggested fixed effects coefficient of determination is emphasized. If [Formula: see text] is close to 0, there is weak support for random effects in the model because the reduction of the variance of the dependent variable due to random effects is small; consequently, random effects may be ignored and the model simplifies to standard linear regression. The value of [Formula: see text] apart from 0 indicates the evidence of the variance reduction in support of the mixed model. If random effects coefficient of determination is close to 1 the variance of random effects is very large and random effects turn into free fixed effects-the model can be estimated using the dummy variable approach. We derive explicit formulas for [Formula: see text] in three special cases: the random intercept model, the growth curve model, and meta-analysis model. Theoretical results are illustrated with three mixed model examples: (1) travel time to the nearest cancer center for women with breast cancer in the U.S., (2) cumulative time watching alcohol related scenes in movies among young U.S. teens, as a risk factor for early drinking onset, and (3) the classic example of the meta-analysis model for combination of 13 studies on tuberculosis vaccine.

Machine Learning Estimation of Atom Condensed Fukui Functions.

Science.gov (United States)

Zhang, Qingyou; Zheng, Fangfang; Zhao, Tanfeng; Qu, Xiaohui; Aires-de-Sousa, João

2016-02-01

To enable the fast estimation of atom condensed Fukui functions, machine learning algorithms were trained with databases of DFT pre-calculated values for ca. 23,000 atoms in organic molecules. The problem was approached as the ranking of atom types with the Bradley-Terry (BT) model, and as the regression of the Fukui function. Random Forests (RF) were trained to predict the condensed Fukui function, to rank atoms in a molecule, and to classify atoms as high/low Fukui function. Atomic descriptors were based on counts of atom types in spheres around the kernel atom. The BT coefficients assigned to atom types enabled the identification (93-94 % accuracy) of the atom with the highest Fukui function in pairs of atoms in the same molecule with differences ≥0.1. In whole molecules, the atom with the top Fukui function could be recognized in ca. 50 % of the cases and, on the average, about 3 of the top 4 atoms could be recognized in a shortlist of 4. Regression RF yielded predictions for test sets with R(2) =0.68-0.69, improving the ability of BT coefficients to rank atoms in a molecule. Atom classification (as high/low Fukui function) was obtained with RF with sensitivity of 55-61 % and specificity of 94-95 %. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Accounting for Missing Correlation Coefficients in Fixed-Effects MASEM.

Science.gov (United States)

Jak, Suzanne; Cheung, Mike W-L

2018-01-01

Meta-analytic structural equation modeling (MASEM) is increasingly applied to advance theories by synthesizing existing findings. MASEM essentially consists of two stages. In Stage 1, a pooled correlation matrix is estimated based on the reported correlation coefficients in the individual studies. In Stage 2, a structural model (such as a path model) is fitted to explain the pooled correlations. Frequently, the individual studies do not provide all the correlation coefficients between the research variables. In this study, we modify the currently optimal MASEM-method to deal with missing correlation coefficients, and compare its performance with existing methods. This study is the first to evaluate the performance of fixed-effects MASEM methods under different levels of missing correlation coefficients. We found that the often used univariate methods performed very poorly, while the multivariate methods performed well overall.

Determination of trapping parameters and the chemical diffusion coefficient from hydrogen permeation experiments

International Nuclear Information System (INIS)

Svoboda, J.; Mori, G.; Prethaler, A.; Fischer, F.D.

2014-01-01

Highlights: • A modeling study for diffusion of hydrogen with traps is presented. • Introduction of a new chemical diffusion coefficient. • Density of traps and average depth of traps can be determined. • Lattice diffusion and sub-surface concentration of atomic hydrogen can be determined. - Abstract: An improved diffusion theory accounting for trapping effects is applied to evaluation of hydrogen permeation experiments performed for pure iron and pearlitic and martensitic steels. The trapping parameters as molar volume and depth of traps are determined by fitting experiments by simulations based on the theory. The concentration-dependent chemical diffusion coefficient of hydrogen is extracted indicating that the trapping effect on diffusion in pure iron and pearlitic steel is negligible. However, it is significant for martensitic steel, for which the chemical diffusion coefficient cannot be considered as concentration-independent as it is established in current standards

Effective oscillator strength distributions of spherically symmetric atoms for calculating polarizabilities and long-range atom–atom interactions

Energy Technology Data Exchange (ETDEWEB)

Jiang, Jun, E-mail: phyjiang@yeah.net [Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Cheng, Yongjun, E-mail: cyj83mail@gmail.com [School of Engineering, Charles Darwin University, Darwin, Northern Territory, 0909 (Australia); Academy of Fundamental and Interdisciplinary Science, Harbin Institute of Technology, Harbin 150080 (China); Bromley, M.W.J., E-mail: brom@physics.uq.edu.au [School of Mathematics and Physics, The University of Queensland, Brisbane, Queensland 4075 (Australia)

2015-01-15

Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C{sub 6}, C{sub 8} and C{sub 10} atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations.

Effective oscillator strength distributions of spherically symmetric atoms for calculating polarizabilities and long-range atom–atom interactions

International Nuclear Information System (INIS)

Jiang, Jun; Mitroy, J.; Cheng, Yongjun; Bromley, M.W.J.

2015-01-01

Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are used to compute the dipole, quadrupole and octupole static polarizabilities, and are then applied to the calculation of the dynamic polarizabilities at imaginary frequencies. These polarizabilities can be used to determine the long-range C 6 , C 8 and C 10 atom–atom interactions for the dimers formed from any of these atoms and ions, and we present tables covering all of these combinations

Studies on effective atomic numbers and electron densities in amino acids and sugars in the energy range 30-1333 keV

International Nuclear Information System (INIS)

Gowda, Shivalinge; Krishnaveni, S.; Gowda, Ramakrishna

2005-01-01

The effective atomic numbers and electron densities of the amino acids glycine, alanine, serine, valine, threonine, leucine, isoleucine, aspartic acid, lysine, glutamic acid, histidine, phenylalanine, arginine, tyrosine, tryptophane and the sugars arabinose, ribose, glucose, galactose, mannose, fructose, rhamnose, maltose, melibiose, melezitose and raffinose at the energies 30.8, 35.0, 81.0, 145, 276.4, 302.9, 356, 383.9, 661.6, 1173 and 1332.5 keV were calculated by using the measured total attenuation cross-sections. The interpolations of total attenuation cross-sections for photons of energy E in elements of atomic number Z was performed using the logarithmic regression analysis of the XCOM data in the photon energy region 30-1500 keV. The best-fit coefficients obtained by a piece wise interpolation method were used to find the effective atomic number and electron density of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data

Studies on effective atomic numbers and electron densities in amino acids and sugars in the energy range 30-1333 keV

Energy Technology Data Exchange (ETDEWEB)

Gowda, Shivalinge [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006 (India); Krishnaveni, S. [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006 (India); Gowda, Ramakrishna [Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006 (India)]. E-mail: ramakrishnagowda@yahoo.com

2005-10-15

The effective atomic numbers and electron densities of the amino acids glycine, alanine, serine, valine, threonine, leucine, isoleucine, aspartic acid, lysine, glutamic acid, histidine, phenylalanine, arginine, tyrosine, tryptophane and the sugars arabinose, ribose, glucose, galactose, mannose, fructose, rhamnose, maltose, melibiose, melezitose and raffinose at the energies 30.8, 35.0, 81.0, 145, 276.4, 302.9, 356, 383.9, 661.6, 1173 and 1332.5 keV were calculated by using the measured total attenuation cross-sections. The interpolations of total attenuation cross-sections for photons of energy E in elements of atomic number Z was performed using the logarithmic regression analysis of the XCOM data in the photon energy region 30-1500 keV. The best-fit coefficients obtained by a piece wise interpolation method were used to find the effective atomic number and electron density of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data.

Atomic oxygen-MoS sub 2 chemical interactions

Energy Technology Data Exchange (ETDEWEB)

Cross, J.B.; Martin, J.A. (Los Alamos National Lab., NM (USA)); Pope, L.E. (Sandia National Labs., Albuquerque, NM (USA)); Koontz, S.L. (National Aeronautics and Space Administration, Johnson Space Center, Houston, TX (USA))

1990-10-01

The present study shows that an O-atom translation energy of 1.5 eV, SO{sub 2} is generated and outgases from an anhydrous MoS{sub 2} surface with an initial reactivity nearly 50% that of kapton. The reaction of atomic oxygen with MoS{sub 2} has little or no translational energy barrier, i.e. thermally generated atomic oxygen reacts as readily as that having 1.5 eV of translational energy. For MoS{sub 2} films sputter-deposited at 50-70deg C, friction measurements showed a high initial friction coefficient (up to 0.25) for MoS{sub 2} surfaces exposed to atomic oxygen, which dropped to the normal low values after several cycles of operation in air and ultrahigh vacuum. For MoS{sub 2} films deposited at 200deg C, the friction coefficient was not affected by the O-atom exposure. (orig.).

Removal of foreign atoms from a metal surface bombarded with fast atomic particles

Energy Technology Data Exchange (ETDEWEB)

Dolotov, S.K.; Evstigneev, S.A.; Luk' yanov, S.Yu.; Martynenko, Yu.V.; Chicherov, V.M.

1976-07-01

A metal surface coated with foreign atoms was irradiated with periodically repeating ion current pulses. The energy of the ions bombarding the target was 20 to 30 keV, and inert gas ions were used. A study of the time dependences of the current of the dislodged foreign atoms showed that the rate of their removal from the target surface is determined by the sputtering coefficient of the substrate metal.

Removal of foreign atoms from a metal surface bombarded with fast atomic particles

International Nuclear Information System (INIS)

Dolotov, S.K.; Evstigneev, S.A.; Luk'yanov, S.Yu.; Martynenko, Yu.V.; Chicherov, V.M.

A metal surface coated with foreign atoms was irradiated with periodically repeating ion current pulses. The energy of the ions bombarding the target was 20 to 30 keV, and inert gas ions were used. A study of the time dependences of the current of the dislodged foreign atoms showed that the rate of their removal from the target surface is determined by the sputtering coefficient of the substrate metal

Dielectronic recombination rate coefficients to the excited states of CII from CIII

International Nuclear Information System (INIS)

Kato, Takako; Safronova, U.; Ohira, Mituhiko.

1996-02-01

Energy levels, radiative transition probabilities and autoionization rates for CII including 1s 2 2l2l'nl'' (n=2-6, l'≤(n-1)) states were calculated by using multi-configurational Hartree-Fock (Cowan code) method. Autoionizing levels above three thresholds: 1s 2 2s 2 ( 1 S), 1s 2 2s2p( 3 P), 1s 2 2s2p( 1 P) were considered. Branching ratios related to the first threshold and the intensity factor were calculated for satellite lines of CII ion. The dielectronic recombination rate coefficients to the excited states for n=2-6 are calculated with these atomic data. The rate coefficients are fitted to an analytical formula and the fit parameters are given. The values for higher excited states than n=6 are extrapolated and the total dielectronic recombination rate coefficients are derived. The effective recombination rate coefficient for different electron densities are also derived. (author)

Influence of effective stress coefficient on mechanical failure of chalk

DEFF Research Database (Denmark)

Alam, Mohammad Monzurul; Fabricius, Ida Lykke; Hjuler, M.L.

2012-01-01

The Effective stress coefficient is a measure of how chalk grains are connected with each other. The stiffness of chalk may decrease if the amount of contact cements between the grains decreases, which may lead to an increase of the effective stress coefficient. We performed CO2 injection in chal...... precise failure strength of chalk during changed stress state and under the influence of chemically reactive fluids during production of hydrocarbon and geological storage CO2....

Regular approach for generating van der Waals C{sub s} coefficients to arbitrary orders

Energy Technology Data Exchange (ETDEWEB)

Ovsiannikov, Vitali D [Department of Physics, Voronezh State University, 394006 Voronezh (Russian Federation); Mitroy, J [Faculty of Technology, Charles Darwin University, Darwin, NT 0909 (Australia)

2006-01-14

A completely general formalism is developed to describe the energy E{sup disp} = {sigma}{sub s}C{sub s}/R{sup s} of dispersion interaction between two atoms in spherically symmetric states. Explicit expressions are given up to the tenth order of perturbation theory for the dispersion energy E{sup disp} and dispersion coefficients C{sub s}. The method could, in principle, be used to derive the expressions for any s while including all contributing orders of perturbation theory for asymptotic interaction between two atoms. The theory is applied to the calculation of the complete series up to s = 30 for two hydrogen atoms in their ground state. A pseudo-state series expansion of the two-atom Green function gives rapid convergence of the series for radial matrix elements. The numerical values of C{sub s} are computed up to C{sub 30} to a relative accuracy of 10{sup -7} or better. The dispersion coefficients for the hydrogen-antihydrogen interaction are obtained from the H-H coefficients by simply taking the absolute magnitude of C{sub s}.

Molecular dynamics simulation of self-diffusion coefficients for liquid metals

International Nuclear Information System (INIS)

Ju Yuan-Yuan; Zhang Qing-Ming; Gong Zi-Zheng; Ji Guang-Fu

2013-01-01

The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics methods based on the embedded-atom-method (EAM) potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion coefficients and temperature, though the results in the literature vary somewhat, due to the employment of different potential functions. The estimated activation energy of liquid metals obtained by fitting the Arrhenius formula is close to the experimental data. The temperature-dependent shear-viscosities obtained from the Stokes—Einstein relation in conjunction with the results of molecular dynamics simulation are generally consistent with other values in the literature. (atomic and molecular physics)

Chemical atomization of graphite by H+ ions

International Nuclear Information System (INIS)

Busharov, I.P.; Gorbatov, E.A.; Gusev, V.M.; Guseva, M.I.; Martynenko, Yu.V.

A simple model of the mechanism of chemical atomization is given, on whose basis a decrease in chemical atomization is qualitatively predicted for high temperatures. Mass spectrometric investigations of the atomization products cited, which found CH 4 and CH 3 molecules during the irradiation of graphite and H + ions thereby confirmed the presence of chemical atomization. A relationship of S and temperature of graphite T during irradiation was obtained which showed a decrease in the coefficient of atomization of a high temperature. (U.S.)

Spectral line profile analysis for evaluation of Gaussian and Lorentzian widths and collisional broadening coefficient

International Nuclear Information System (INIS)

Nakhate, S.G.; Ahmad, S.A.; Pushpa; Rao, M.; Saksena, G.D.

1991-01-01

Deconvolution of atomic line profiles, recorded on PC interfaced recording Fabry-Perot spectrometer, into its Lorentzian and Gaussian component has been carried out. Effect of various parameters of hollow cathode discharge lamp (light source) such as discharge current, bath temperature and gas pressure on Lorentzian and Gaussian width has been studied. The value of the self-broadening coefficient for neon-neon atomic interaction for the transition 2p 5 4P-2P 5 3s (λ=3472.571 A) has been determined. (author). 15 refs., 6 figs., 4 tabs

Size Effects on Surface Elastic Waves in a Semi-Infinite Medium with Atomic Defect Generation

Directory of Open Access Journals (Sweden)

F. Mirzade

2013-01-01

Full Text Available The paper investigates small-scale effects on the Rayleigh-type surface wave propagation in an isotopic elastic half-space upon laser irradiation. Based on Eringen’s theory of nonlocal continuum mechanics, the basic equations of wave motion and laser-induced atomic defect dynamics are derived. Dispersion equation that governs the Rayleigh surface waves in the considered medium is derived and analyzed. Explicit expressions for phase velocity and attenuation (amplification coefficients which characterize surface waves are obtained. It is shown that if the generation rate is above the critical value, due to concentration-elastic instability, nanometer sized ordered concentration-strain structures on the surface or volume of solids arise. The spatial scale of these structures is proportional to the characteristic length of defect-atom interaction and increases with the increase of the temperature of the medium. The critical value of the pump parameter is directly proportional to recombination rate and inversely proportional to deformational potentials of defects.

The apparent and effective chloride migration coefficients obtained in migration tests

NARCIS (Netherlands)

Spiesz, P.R.; Brouwers, H.J.H.

2013-01-01

The apparent (Dapp) and effective (Deff) migration coefficients obtained in chloride migration tests are investigated in this study. The presented Dapp profiles in concrete show that the apparent migration coefficient is strongly concentration-dependent. As demonstrated, the binding of chlorides is

Scale dependence of the effective matrix diffusion coefficient: Evidence and preliminary interpretation

International Nuclear Information System (INIS)

Liu, Hui-Hai; Zhang, Yingqi; Molz, Fred J.

2006-01-01

The exchange of solute mass (through molecular diffusion) between fluid in fractures and fluid in the rock matrix is called matrix diffusion. Owing to the orders-of-magnitude slower flow velocity in the matrix compared to fractures, matrix diffusion can significantly retard solute transport in fractured rock, and therefore is an important process for a variety of problems, including remediation of subsurface contamination and geological disposal of nuclear waste. The effective matrix diffusion coefficient (molecular diffusion coefficient in free water multiplied by matrix tortuosity) is an important parameter for describing matrix diffusion, and in many cases largely determines overall solute transport behavior. While matrix diffusion coefficient values measured from small rock samples in the laboratory are generally used for modeling field-scale solute transport in fractured rock (Boving and Grathwohl, 2001), several research groups recently have independently found that effective matrix diffusion coefficients much larger than laboratory measurements are needed to match field-scale tracer-test data (Neretnieks, 2002; Becker and Shapiro, 2000; Shapiro, 2001; Liu et al., 2003, 2004a). In addition to the observed enhancement, Liu et al. (2004b), based on a relatively small number of field-test results, reported that the effective matrix diffusion coefficient might be scale dependent, and, like permeability and dispersivity, it seems to increases with test scale. This scale-dependence has important implications for large-scale solute transport in fractured rock. Although a number of mechanisms have been proposed to explain the enhancement of the effective matrix diffusion coefficient, the potential scale dependence and its mechanisms are not fully investigated at this stage. The major objective of this study is to again demonstrate (based on more data published in the literature than those used in Liu et al. [2004b]) the potential scale dependence of the effective

Scale Dependence of the Effective Matrix Diffusion Coefficient : Evidence and Preliminary Interpretation

International Nuclear Information System (INIS)

H.H. Liu; Y. Zhang

2006-01-01

The exchange of solute mass (through molecular diffusion) between fluid in fractures and fluid in the rock matrix is called matrix diffusion. Owing to the orders-of-magnitude slower flow velocity in the matrix compared to fractures, matrix diffusion can significantly retard solute transport in fractured rock, and therefore is an important process for a variety of problems, including remediation of subsurface contamination and geological disposal of nuclear waste. The effective matrix diffusion coefficient (molecular diffusion coefficient in free water multiplied by matrix tortuosity) is an important parameter for describing matrix diffusion, and in many cases largely determines overall solute transport behavior. While matrix diffusion coefficient values measured from small rock samples in the laboratory are generally used for modeling field-scale solute transport in fractured rock (Boving and Grathwohl, 2001), several research groups recently have independently found that effective matrix diffusion coefficients much larger than laboratory measurements are needed to match field-scale tracer-test data (Neretnieks, 2002; Becker and Shapiro, 2000; Shapiro, 2001; Liu et al., 2003,2004a). In addition to the observed enhancement, Liu et al. (2004b), based on a relatively small number of field-test results, reported that the effective matrix diffusion coefficient might be scale dependent, and, like permeability and dispersivity, it seems to increases with test scale. This scale-dependence has important implications for large-scale solute transport in fractured rock. Although a number of mechanisms have been proposed to explain the enhancement of the effective matrix diffusion coefficient, the potential scale dependence and its mechanisms are not fully investigated at this stage. The major objective of this study is to again demonstrate (based on more data published in the literature than those used in Liu et al. [2004b]) the potential scale dependence of the effective

Electron density and effective atomic number (Zeff) determination through x-ray Moiré deflectometry

Science.gov (United States)

Valdivia Leiva, Maria Pia; Stutman, Dan; Finkenthal, Michael

2014-10-01

Talbot-Lau based Moiré deflectometry is a powerful density diagnostic capable of delivering refraction information and attenuation from a single image, through the accurate detection of X-ray phase-shift and intensity. The technique is able to accurately measure both the real part of the index of refraction δ (directly related to electron density) and the attenuation coefficient μ of an object placed in the x-ray beam. Since the atomic number Z (or Zeff for a composite sample) is proportional to these quantities, an elemental map of the effective atomic number can be obtained with the ratio of the phase and the absorption image. The determination of Zeff from refraction and attenuation measurements with Moiré deflectometry could be of high interest in various fields of HED research such as shocked materials and ICF experiments as Zeff is linked, by definition, to the x-ray absorption properties of a specific material. This work is supported by U.S. DoE/NNSA Grant No. 435 DENA0001835.

Squeezing effects of an atom laser: Beyond the linear model

International Nuclear Information System (INIS)

Jing Hui; Ge Molin; Chen Jingling

2002-01-01

We investigate the quantum dynamics and statistics of an atom laser by taking into account binary atom-atom collisions. The rotating wave approximation Hamiltonian of the system is solved analytically . We show that the nonlinear atom-atom interactions could yield periodic quadrature squeezing effects in the atom laser output beam, although the input radio frequency field is in a Glauber coherent state

Some effects of random dose measurement errors on analysis of atomic bomb survivor data

International Nuclear Information System (INIS)

Gilbert, E.S.

1985-01-01

The effects of random dose measurement errors on analyses of atomic bomb survivor data are described and quantified for several procedures. It is found that the ways in which measurement error is most likely to mislead are through downward bias in the estimated regression coefficients and through distortion of the shape of the dose-response curve. The magnitude of the bias with simple linear regression is evaluated for several dose treatments including the use of grouped and ungrouped data, analyses with and without truncation at 600 rad, and analyses which exclude doses exceeding 200 rad. Limited calculations have also been made for maximum likelihood estimation based on Poisson regression. 16 refs., 6 tabs

Emission Spectrum Property of Modulated Atom-Field Coupling System

International Nuclear Information System (INIS)

Gao Yun-Feng; Feng Jian; Li Yue-Ke

2013-01-01

The emission spectrum of a two-level atom interacting with a single mode radiation field in the case of periodic oscillation coupling coefficient is investigated. A general expression for the emission spectrum is derived. The numerical results for the initial field in pure number stare are calculated. It is found that the effect of the coupling coefficient modulation on the spectral structure is very obvious in the case of a low modulation frequency and larger amplitude when the initial field is vacuum, which is potentially useful for exploring a modulated light source. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Ionization effects in electronic inner-shells of ionized atoms

International Nuclear Information System (INIS)

Shchornak, G.

1983-01-01

A review of the atomic physics of ionization atoms has been presented. Interaction and structure effects in atomic shells, correlated to the occurrence of vacancies in several subshells of the atom have been considered. The methods of calculations of atomic states and wave functions have been reviewed. The energy shift of characteristic X-rays is discussed as a function of the ionization stage of the atom. The influence of inner and outer-shell vacancies on the energy of the X-rays is shown in detail. The influence of chemical effects on the parameters of X-rays is also taken into account. Further on, the change of transition probabilities in radiative and non-radiative transitions by changing stage of ionization is discussed; and among them the leading part of Auger and Coster-Kronig transitions by the arearrangement of the atomic states is shown. The influence of non-radiative electronic transitions on ionization cross-sections for multiple ionization is discussed. Using these results, ionization cross-sections for direct and indirect processes for several ionization stages are given

Quenching of Einstein A-Coefficients in plasmas and lasers

International Nuclear Information System (INIS)

Suckewer, S.; Princeton Univ., NJ

1991-03-01

The coefficient of spontaneous emission (Einstein A-coefficient) is considered to be one of the basic constants of a given transition in atom or ion. The formula for the Einstein A-coefficient was derived in the pioneering works of Weisskopf and Wigner (WW) based on Dirac's theory of light. More recently, however, it was noted in several papers that the rate of spontaneous radiative decay can deviate significantly from the WW expression in certain conditions, for example in a laser cavity. A different type of change in A- coefficients was inferred from measurements of changes in the intensity branching ratio of spectral lines in a plasma. A change of branching ratio of up to a factor of 10 was observed in CIV for 3p-3s (580.1--581.2nm) and 3p-2s (31.2-nm) transitions when the electron density changed from approximately N e ∼ 1 x 10 18 to 5 x 10 18 cm -3 . This effect was also observed in CIII and NV. An initial theoretical approach to the problem based on the integration of the Schroedinger equation with the ion Coulomb potential modified by the electron cloud within the Debye radius was unsuccessfully in predicting the experimental observations. The effect of quenching of spontaneous emission coefficients was observed also in an Ar-ion laser as a function of the intracavity power density (photon density) for lines originating from the same upper level as the lasing line. Measurements of these line profiles absorption for different lasing conditions and related discussions are also presented. 14 refs., 6 figs

Surplus thermal energy model of greenhouses and coefficient analysis for effective utilization

Directory of Open Access Journals (Sweden)

Seung-Hwan Yang

2016-03-01

Full Text Available If a greenhouse in the temperate and subtropical regions is maintained in a closed condition, the indoor temperature commonly exceeds that required for optimal plant growth, even in the cold season. This study considered this excess energy as surplus thermal energy (STE, which can be recovered, stored and used when heating is necessary. To use the STE economically and effectively, the amount of STE must be estimated before designing a utilization system. Therefore, this study proposed an STE model using energy balance equations for the three steps of the STE generation process. The coefficients in the model were determined by the results of previous research and experiments using the test greenhouse. The proposed STE model produced monthly errors of 17.9%, 10.4% and 7.4% for December, January and February, respectively. Furthermore, the effects of the coefficients on the model accuracy were revealed by the estimation error assessment and linear regression analysis through fixing dynamic coefficients. A sensitivity analysis of the model coefficients indicated that the coefficients have to be determined carefully. This study also provides effective ways to increase the amount of STE.

Surplus thermal energy model of greenhouses and coefficient analysis for effective utilization

Energy Technology Data Exchange (ETDEWEB)

Yang, S.H.; Son, J.E.; Lee, S.D.; Cho, S.I.; Ashtiani-Araghi, A.; Rhee, J.Y.

2016-11-01

If a greenhouse in the temperate and subtropical regions is maintained in a closed condition, the indoor temperature commonly exceeds that required for optimal plant growth, even in the cold season. This study considered this excess energy as surplus thermal energy (STE), which can be recovered, stored and used when heating is necessary. To use the STE economically and effectively, the amount of STE must be estimated before designing a utilization system. Therefore, this study proposed an STE model using energy balance equations for the three steps of the STE generation process. The coefficients in the model were determined by the results of previous research and experiments using the test greenhouse. The proposed STE model produced monthly errors of 17.9%, 10.4% and 7.4% for December, January and February, respectively. Furthermore, the effects of the coefficients on the model accuracy were revealed by the estimation error assessment and linear regression analysis through fixing dynamic coefficients. A sensitivity analysis of the model coefficients indicated that the coefficients have to be determined carefully. This study also provides effective ways to increase the amount of STE. (Author)

The effect of chalk on the finger-hold friction coefficient in rock climbing.

Science.gov (United States)

Amca, Arif Mithat; Vigouroux, Laurent; Aritan, Serdar; Berton, Eric

2012-11-01

The main purpose of this study was to examine the effect of chalk on the friction coefficient between climber's fingers and two different rock types (sandstone and limestone). The secondary purpose was to investigate the effects of humidity and temperature on the friction coefficient and on the influence of chalk. Eleven experienced climbers took part in this study and 42 test sessions were performed. Participants hung from holds which were fixed on a specially designed hang board. The inclination of the hang board was progressively increased until the climber's hand slipped from the holds. The angle of the hang board was simultaneously recorded by using a gyroscopic sensor and the friction coefficient was calculated at the moment of slip. The results showed that there was a significant positive effect of chalk on the coefficient of friction (+18.7% on limestone and +21.6% on sandstone). Moreover sandstone had a higher coefficient of friction than limestone (+15.6% without chalk, +18.4% with chalk). These results confirmed climbers' belief that chalk enhances friction. However, no correlation with humidity/temperature and friction coefficient was noted which suggested that additional parameters should be considered in order to understand the effects of climate on finger friction in rock climbing.

Measurement of linear attenuation coefficient of different materials

International Nuclear Information System (INIS)

Ali, M. M.

2013-07-01

In this research we study the linear attenuation coefficient from the materials concrete, brick, mixture concrete and iron. In the secondary standard dosimetry laboratory in Atomic Energy from different distance by use Cs-137 sours, chamber farmer 2675 A-600 cc-S/N 0511, and electrometer 2670 A-S/N 114. Found the value of linear attenuation coefficient of concert in the range 0.167 cm -1 , the brick in the range 0.063 -1 and mixture concrete and iron in the range 0.253cm -1 .(Author)

Effective atomic numbers for photon energy absorption of essential amino acids in the energy range 1 keV to 20 MeV

International Nuclear Information System (INIS)

Manohara, S.R.; Hanagodimath, S.M.

2007-01-01

Effective atomic numbers for photon energy-absorption (Z PEAeff ) of essential amino acids histidine, leucine, lysine, methionine, phenylalanine, threonine, tryptophan and valine have been calculated by a direct method in the energy region of 1 keV to 20 MeV. The Z PEAeff values have been found to change with energy and composition of the amino acids. The variations of mass energy-absorption coefficient, effective atomic number for photon interaction (Z PIeff ) and Z PEAeff with energy are shown graphically. Significant differences exist between Z PIeff and the Z PEAeff in the energy region of 8-100 keV for histidine and threonine; 6-100 keV for leucine, lysine, tryptophan, phenylalanine and valine; 15-400 keV for methionine. The effect of absorption edge on effective atomic numbers and the possibility of defining two set values of these parameters at the K-absorption edge of high-Z element present in the amino acids are discussed. The reasons for using Z PEAeff rather than the commonly used Z PIeff in medical radiation dosimetry for the calculation of absorbed dose in radiation therapy are also discussed

Quantum coherent tractor beam effect for atoms trapped near a nanowaveguide

Science.gov (United States)

Sadgrove, Mark; Wimberger, Sandro; Nic Chormaic, Síle

2016-01-01

We propose several schemes to realize a tractor beam effect for ultracold atoms in the vicinity of a few-mode nanowaveguide. Atoms trapped near the waveguide are transported in a direction opposite to the guided mode propagation direction. We analyse three specific examples for ultracold 23Na atoms trapped near a specific nanowaveguide (i.e. an optical nanofibre): (i) a conveyor belt-type tractor beam effect, (ii) an accelerator tractor beam effect, and (iii) a quantum coherent tractor beam effect, all of which can effectively pull atoms along the nanofibre toward the light source. This technique provides a new tool for controlling the motion of particles near nanowaveguides with potential applications in the study of particle transport and binding as well as atom interferometry. PMID:27440516

Single atom spectroscopy: Decreased scattering delocalization at high energy losses, effects of atomic movement and X-ray fluorescence yield

International Nuclear Information System (INIS)

Tizei, Luiz H.G.; Iizumi, Yoko; Okazaki, Toshiya; Nakanishi, Ryo; Kitaura, Ryo; Shinohara, Hisanori; Suenaga, Kazu

2016-01-01

Single atom localization and identification is crucial in understanding effects which depend on the specific local environment of atoms. In advanced nanometer scale materials, the characteristics of individual atoms may play an important role. Here, we describe spectroscopic experiments (electron energy loss spectroscopy, EELS, and Energy Dispersed X-ray spectroscopy, EDX) using a low voltage transmission electron microscope designed towards single atom analysis. For EELS, we discuss the advantages of using lower primary electron energy (30 keV and 60 keV) and higher energy losses (above 800 eV). The effect of atomic movement is considered. Finally, we discuss the possibility of using atomically resolved EELS and EDX data to measure the fluorescence yield for X-ray emission.

Secondary laser cooling of strontium-88 atoms

Energy Technology Data Exchange (ETDEWEB)

Strelkin, S. A.; Khabarova, K. Yu., E-mail: kseniakhabarova@gmail.com; Galyshev, A. A.; Berdasov, O. I.; Gribov, A. Yu.; Kolachevsky, N. N.; Slyusarev, S. N. [Federal State Unitary Enterprise “All-Russia Research Institute for Physicotechnical and Radio Engineering Measurements” (VNIIFTRI) (Russian Federation)

2015-07-15

The secondary laser cooling of a cloud of strontium-88 atoms on the {sup 1}S{sub 0}–{sup 3}P{sub 1} (689 nm) intercombination transition captured into a magneto-optical trap has been demonstrated. We describe in detail the recapture of atoms from the primary trap operating on the strong {sup 1}S{sub 0}–{sup 1}P{sub 1} (461 nm) transition and determine the recapture coefficient κ, the number of atoms, and their temperature in the secondary trap as a function of experimental parameters. A temperature of 2 µK has been reached in the secondary trap at the recapture coefficient κ = 6%, which confirms the secondary cooling efficiency and is sufficient to perform metrological measurements of the {sup 1}S{sub 0}–{sup 3}P{sub 1} (698 nm) clock transition in an optical lattice.

Calculations of recombination rates for cold 4He atoms from atom-dimer phase shifts and determination of universal scaling functions

International Nuclear Information System (INIS)

Shepard, J. R.

2007-01-01

Three-body recombination rates for cold 4 He are calculated with a method which exploits the simple relationship between the imaginary part of the atom-dimer elastic scattering phase shift and the S-matrix for recombination. The elastic phase shifts are computed above breakup threshold by solving a three-body Faddeev equation in momentum space with inputs based on a variety of modern atom-atom potentials. Recombination coefficients for the HFD-B3-FCII potential agree very well with the only previously published results. Since the elastic scattering and recombination processes for 4 He are governed by 'Efimov physics', they depend on universal functions of a scaling variable. The computed recombination coefficients for potentials other than HFD-B3-FCII make it possible to determine these universal functions

Net emission coefficient for CO–H2 thermal plasmas with the consideration of molecular systems

International Nuclear Information System (INIS)

Billoux, T.; Cressault, Y.; Gleizes, A.

2015-01-01

This paper deals with the calculation of net emission coefficients (NECs) for CO–H 2 thermal plasmas. This task required the elaboration of a complete spectroscopic database including atoms and molecules formed by carbon, oxygen and hydrogen elements. We have used a systematic line by line method to calculate all the main radiative contributions which are the atomic and molecular continua, the atomic lines and the molecular (diatomic and polyatomic) lines. The main diatomic electronic systems for CO–H 2 plasmas and the triatomic molecular bands were considered. We present some variations of the net emission coefficient versus temperature, for various pressures and for two relative proportions of the components. The role of the diatomic molecules is important at temperatures lower than 5000 K whereas the net emission coefficient presents an unusual peak at temperature around 1000 K, due to the presence of the CO 2 molecule presenting a strong infrared radiation. Finally, the results show that the NEC slightly depends on the relative proportion of CO and H 2 . - highlights: • We calculate radiative losses from CO–H 2 thermal plasmas. • We use the up-to-date atomic and molecular databases. • The influence of CO 2 molecule is very important at low temperature. • The relative maximum of the net emission coefficient at low temperature is unusual

Diffusion coefficients of D2 and HT in the medium of gaseous protium and in crystals of NaX zeolite

International Nuclear Information System (INIS)

Polevoj, A.S.

1993-01-01

Coefficients of HT diffusion (absent in literature) in gaseous protium medium and in crystals of the NaX zeolite compared with similar values of these coefficients for deuterium are determined on the basis of analysis of experimental data on effect NaX zeolite grain size and of H 2 -HT gaseous mixture consumption in the sorption column at separation of hydrogen atoms on the value of transfer unit. 15 refs., 1 fig., 1 tab

Effective diffusion coefficients of 3H2O in several porous materials

International Nuclear Information System (INIS)

Terashima, Yutaka; Kumaki, Toru.

1976-01-01

Diffusion coefficients of radionuclides in some porous structural materials and porous components of earth stratum are important as the basis for the safety evaluation of the storage and disposal of radioactive wastes. In our previous works, the method of analysis and experiment using a permeative type diffusion cell for measurement of effective diffusion coefficient was established, and experimental results were reported. In this paper, effective diffusion coefficients of 3 H 2 O in mortar, concrete, brick, clay layer, and sand layer were measured, and characteristics of these pore structure were discussed on the basis of tourtusity factor. (auth.)

Quantitative studies of electric field intensity on atom diffusion of Cu/Ta/Si stacks during annealing

Energy Technology Data Exchange (ETDEWEB)

Wang, Lei, E-mail: ray521252@gmail.com [Institute of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China); Stomatology Department, Nanjing General Hospital, Nanjing University, Medical School, Nanjing, 210002 (China); Asempah, Isaac; Dong, Song-Tao; Yin, Pian-Pian [Institute of Material Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China); Jin, Lei, E-mail: ljin@nju.edu.cn [Stomatology Department, Nanjing General Hospital, Nanjing University, Medical School, Nanjing, 210002 (China)

2017-03-31

Highlights: • The electric field intensity accelerates the atom diffusion of Cu/Ta/Si stacks at 650 °C. • The acceleration effect is enhanced with an increment of electric field intensity. • An acceleration factor (1 + a·a{sup E/0.8}){sup 2} accelerating diffusion coefficient is determined by quantitative analysis. - Abstract: It has been shown that enhanced electric field intensity (0–4.0 kV/cm) has an obvious effect on accelerating atom diffusion in Cu/Ta/Si interconnect stacks at 650 °C. The theoretical deduction proves that diffusion coefficient is accelerated proportional to an acceleration factor (1 + a·α{sup E/0.8}){sup 2}. The analysis indicates that the accelerating effect is mainly attributed to the perturbation of the electric state of the defects and enhanced vacancy and dislocation densities.

Study on Doppler coefficient for metallic fuel fast reactor added hydrogeneous moderator

Energy Technology Data Exchange (ETDEWEB)

Hirakawa, Naohiro; Iwasaki, Tomohiko; Tsujimoto, Kazuhumi [Tohoku Univ., Sendai (Japan). Faculty of Engineering; Osugi, Toshitaka; Okajima, Shigeaki; Andoh, Masaki; Nemoto, Tatsuo; Mukaiyama, Takehiko

1998-01-01

A series of mock-up experiments for moderator added metallic fast reactor core was carried out at FCA to obtain the experimental verification for improvement of reactivity coefficients. Softened neutron spectrum increases Doppler effect by a factor of 2, and flatter adjoint neutron spectrum decreases Na void effect by a factor of 0.6 when hydrogen to heavy metal atomic number ratio is increased from 0.02 to 0.13. The experimental results are analyzed with SLALOM and CITATION-FBR, which is the standard design code system for a fast reactor at JAERI, and SRAC95 and CITATION-FBR. The present code system gives generally good agreement with the experimental results, especially by the use of the latter, the dependence of the Doppler effect to the hydrogen to fuel element atomic number density ratio is disappeared. Therefore, it looks possible to use the present code system for the conceptual design of a fast reactor system with hydrogeneous materials. (author)

Use of appropriate absorption coefficients in gamma-ray dosimetry

International Nuclear Information System (INIS)

Gopinath, D.V.; Natarajan, A.; Subbaiah, K.V.

1985-01-01

The current use of the different types of absorption coefficients in the computation of γ-ray energy deposition rates and air dose is critically analyzed. Transport calculations are presented to bring out the errors associated with the use of different absorption coefficients. It is observed that except for source energies in the range of 0.3 to 3.0 MeV the consistent use of the absorption coefficient, μ/sub a/ results in an underestimate of the air dose everywhere and of energy deposition at regions away from source. The underestimate becomes more significant with increased atomic number (Z) of the medium. Based on the computations and analysis it is concluded that the absorption coefficients μ/sub a/ and μ/sub k/ are of very limited use in practical γ-ray dosimetry

Effect of mode–mode competition on atom–atom entanglement

International Nuclear Information System (INIS)

Qin, Wu; Mao-Fa, Fang; Jian-Wu, Cai

2010-01-01

A system consisting of two atoms interacting with a two-mode vacuum is considered, where each atom is resonant with the two cavity modes through two different competing transitions. The effect of mode–mode competition on the atom–atom entanglement is investigated. We find that the entanglement between the two atoms can be induced by the mode–mode competition. For the initial atomic state |Ψ(0)}, whether the atoms are initially separated or entangled, a large or even maximal entanglement between them can be obtained periodically by introducing the mode–mode competition. For the initial atomic state |Φ(0)}, the strong mode–mode competition can prevent the two atoms entangled initially from suffering entanglement sudden death; besides, it makes them in a more stable and longer-lived entanglement than in the non-competition case. (classical areas of phenomenology)

Octanol-water partition coefficients for predicting the effects of tannins in ruminant nutrition.

Science.gov (United States)

Mueller-Harvey, Irene; Mlambo, Victor; Sikosana, Joe L N; Smith, Tim; Owen, Emyr; Brown, Ron H

2007-07-11

Tannins can cause beneficial or harmful nutritional effects, but their great diversity has until now prevented a rational distinction between tannin structures and their nutritional responses. An attempt has been made to study this problem by examining the octanol-water solubilities of tannins. A relatively simple HPLC method has been developed for screening mixtures of plant tannins for their octanol-water partition coefficients (Kow coefficients). Tannins were isolated from the fruits and leaves of different Acacia, Calliandra, Dichrostachys, and Piliostigma species, which are known to produce beneficial or harmful effects. The Kow coefficients of these tannins ranged from 0.061 to 13.9, average coefficients of variation were 9.2% and recoveries were 107%. Acacia nilotica fruits and leaves had the highest Kow coefficients, that is, 2.0 and 13.9, respectively. These A. nilotica products also have high concentrations of tannins. The combined effects of high octanol solubilities and high tannin concentrations may explain their negative effects on animal nutrition and health. It is known that compounds with high octanol solubilities are more easily absorbed into tissues, and it is, therefore, proposed that such compounds are more likely to cause toxicity problems especially if consumed in large quantities. According to the literature, tannins in human foods tend to have low Kow coefficients, and this was confirmed for the tannins in Piliostigma thonningii fruits. Therefore, unconventional feeds or browse products should be screened not only for their tannin concentrations but also for low octanol-water partition coefficients in order to identify nutritionally safe feeds and to avoid potentially toxic feeds.

Crystal structure, magnetization, {sup 125}Te NMR, and Seebeck coefficient of Ge{sub 49}Te{sub 50}R{sub 1} (R = La, Pr, Gd, Dy, and Yb)

Energy Technology Data Exchange (ETDEWEB)

Levin, E.M., E-mail: levin@iastate.edu [Division of Materials Sciences and Engineering, US Department of Energy Ames Laboratory, Ames, IA 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Cooling, C. [Division of Materials Sciences and Engineering, US Department of Energy Ames Laboratory, Ames, IA 50011 (United States); Bud’ko, S.L. [Division of Materials Sciences and Engineering, US Department of Energy Ames Laboratory, Ames, IA 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Straszheim, W.E. [Division of Materials Sciences and Engineering, US Department of Energy Ames Laboratory, Ames, IA 50011 (United States); Lograsso, T.A. [Division of Materials Sciences and Engineering, US Department of Energy Ames Laboratory, Ames, IA 50011 (United States); Department of Materials Sciences and Engineering, Iowa State University, Ames, IA 50011 (United States)

2017-05-01

GeTe, a self-doping semiconductor, is a well-known base compound for thermoelectric and phase-change materials. It is known, that replacement of Ge in Ag{sub 6.5}Sb{sub 6.5}Ge{sub 37}Te{sub 50} (TAGS-85) material by rare earth Dy significantly enhances both the power factor and thermoelectric figure of merit. Here we demonstrate how replacement of Ge in GeTe by rare earths with different atomic size and localized magnetic moments affect XRD patterns, magnetization, {sup 125}Te NMR spectra and spin-lattice relaxation, and the Seebeck coefficient of the alloys with a nominal composition of Ge{sub 49}Te{sub 50}R{sub 1} (R = La, Pr, Gd, Dy, and Yb). SEM, EDS and WDS data show that rare earth atoms in the matrix are present at smaller extent compared to a nominal composition, whereas rare earth also is present in inclusions. Rare earths affect the Seebeck coefficient, which is a result of interplay between the reduction due to higher carrier concentration and enhancement due to magnetic contribution. The effect of replacement of Ge in GeTe by Dy on the Seebeck coefficient is smaller than that observed in Ag{sub 6.5}Sb{sub 6.5}Ge{sub 36} Te{sub 50}Dy{sub 1}. This can be explained by larger amount of rare earth, which can be embedded into the lattice of materials containing [Ag + Sb] atomic pairs and possible effect from these pairs. - Highlights: • The effects of rare earth in Ge{sub 49}Te{sub 50}R{sub 1} (R = La, Pr, Gd, Dy, and Yb) are studied. • Rare earth atoms in the matrix are present at smaller extent compared to a nominal composition. • The effect on the Seebeck coefficient is a result from carrier concentration and magnetic contribution.

Ab initio atomic simulation of hydrogen and iodine effects in zirconium

International Nuclear Information System (INIS)

Domain, Ch.

2002-03-01

In this work we present ab initio atomic simulations concerning the effects of hydrogen and iodine in hexagonal zirconium. We first studied the point defects in the dilute Zr-H (and to a less extend Zr-H-O) systems and concluded that it is better described within the generalised gradient approximation for the exchange and correlation functional. We calculated the hydrogen thermal diffusion coefficient in solid solution that agree very well with the experimental values. The calculated formation energy of different self-interstitial configuration are rather small (around 3 eV) and close to each other indicating the high complexity of these defects. We studied the core structure of the screw dislocation that has a preferential prismatic spreading. We also calculated the gamma surface for different gliding planes. The influence of hydrogen, that induces a significant reduction of the gamma surfaces excess energies, allows to qualitatively explain experimental results regarding some hydrogen effects on hexagonal zirconium plastic deformation. We also discussed the effect of zirconium hydride stoichiometry on gamma surfaces. The results concerning the iodine and oxygen adsorption on zirconium surfaces, inducing the evaluation of the effective surface energy reduction as a function of the iodine partial pressure allow for a better description of iodine induced stress corrosion cracking of zirconium. (author)

Single atom spectroscopy: Decreased scattering delocalization at high energy losses, effects of atomic movement and X-ray fluorescence yield.

Science.gov (United States)

Tizei, Luiz H G; Iizumi, Yoko; Okazaki, Toshiya; Nakanishi, Ryo; Kitaura, Ryo; Shinohara, Hisanori; Suenaga, Kazu

2016-01-01

Single atom localization and identification is crucial in understanding effects which depend on the specific local environment of atoms. In advanced nanometer scale materials, the characteristics of individual atoms may play an important role. Here, we describe spectroscopic experiments (electron energy loss spectroscopy, EELS, and Energy Dispersed X-ray spectroscopy, EDX) using a low voltage transmission electron microscope designed towards single atom analysis. For EELS, we discuss the advantages of using lower primary electron energy (30 keV and 60 keV) and higher energy losses (above 800 eV). The effect of atomic movement is considered. Finally, we discuss the possibility of using atomically resolved EELS and EDX data to measure the fluorescence yield for X-ray emission. Copyright © 2015 Elsevier B.V. All rights reserved.

Analysis of internal conversion coefficients

International Nuclear Information System (INIS)

Coursol, N.; Gorozhankin, V.M.; Yakushev, E.A.; Briancon, C.; Vylov, Ts.

2000-01-01

An extensive database has been assembled that contains the three most widely used sets of calculated internal conversion coefficients (ICC): [Hager R.S., Seltzer E.C., 1968. Internal conversion tables. K-, L-, M-shell Conversion coefficients for Z=30 to Z=103, Nucl. Data Tables A4, 1-237; Band I.M., Trzhaskovskaya M.B., 1978. Tables of gamma-ray internal conversion coefficients for the K-, L- and M-shells, 10≤Z≤104, Special Report of Leningrad Nuclear Physics Institute; Roesel F., Fries H.M., Alder K., Pauli H.C., 1978. Internal conversion coefficients for all atomic shells, At. Data Nucl. Data Tables 21, 91-289] and also includes new Dirac-Fock calculations [Band I.M. and Trzhaskovskaya M.B., 1993. Internal conversion coefficients for low-energy nuclear transitions, At. Data Nucl. Data Tables 55, 43-61]. This database is linked to a computer program to plot ICCs and their combinations (sums and ratios) as a function of Z and energy, as well as relative deviations of ICC or their combinations for any pair of tabulated data. Examples of these analyses are presented for the K-shell and total ICCs of the gamma-ray standards [Hansen H.H., 1985. Evaluation of K-shell and total internal conversion coefficients for some selected nuclear transitions, Eur. Appl. Res. Rept. Nucl. Sci. Tech. 11.6 (4) 777-816] and for the K-shell and total ICCs of high multipolarity transitions (total, K-, L-, M-shells of E3 and M3 and K-shell of M4). Experimental data sets are also compared with the theoretical values of these specific calculations

Chemical effects of /sup 32/P recoil atom

Energy Technology Data Exchange (ETDEWEB)

Matsuura, N [Tokyo Univ. (Japan). Coll. of General Education

1975-06-01

Szilard-Chalmers' effect of /sup 32/P were reviewed. The concentration method using Szilard-Chalmers' effect in production of radioisotope, circumstances such as exposure time in an atomic pile, states of target substances and the yields by them were discussed. Many kinds of chemical effects, such as chemical effects of /sup 32/P recoil atom in phosphorated glass, studies of the effect of adducts, the threshold of ..gamma..-ray effect, the oxidation number of /sup 32/P in phosphorated glass by exposure time in the pile and the labelling position of /sup 32/P, are associated with caryotransformation (nuclear transformation) by environmental factors. The abovementioned articles were explained concerning /sup 32/P.

Determination of fluence-to-dose conversion coefficients by means of artificial neural networks

International Nuclear Information System (INIS)

Soto B, T. G.; Rivera P, E.; De Leon M, H. A.; Hernandez D, V. M.; Vega C, H. R.; Gallego, E.; Lorente, A.

2012-10-01

In this paper is presented an Artificial Neural Network (Ann) that has been designed, trained and validated to determinate the effective dose e, ambient dose equivalent h(10) and personal dose equivalent hp(10,θ) fluence-to-dose conversion coefficients at different positions, having as only input data 7 count rates obtained with a Bonner Sphere Spectrometer (Bss) system. A set of 211 neutron spectra and the fluence-to-dose conversion coefficients published by the International Atomic Energy Agency were used to train and validate the Ann. This set was divided into 2 subsets, one of 181 elements to train the Ann and the remaining 30 to validate it. The Ann was trained using Bss count rates as input data and the fluence-to-dose conversion coefficients as output data. The network was validated and tested with the set of 30 elements that were not used during the training process. Good results were obtained proving that Ann are a good choice for calculating the fluence-to-dose conversion coefficients having as only data the count rates obtained with a Bss. (Author)

Determination of fluence-to-dose conversion coefficients by means of artificial neural networks

Energy Technology Data Exchange (ETDEWEB)

Soto B, T. G.; Rivera P, E.; De Leon M, H. A.; Hernandez D, V. M.; Vega C, H. R. [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Cipres No. 10, Fracc. La Penuela, 98068 Zacatecas (Mexico); Gallego, E.; Lorente, A., E-mail: tzinnia.soto@gmail.com [Universidad Politecnica de Madrid, Departamento de Ingenieria Nuclear, Jose Gutierrez Abascal No. 2, 28006 Madrid (Spain)

2012-10-15

In this paper is presented an Artificial Neural Network (Ann) that has been designed, trained and validated to determinate the effective dose e, ambient dose equivalent h(10) and personal dose equivalent hp(10,{theta}) fluence-to-dose conversion coefficients at different positions, having as only input data 7 count rates obtained with a Bonner Sphere Spectrometer (Bss) system. A set of 211 neutron spectra and the fluence-to-dose conversion coefficients published by the International Atomic Energy Agency were used to train and validate the Ann. This set was divided into 2 subsets, one of 181 elements to train the Ann and the remaining 30 to validate it. The Ann was trained using Bss count rates as input data and the fluence-to-dose conversion coefficients as output data. The network was validated and tested with the set of 30 elements that were not used during the training process. Good results were obtained proving that Ann are a good choice for calculating the fluence-to-dose conversion coefficients having as only data the count rates obtained with a Bss. (Author)

Atomic absorption spectrophotometry of europium using an enhancing effect of ammonium perchlorate

International Nuclear Information System (INIS)

Oguro, Hiroshi

1976-01-01

In the atomic absorption spectrophotometry of europium in air-acetylene flame, ammonium perchlorate (NH 4 ClO 4 ) increases the absorption of europium. In the case of 0.5 M NH 4 ClO 4 , the increase is by about 1.5 times. In this paper, a method for eliminating the interferences of many coexisting compounds using an enhancing effect and a method for determining Eu 2 O 3 in La 2 O 3 were investigated. The working conditions using Nippon Jarrell-Ash model AA-1 atomic absorption/flame emission spectrophotometer were as follows; wavelength 4594 A, lamp current 15 mA, burner height 10 mm, air flow-rate 6.51/min, acetylene flow-rate 1.81/min. Though the enhancing or depressing effects of HCl, HNO 3 , HBr and HClO 4 in concentrations below 0.1 M were eliminated by 0.5 M NH 4 ClO 4 , the remarkable depressing effects of H 2 SO 4 and H 3 PO 4 on europium could not be eliminated. The interferences of Na + , K + , Cs + and Al 3+ in the concentration of 200 ppm were not eliminated, but those of other cations including rare earth elements were completely eliminated. Lanthanum in the range of (2000--10000) ppm increased the absorption of europium by about 1.4 times. But the effect of lanthanum in the range of (0--9000) ppm was also eliminated by NH 4 ClO 4 . The calibration curve for europium in the presence of NH 4 ClO 4 was linear in the range of (0--400) ppm with a sensitivity larger by about 1.5 times than that for europium alone. The analytical procedure is as follows. A sample is dissolved in HCl and NH 4 ClO 4 is added. Europium in the sample solution is determined by atomic absorption method using air-acetylene flame. For practical samples, the values obtained were in fair agreement with those by the flame emission method using a nitrous oxide-acetylene flame. The coefficients of variation by the present method were (3.7--2.4)% (Eu 2 O 3 content (1--3)%). (auth.)

Systematic errors in the tables of theoretical total internal conversion coefficients

International Nuclear Information System (INIS)

Dragoun, O.; Rysavy, M.

1992-01-01

Some of the total internal conversion coefficients presented in widely used tables of Rosel et al (1978 Atom. Data Nucl. Data Tables 21, 291) were found to be erroneous. The errors appear for some low transition energies, all multipolarities, and probably for all elements. The origin of the errors is explained. The subshell conversion coefficients of Rosel et al, where available, agree with our calculations. to within a few percent. (author)

Effect Of Particle Size Of Zeolite On The Mass Transfer Coefficient Of Strontium In The Radioactive Waste Ion-Exchange Process

International Nuclear Information System (INIS)

Dewi-Susilowati; Suyitno

1998-01-01

This research is aimed for finding out the volumetric mass transfer coefficient of the zeolite particle, ks. The experiment has been conducted using an ion exchange column. The column diameter and length are 4.2 cm and 28 cm, respectively. The experiments have been conducted by flowing in the feed to the ion-exchange column containing zeolite with the varied particle diameters, I.e. 20, 40, 60, 80 and 100 mesh. The feed concentrations of Sr(NO 3 ) 2 , have been varied, I.e. 100, 250, 450, 550 and 650 ppm, and so have been the flow rates, I.e/ 35, 49, 70, 90 and 105 ml/minute. Samples of the effluents have been taken at certain series of time and subjected to analysis using an Atomic Absorption Spectrophotometer. The analytical data obtained have shown that the mass transfer coefficient of the zeolite particle is predominantly affected by the zeolite structure, in particular is effected by the number of AI atoms that hold the K ions. The analytical result from the above parameters has been presented in the forms of several groups of dimensionless number. The equations obtained are: (k L *dp)/D L 18.902(Re) 0 ,378 (dp/D) 0 ,6972(Co * ) 0 ,2667 with a mean error of 7.26%; k S 2240.268(dp/D) 1 .553; and each of them is valid in range of: Re: 0.182 - 0.856; dp/D: 0.004 - 0.022; Co * : 9.5408x10 - 5 - 6.2827x10 - 4

On the secondly quantized theory of the many-electron atom

International Nuclear Information System (INIS)

Gaigalas, Gediminas; Rudzikas, Zenonas

1996-01-01

The traditional theory of many-electron atoms and ions is based on the coefficients of fractional parentage and matrix elements of tensorial operators, composed of unit tensors. The calculation of spin-angular coefficients of radial integrals appearing in the expressions of matrix elements of arbitrary physical operators of atomic quantities has two main disadvantages: (i) the numerical codes for the calculation of spin-angular coefficients are usually very time consuming; (ii) f-shells are often omitted from programs for matrix element calculations since the tables for their coefficients of fractional parentage are very extensive. The authors assume that a series of difficulties persisting in the traditional approach to the calculation of spin-angular parts of matrix elements can be avoided by using this secondly quantized methodology, based on angular momentum theory, on the concept of the irreducible tensorial sets, on a generalized graphical method, on quasispin and on the reduced coefficients of fractional parentage. (author)

Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma

Science.gov (United States)

Bakhtiyari-Ramezani, M.; Mahmoodi, J.; Alinejad, N.

2015-11-01

In the fusion devices, ions, H atoms, and H2 molecules collide with dust grains and exert stochastic torques which lead to small variations in angular momentum of the grain. By considering adsorption of the colliding particles, thermal desorption of H atoms and normal H2 molecules, and desorption of the recombined H2 molecules from the surface of an oblate spheroidal grain, we obtain diffusion coefficients of the Fokker-Planck equation for the distribution function of fluctuating angular momentum. Torque coefficients corresponding to the recombination mechanism show that the nonspherical dust grains may rotate with a suprathermal angular velocity.

Spin valve effect in single-atom contacts

International Nuclear Information System (INIS)

Ziegler, M; Neel, N; Berndt, R; Lazo, C; Ferriani, P; Heinze, S; Kroeger, J

2011-01-01

Magnetic single-atom contacts have been controllably fabricated with a scanning tunnelling microscope. A voltage-dependent spin valve effect with conductance variations of ∼40% is reproducibly observed from contacts comprising a Cr-covered tip and Co and Cr atoms on ferromagnetic nanoscale islands on W(110) with opposite magnetization. The spin-dependent conductances are interpreted from first-principles calculations in terms of the orbital character of the relevant electronic states of the junction.

Photon albedo coefficients as functions of μ/Zeff parameter

Directory of Open Access Journals (Sweden)

Ljubenov Vladan L.

2013-01-01

Full Text Available This paper presents the results of the analyses of photon reflection from planar targets for normal photon incidence and for different shielding materials (water, concrete, aluminum, iron, and copper, in the range of the initial photon energies from 20 keV to 300 keV. Calculations of photon reflection parameters based on the results of Monte Carlo simulations of the photon transport have been performed using MCNP4C code. Integral reflection coefficients, presented as functions of the ratio of total cross-section of photons and effective atomic number of target material, show universal behaviour for all the analyzed shielding materials in the selected energy domain.

Laser cooling of quasi-free atoms in a nondissipative optical lattice

International Nuclear Information System (INIS)

Matveeva, N. A.; Taichenachev, A. V.; Tumaikin, A. M.; Yudin, V. I.

2007-01-01

A quasi-classical theory of laser cooling is applied to the analysis of cooling of unbound atoms with the angular momenta 1/2 in the ground and excited states in a one-dimensional nondissipative optical lattice. In the low-saturation limit with respect to the pumping field, the mechanisms of cooling can be interpreted within the framework of an effective two-level system of ground-state sublevels. In the limit of weak Raman transitions, the mechanism of cooling of unbound atoms is similar to the Doppler mechanism known in the theory of a two-level atom; in the limit of strong transitions, the mechanism of cooling is analogous to the well-known Sisyphys mechanism. In the slow-atom approximation, analytical expressions are obtained for the friction (drag) coefficient and the induced and spontaneous diffusion, and the kinetic temperature is estimated

Dielectronic and Trielectronic Recombination Rate Coefficients of Be-like Ar14+

Science.gov (United States)

Huang, Z. K.; Wen, W. Q.; Xu, X.; Mahmood, S.; Wang, S. X.; Wang, H. B.; Dou, L. J.; Khan, N.; Badnell, N. R.; Preval, S. P.; Schippers, S.; Xu, T. H.; Yang, Y.; Yao, K.; Xu, W. Q.; Chuai, X. Y.; Zhu, X. L.; Zhao, D. M.; Mao, L. J.; Ma, X. M.; Li, J.; Mao, R. S.; Yuan, Y. J.; Wu, B.; Sheng, L. N.; Yang, J. C.; Xu, H. S.; Zhu, L. F.; Ma, X.

2018-03-01

Electron–ion recombination of Be-like 40Ar14+ has been measured by employing the electron–ion merged-beams method at the cooler storage ring CSRm. The measured absolute recombination rate coefficients for collision energies from 0 to 60 eV are presented, covering all dielectronic recombination (DR) resonances associated with 2s 2 → 2s2p core transitions. In addition, strong trielectronic recombination (TR) resonances associated with 2s 2 → 2p 2 core transitions were observed. Both DR and TR processes lead to series of peaks in the measured recombination spectrum, which have been identified by the Rydberg formula. Theoretical calculations of recombination rate coefficients were performed using the state-of-the-art multi-configuration Breit–Pauli atomic structure code AUTOSTRUCTURE to compare with the experimental results. The plasma rate coefficients for DR+TR of Ar14+ were deduced from the measured electron–ion recombination rate coefficients in the temperature range from 103 to 107 K, and compared with calculated data from the literature. The experimentally derived plasma rate coefficients are 60% larger and 30% lower than the previously recommended atomic data for the temperature ranges of photoionized plasmas and collisionally ionized plasmas, respectively. However, good agreement was found between experimental results and the calculations by Gu and Colgan et al. The plasma rate coefficients deduced from experiment and calculated by the current AUTOSTRUCTURE code show agreement that is better than 30% from 104 to 107 K. The present results constitute a set of benchmark data for use in astrophysical modeling.

Numerical study of effects of accommodation coefficients on slip phenomena

Energy Technology Data Exchange (ETDEWEB)

Choi, Young Jae; Kwon, Oh Joon [KAIST, Daejeon (Korea, Republic of)

2015-05-15

An unstructured mesh Navier-Stokes solver employing a Maxwell slip boundary condition was developed. The present flow solver was applied to the simulation of flows around an axisymmetric hollow cylinder in a Mach 10.4 free stream, known as Calspan-UB Research Center (CUBRC) Run 14 case, and the velocity slip and the temperature jump on the cylinder surface were investigated. The effect of tangential momentum and thermal accommodation coefficients used in the Maxwell condition was also investigated by adjusting their values. The results show that the reverse flow region is developed on the body surface due to the interaction between the shock and the boundary layer. Also, the shock impingement makes pressure high. The flow properties on the surface agree well with the experimental data, and the velocity slip and the temperature jump vary consistently with the local Knudsen number change. The accommodation coefficients affect the slip phenomena and the size of the flow region. The slip phenomena become larger when both tangential momentum and thermal accommodation coefficients are decreased. However, the range of the reverse flow region decreases when the momentum accommodation coefficient is decreased. The characteristics of the momentum and thermal accommodation coefficients also are overlapped when they are altered together.

Effects of radiation on hetero-atom-containing polyacetylenes

International Nuclear Information System (INIS)

Yamaoka, H.; Matsuyama, T.; Masuda, T.; Higashimura, T.

1991-01-01

The effects of radiation on several substituted polyacetylenes containing hetero-atoms such as silicon and chlorine were studied. All the polymers containing silicon atoms degraded in the presence of air, whereas no degradation proceeded in vacuo. In the case of polymers containing chlorine atoms, degradation and crosslinking occurred simultaneously, both in air and in vacuo. The reaction mode of these polymers was found to be strongly dependent on the nature of the substituents. The relationship between the radiation sensitivity and thermal stability of substituted polyacetylenes is discussed on the basis of the obtained results. (author)

FIELD-SCALE EFFECTIVE MATRIX DIFFUSION COEFFICIENT FOR FRACTURED ROCK: RESULTS FROM LITERATURE SURVEY

International Nuclear Information System (INIS)

Zhou, Q.; Hui-Hai Liu; Molz, F.J.; Zhang, Y.; Bodvarsson, G.S.

2005-01-01

Matrix diffusion is an important mechanism for solute transport in fractured rock. We recently conducted a literature survey on the effective matrix diffusion coefficient, D m e , a key parameter for describing matrix diffusion processes at the field scale. Forty field tracer tests at 15 fractured geologic sites were surveyed and selected for the study, based on data availability and quality. Field-scale D m e values were calculated, either directly using data reported in the literature or by reanalyzing the corresponding field tracer tests. Surveyed data indicate that the effective-matrix-diffusion-coefficient factor F D (defined as the ratio of D m e to the lab-scale matrix diffusion coefficient [D m ] of the same tracer) is generally larger than one, indicating that the effective matrix diffusion coefficient in the field is comparatively larger than the matrix diffusion coefficient at the rock-core scale. This larger value can be attributed to the many mass-transfer processes at different scales in naturally heterogeneous, fractured rock systems. Furthermore, we observed a moderate trend toward systematic increase in the F D value with observation scale, indicating that the effective matrix diffusion coefficient is likely to be statistically scale dependent. The F D value ranges from 1 to 10,000 for observation scales from 5 to 2,000 m. At a given scale, the F D value varies by two orders of magnitude, reflecting the influence of differing degrees of fractured rock heterogeneity at different sites. In addition, the surveyed data indicate that field-scale longitudinal dispersivity generally increases with observation scale, which is consistent with previous studies. The scale-dependent field-scale matrix diffusion coefficient (and dispersivity) may have significant implications for assessing long-term, large-scale radionuclide and contaminant transport events in fractured rock, both for nuclear waste disposal and contaminant remediation

Analysis of the physical atomic forces between noble gas atoms, alkali ions and halogen ions

Science.gov (United States)

Wilson, J. W.; Heinbockel, J. H.; Outlaw, R. A.

1986-01-01

The physical forces between atoms and molecules are important in a number of processes of practical importance, including line broadening in radiative processes, gas and crystal properties, adhesion, and thin films. The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base for the dispersion forces is developed from the literature based on evaluations with the harmonic oscillator dispersion model for higher order coefficients. The Zener model of the repulsive core is used in the context of the recent asymptotic wave functions of Handler and Smith; and an effective ionization potential within the Handler and Smith wave functions is defined to analyze the two body potential data of Waldman and Gordon, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.

Temperature coefficients of reactivity in the fourth loading of ZENITH

Energy Technology Data Exchange (ETDEWEB)

Caro Manso, R; Freemantle, R G; Rogers, J D [Graphite Reactor Physics Division, Atomic Energy Establishment, Winfrith, Dorchester, Dorset (United Kingdom)

1962-10-15

Measurements have been made of the temperature coefficients of reactivity associated with the core plus end reflectors and the side reflector of the fourth core loading of ZENITH, which had a carbon/U235 atomic ratio of 7788 and no other absorber. (author)

Temperature coefficients of reactivity in the fourth loading of ZENITH

International Nuclear Information System (INIS)

Caro Manso, R.; Freemantle, R.G.; Rogers, J.D.

1962-10-01

Measurements have been made of the temperature coefficients of reactivity associated with the core plus end reflectors and the side reflector of the fourth core loading of ZENITH, which had a carbon/U235 atomic ratio of 7788 and no other absorber. (author)

Micro- and macroscale coefficients of friction of cementitious materials

International Nuclear Information System (INIS)

Lomboy, Gilson; Sundararajan, Sriram; Wang, Kejin

2013-01-01

Millions of metric tons of cementitious materials are produced, transported and used in construction each year. The ease or difficulty of handling cementitious materials is greatly influenced by the material friction properties. In the present study, the coefficients of friction of cementitious materials were measured at the microscale and macroscale. The materials tested were commercially-available Portland cement, Class C fly ash, and ground granulated blast furnace slag. At the microscale, the coefficient of friction was determined from the interaction forces between cementitious particles using an Atomic Force Microscope. At the macroscale, the coefficient of friction was determined from stresses on bulk cementitious materials under direct shear. The study indicated that the microscale coefficient of friction ranged from 0.020 to 0.059, and the macroscale coefficient of friction ranged from 0.56 to 0.75. The fly ash studied had the highest microscale coefficient of friction and the lowest macroscale coefficient of friction. -- Highlights: •Microscale (interparticle) coefficient of friction (COF) was determined with AFM. •Macroscale (bulk) COF was measured under direct shear. •Fly ash had the highest microscale COF and the lowest macroscale COF. •Portland cement against GGBFS had the lowest microscale COF. •Portland cement against Portland cement had the highest macroscale COF

Atomic transport properties

International Nuclear Information System (INIS)

Freyss, M.

2015-01-01

As presented in the first chapter of this book, atomic transport properties govern a large panel of nuclear fuel properties, from its microstructure after fabrication to its behaviour under irradiation: grain growth, oxidation, fission product release, gas bubble nucleation. The modelling of the atomic transport properties is therefore the key to understanding and predicting the material behaviour under irradiation or in storage conditions. In particular, it is noteworthy that many modelling techniques within the so-called multi-scale modelling scheme of materials make use of atomic transport data as input parameters: activation energies of diffusion, diffusion coefficients, diffusion mechanisms, all of which are then required to be known accurately. Modelling approaches that are readily used or which could be used to determine atomic transport properties of nuclear materials are reviewed here. They comprise, on the one hand, static atomistic calculations, in which the migration mechanism is fixed and the corresponding migration energy barrier is calculated, and, on the other hand, molecular dynamics calculations and kinetic Monte-Carlo simulations, for which the time evolution of the system is explicitly calculated. (author)

Effect of hypothermic pulmonary artery flushing on capillary filtration coefficient.

Science.gov (United States)

Andrade, R S; Wangensteen, O D; Jo, J K; Tsai, M Y; Bolman, R M

2000-07-27

We previously demonstrated that surfactant dilution and inhibition occur immediately after pulmonary artery flushing with hypothermic modified Euro-Collins solution. Consequently, we speculated that increased capillary permeability contributed to these surfactant changes. To test this hypothesis, we evaluated the effects of hypothermic pulmonary artery flushing on the pulmonary capillary filtration coefficient (Kfc), and additionally performed a biochemical analysis of surfactant. We used a murine isolated, perfused lung model to measure the pulmonary capillary filtration coefficient and hemodynamic parameters, to determine the wet to dry weight ratio, and to evaluate surfactant by biochemical analysis of lung lavage fluid. We defined three study groups. In group I (controls), we harvested lungs without hypothermic pulmonary artery flushing, and measured Kfc immediately. In group II (in situ flush), we harvested lungs after hypothermic pulmonary artery flushing with modified Euro-Collins solution, and then measured Kfc. Experiments in groups I and II were designed to evaluate persistent changes in Kfc after pulmonary artery flushing. In group III (ex vivo flush), we flushed lungs ex vivo to evaluate transient changes in Kfc during hypothermic pulmonary artery flushing. Groups I and II did not differ significantly in capillary filtration coefficient and hemodynamics. Group II showed significant alterations on biochemical surfactant analysis and a significant increase in wet-to-dry weight ratio, when compared with group I. In group III, we observed a significant transient increase in capillary filtration coefficient during pulmonary artery flushing. Hypothermic pulmonary artery flushing transiently increases the capillary filtration coefficient, leads to an increase in the wet to dry weight ratio, and induces biochemical surfactant changes. These findings could be explained by the effects of hypothermic modified Euro-Collins solution on pulmonary capillary

Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method

Energy Technology Data Exchange (ETDEWEB)

Lötstedt, Erik, E-mail: lotstedt@chem.s.u-tokyo.ac.jp; Kato, Tsuyoshi; Yamanouchi, Kaoru [Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

2016-04-21

An approximate implementation of the multiconfiguration time-dependent Hartree-Fock method is proposed, in which the matrix of configuration-interaction coefficients is decomposed into a product of matrices of smaller dimension. The applicability of this method in which all the configurations are kept in the expansion of the wave function, while the configuration-interaction coefficients are approximately calculated, is discussed by showing the results on three model systems: a one-dimensional model of a beryllium atom, a one-dimensional model of a carbon atom, and a one-dimensional model of a chain of four hydrogen atoms. The time-dependent electronic dynamics induced by a few-cycle, long-wavelength laser pulse is found to be well described at a lower computational cost compared to the standard multiconfiguration time-dependent Hartree-Fock treatment. Drawbacks of the method are also discussed.

Collective effects on transport coefficients of relativistic nuclear matter. Pt. 2

International Nuclear Information System (INIS)

Mornas, L.

1993-04-01

The transport coefficients (thermal conductivity, shear and bulk viscosities) of symmetric nuclear matter and neutron matter are calculated in the Walecka model with a Boltzmann-Uehling-Uhlenbeck collision term by means of a Chapman-Enskog expansion in first order. The order of magnitude of the influence of collective effects induced by the presence of the mean σ and ω fields on these coefficients is evaluated. (orig.). 9 figs

Atomic size effect on critical cooling rate and glass formation

International Nuclear Information System (INIS)

Jalali, Payman; Li Mo

2005-01-01

Atomic size effect on critical cooling rate and glass formability in a model binary system is investigated using molecular dynamics simulation. To isolate atomic size effect from the rest of the factors that critically influence the glass formation, a hard sphere model is employed in conjunction with a newly developed densification method. The glass formability is defined as a set of optimal conditions that result in the slowest cooling rate of the glass-forming liquid. Critical cooling rates are identified from extensive molecular dynamics simulations. A kinetic glass-forming diagram is mapped out that marks the boundary between the glass-forming regions and competing crystalline phases in terms of the parameters of the atomic size ratio and alloy concentration. It is found that the potency of the atomic size difference on glass formation is influenced greatly by the competing metastable and equilibrium crystalline phases in the system, and the kinetic processes leading to the formation of these phases. The mechanisms of the atomic size effect on topological instability of crystal packing and glass formation are discussed

Study of the relationship between peaks scattering Rayleigh to Compton ratio and effective atomic number in biological samples

International Nuclear Information System (INIS)

Pereira, Marcelo O.; Conti, Claudio de Carvalho; Anjos, Marcelino J.; Lopes, Ricardo T.

2011-01-01

The aim of this work was to develop a new method to correct the absorbed radiation (the mass attenuation coefficient curve) in low energy (E B O 3 , Na 2 CO 3 , CaCO 3 , Al 2 O 3 , K 2 SO 4 and MgO) of radiation produced by a gamma-ray source of Am-241(59.54 keV) also applied to certified biological samples of milk powder, hay powder and bovine liver (NIST 155 7B). In addition, six methods of effective atomic number determination were used as described in literature to determinate the Rayleigh to Compton scattering ratio (R/C) , in order to calculate the mass attenuation coefficient. The results obtained by the proposed method were compared with those obtained using the transmission method. The experimental results were in good agreement with transmission values suggesting that the method to correct radiation absorption presented in this paper is adequate for biological samples. (author)

Effective Diffusion Coefficients in Coal Chars

DEFF Research Database (Denmark)

Johnsson, Jan Erik; Jensen, Anker

2001-01-01

Knowledge of effective diffusion coefficients in char particles is important when interpreting experimental reactivity measurements and modeling char combustion or NO and N2O reduction. In this work, NO and N2O reaction with a bituminous coal char was studied in a fixed-bed quartz glass reactor....... In the case of strong pore diffusion limitations, the error in the interpretation of experimental results using the mean pore radius could be a factor of 5 on the intrinsic rate constant. For an average coal char reacting with oxygen at 1300 K, this would be the case for particle sizes larger than about 50...

Wind shear coefficients and their effect on energy production

International Nuclear Information System (INIS)

Rehman, Shafiqur; Al-Abbadi, Naif M.

2005-01-01

This paper provides realistic values of wind shear coefficients calculated using measured values of wind speed at 20, 30 and 40 m above the ground for the first time in Saudi Arabia in particular and, to the best of the authors' knowledge, in the Gulf region in general. The paper also presents air density values calculated using the measured air temperature and surface pressure and the effects of wind shear factor on energy production from wind machines of different sizes. The measured data used in the study covered a period of almost three years between June 17, 1995 and December 1998. An overall mean value of wind shear coefficient of 0.194 can be used with confidence to calculate the wind speed at different heights if measured values are known at one height. The study showed that the wind shear coefficient is significantly influenced by seasonal and diurnal changes. Hence, for precise estimations of wind speed at a height, both monthly or seasonal and hourly or night time and day time average values of wind shear coefficient must be used. It is suggested that the wind shear coefficients must be calculated either (i) using long term average values of wind speed at different heights or (ii) using those half hourly mean values of wind speed for which the wind shear coefficient lies in the range 0 and 0.51. The air density, calculated using measured temperature and pressure was found to be 1.18 kg/m 3 . The air density values were also found to vary with the season of the year and hour of the day, and hence, care must be taken when precise calculations are to be made. The air density values, as shown in this paper, have no significant variation with height. The energy production analysis showed that the actual wind shear coefficient presented in this paper produced 6% more energy compared to that obtained using the 1/7 power law. Similarly, higher plant capacity factors were obtained with the wind shear factor of 0.194 compared to that with 0.143

Atomic data for beam-stimulated plasma spectroscopy in fusion plasmas

International Nuclear Information System (INIS)

Marchuk, O.; Biel, W.; Schlummer, T.; Ralchenko, Yu.; Schultz, D. R.

2013-01-01

Injection of high energy atoms into a confined plasma volume is an established diagnostic technique in fusion research. This method strongly depends on the quality of atomic data for charge-exchange recombination spectroscopy (CXRS), motional Stark effect (MSE) and beam-emission spectroscopy (BES). We present some examples of atomic data for CXRS and review the current status of collisional data for parabolic states of hydrogen atoms that are used for accurate MSE modeling. It is shown that the collisional data require knowledge of the excitation density matrix including the off-diagonal matrix elements. The new datasets for transitions between parabolic states are used in an extended collisional-radiative model. The ratios between the σ- and π-components and the beam-emission rate coefficients are calculated in a quasi-steady state approximation. Good agreement with the experimental data from JET is found which points out to strong deviations from the statistical distribution for magnetic sublevels

Feshbach resonances in cold collisions of potassium atoms

International Nuclear Information System (INIS)

Bambini, A.; Geltman, S.

2002-01-01

In this paper we briefly review the basic steps that allow the calculation of the scattering length in the collision of two alkali-metal atoms in a well defined magnetic polarization state, and in the presence of a static magnetic field. Calculations are actually done for the low-field seeking state F=1, μ F =-1 of bosonic potassium atoms. The electrostatic potentials obtained through Rydberg-Klein-Rees data are connected to a dispersive, long range tail in which the dominant dipole-dipole C 6 term may take different values within a specified range. We show the occurrence of Feshbach resonances in the ultra cold collision of two identical atoms, belonging either to the bosonic species 39 K or 41 K. Our results demonstrate that there is a range of C 6 values for which the collision of two 39 K atoms displays a single resonance, while for other values of C 6 no resonance occurs. On the other hand, Feshbach resonances are present in the collision of two 41 K atoms for almost all values of the dispersion coefficient C 6 in that range. We also show the origin of the different types of Feshbach resonances that occur in the cold collision of two 41 K atoms. The detection of such resonances can help establish the actual value of the dispersive coefficient

Electronic Conduction through Atomic Chains, Quantum Well and Quantum Wire

International Nuclear Information System (INIS)

Sharma, A. C.

2011-01-01

Charge transport is dynamically and strongly linked with atomic structure, in nanostructures. We report our ab-initio calculations on electronic transport through atomic chains and the model calculations on electron-electron and electron-phonon scattering rates in presence of random impurity potential in a quantum well and in a quantum wire. We computed synthesis and ballistic transport through; (a) C and Si based atomic chains attached to metallic electrodes, (b) armchair (AC), zigzag (ZZ), mixed, rotated-AC and rotated-ZZ geometries of small molecules made of 2S, 6C and 4H atoms attaching to metallic electrodes, and (c) carbon atomic chain attached to graphene electrodes. Computed results show that synthesis of various atomic chains are practically possible and their transmission coefficients are nonzero for a wide energy range. The ab-initio calculations on electronic transport have been performed with the use of Landauer-type scattering formalism formulated in terms of Grben's functions in combination with ground-state DFT. The electron-electron and electron-phonon scattering rates have been calculated as function of excitation energy both at zero and finite temperatures for disordered 2D and 1D systems. Our model calculations suggest that electron scattering rates in a disordered system are mainly governed by effective dimensionality of a system, carrier concentration and dynamical screening effects.

Atomic hydrogen effects on high-Tc superconductors

International Nuclear Information System (INIS)

Frantskevich, N.V.; Ulyashin, A.G.; Alifanov, A.V.; Stepanenko, A.V.; Fedotova, V.V.

1999-01-01

The atomic hydrogen effects on the properties of bulk high-temperature superconductors were investigated. It is shown that the insertion of the atomic hydrogen into the bulk of these materials from a DC plasma leads to the increase of the critical current density J c for YBaCuO(123) as well as for BiSrCaCuO(2223) high-temperature superconductors. It is found that the hydrogenation of the He implanted samples with following annealing leads to the optically detected blistering on the surface. It means that the textured thin subsurface layers of high-temperature superconductors can be formed by this method. The improvement of superconductivity by atomic hydrogen can be explained by the passivation of dangling bonds and defects on grain boundaries of these materials

Estimation of the effective distribution coefficient from the solubility constant

International Nuclear Information System (INIS)

Wang, Yug-Yea; Yu, C.

1994-01-01

An updated version of RESRAD has been developed by Argonne National Laboratory for the US Department of Energy to derive site-specific soil guidelines for residual radioactive material. In this updated version, many new features have been added to the, RESRAD code. One of the options is that a user can input a solubility constant to limit the leaching of contaminants. The leaching model used in the code requires the input of an empirical distribution coefficient, K d , which represents the ratio of the solute concentration in soil to that in solution under equilibrium conditions. This paper describes the methodology developed to estimate an effective distribution coefficient, Kd, from the user-input solubility constant and the use of the effective K d for predicting the leaching of contaminants

Long-range interactions of excited He atoms with ground-state noble-gas atoms

KAUST Repository

Zhang, J.-Y.; Qian, Ying; Schwingenschlö gl, Udo; Yan, Z.-C.

2013-01-01

The dispersion coefficients C6, C8, and C10 for long-range interactions of He(n1,3S) and He(n1,3P), 2≤n≤10, with the ground-state noble-gas atoms Ne, Ar, Kr, and Xe are calculated by summing over the reduced matrix elements of multipole transition

Effective atomic number of dental smalt

International Nuclear Information System (INIS)

Rodas D, J.E.; Nogueira, M.S.

1998-01-01

The effective atomic numbers Z are enough utilized for to characterize the interactions of ionizing radiation with matter. Particularly for the Z calculation in biological tissues and/or composed materials we need to know the relationship between the cross sections of the diverse radiations interactions with mattera and the atomic numbers Z of the constituent elements in the tissue or composed material. Normally the cross section by atom σ 2 is proportional to Z m . The m value depends of the iterative process type and the energy of the incident photons. In the case of the photoelectric interaction, the m vary will vary between 4,698 and 4,799 for energies between 10 to 200 keV. It was verified that constituent elements with high Z (>20) they had a major contribution. The m values for the Compton interation and the coherent scattering were calculated of similar way. Knowing the m values, we calculate the partials Z of a composed material. For the calculation of total Z, we can use alternatives starting from the equivalent atomic number corresponding to the total cross section σ d tot, mc of the composed material. In this work for the calculation of Z values corresponding to diverse interations, we applied a linear regression at the values of Ln σ a x LnZ for different energies. In general, to characterize a simulator material of a tissue or composed material we need to know the total Z in function of the photon energy applied to dental smalt increases until some hundreds of keV the partial values of Z owing to photoelectric effect and the coherent scattering this is owing to the smalt has a great concentration of elements with high Z. (Author)

16. Hot dense plasma atomic processes

International Nuclear Information System (INIS)

Werner, Dappen; Totsuji, H.; Nishii, Y.

2002-01-01

This document gathers 13 articles whose common feature is to deal with atomic processes in hot plasmas. Density functional molecular dynamics method is applied to the hydrogen plasma in the domain of liquid metallic hydrogen. The effects of the density gradient are taken into account in both the electronic kinetic energy and the exchange energy and it is shown that they almost cancel with each other, extending the applicability of the Thomas-Fermi-Dirac approximation to the cases where the density gradient is not negligible. Another article reports about space and time resolved M-shell X-ray measurements of a laser-produced gas jet xenon plasma. Plasma parameters have been measured by ion acoustic and electron plasma waves Thomson scattering. Photo-ionization becomes a dominant atomic process when the density and the temperature of plasmas are relatively low and when the plasma is submitted to intense external radiation. It is shown that 2 plasmas which have a very different density but have the same ionization parameters, are found in a similar ionization state. Most radiation hydrodynamics codes use radiative opacity data from available libraries of atomic data. Several articles are focused on the determination of one group Rosseland and Planck mean analytical formulas for several single elements used in inertial fusion targets. In another paper the plasma density effect on population densities, effective ionization, recombination rate coefficients and on emission lines from carbon and Al ions in hot dense plasma, is studied. The last article is devoted to a new atomic model in plasmas that considers the occupation probability of the bound state and free state density in the presence of the plasma micro-field. (A.C.)

Effect of local atomic and electronic structures on thermoelectric properties of chemically substituted CoSi

Science.gov (United States)

Hsu, C. C.; Pao, C. W.; Chen, J. L.; Chen, C. L.; Dong, C. L.; Liu, Y. S.; Lee, J. F.; Chan, T. S.; Chang, C. L.; Kuo, Y. K.; Lue, C. S.

2014-05-01

We report the effects of Ge partial substitution for Si on local atomic and electronic structures of thermoelectric materials in binary compound cobalt monosilicides (\\text{CoSi}_{1-x}\\text{Ge}_{x}\\text{:}\\ 0 \\le x \\le 0.15 ). Correlations between local atomic/electronic structure and thermoelectric properties are investigated by means of X-ray absorption spectroscopy. The spectroscopic results indicate that as Ge is partially substituted onto Si sites at x \\le 0.05 , Co in CoSi1-xGex gains a certain amount of charge in its 3d orbitals. Contrarily, upon further replacing Si with Ge at x \\ge 0.05 , the Co 3d orbitals start to lose some of their charge. Notably, thermopower is strongly correlated with charge redistribution in the Co 3d orbital, and the observed charge transfer between Ge and Co is responsible for the variation of Co 3d occupancy number. In addition to Seebeck coefficient, which can be modified by tailoring the Co 3d states, local lattice disorder may also be beneficial in enhancing the thermoelectric properties. Extended X-ray absorption fine structure spectrum results further demonstrate that the lattice phonons can be enhanced by Ge doping, which results in the formation of the disordered Co-Co pair. Improvements in the thermoelectric properties are interpreted based on the variation of local atomic and electronic structure induced by lattice distortion through chemical substitution.

Nitrogen ion implantation effect on friction coefficient of tool steel

International Nuclear Information System (INIS)

Velichko, N.I.; Udovenko, V.F.; Markus, A.M.; Presnyakova, G.N.; Gamulya, G.D.

1988-01-01

Effect of nitrogen molecular ion implantation into KhVSG steel on the friction coefficient in the air and vacuum is investigated. Irradiation is carried out by the N 2 + beam with energy 120 keV and flux density 5 μ/cm 2 at room temperature in vacuum 5x10 -4 Pa. The integral dose of irradiation is 10 17 particle/cm 2 . Nitrogen ion implantation is shown to provide the formation of the modified layer changing friction properties of steel. The friction coefficient can either increase or decrease depending on implantation and test conditions. 4 refs.; 2 figs

De Haas-van Alphen effect of a two-dimensional ultracold atomic gas

Science.gov (United States)

Farias, B.; Furtado, C.

2016-01-01

In this paper, we show how the ultracold atom analogue of the two-dimensional de Haas-van Alphen effect in electronic condensed matter systems can be induced by optical fields in a neutral atomic system. The interaction between the suitable spatially varying laser fields and tripod-type trapped atoms generates a synthetic magnetic field which leads the particles to organize themselves in Landau levels. Initially, with the atomic gas in a regime of lowest Landau level, we display the oscillatory behaviour of the atomic energy and its derivative with respect to the effective magnetic field (B) as a function of 1/B. Furthermore, we estimate the area of the Fermi circle of the two-dimensional atomic gas.

Effect of temperature on atom-atom collision chain length in metals

International Nuclear Information System (INIS)

Makarov, A.A.; Demkin, N.A.; Lyashchenko, B.G.

1981-01-01

Focused atom-atom collision chain lengths are calculated for fcc-crystals with account of thermal oscillations. The model of solid spheres with the Born-Merier potential has been used in the calculations. The dependence of chain lengths on the temperature, energy and movement direction of the first chain atom for Cu, Au, Ag, Pb, Ni is considered. The plot presented shows that the chain lengths strongly decrease with temperature growth, for example, for the gold at T=100 K the chain length equals up to 37 interatomic spacings, whereas at T=1000 K their length decreases down to 5 interatomic distances. The dependence of the energy loss by the chain atoms on the atom number in the chain is obtained in a wide range of crystal temperature and the primary chain atom energy [ru

Measurement of the x-ray mass attenuation coefficient and determination of the imaginary component of the atomic form factor of molybdenum over the 13.5-41.5-keV energy range

International Nuclear Information System (INIS)

Jonge, Martin D. de; Tran, Chanh Q.; Chantler, Christopher T.; Barnea, Zwi; Dhal, Bipin B.; Cookson, David J.; Lee, Wah-Keat; Mashayekhi, Ali

2005-01-01

We use the x-ray extended-range technique (XERT) [Chantler et al., Phys. Rev. A 64, 062506 (2001)] to measure the mass attenuation coefficients of molybdenum in the x-ray energy range of 13.5-41.5 keV to 0.02-0.15 % accuracy. Measurements made over an extended range of the measurement parameter space are critically examined to identify, quantify, and correct where necessary a number of experimental systematic errors. These results represent the most extensive experimental data set for molybdenum and include absolute mass attenuation coefficients in the regions of the x-ray absorption fine structure (XAFS) and x-ray-absorption near-edge structure (XANES). The imaginary component of the atomic form-factor f 2 is derived from the photoelectric absorption after subtracting calculated Rayleigh and Compton scattering cross sections from the total attenuation. Comparison of the result with tabulations of calculated photoelectric absorption coefficients indicates that differences of 1-15 % persist between the calculated and observed values

Electron excitation coefficients of neutral and ionic levels of krypton in Townsend discharges

International Nuclear Information System (INIS)

Malovic, G.N.; Strinic, A.I.; Petrovic, Z.Lj.; Sadeghi, N.

2006-01-01

In this paper, we present experimental results for excitation coefficients of krypton atoms to several Kr and Kr + excited levels for E/N (electric field to gas particle number density ratio usually in units of Townsend, 1 Td = 10 -21 V m 2 ) values from 7 x 10 -20 V m 2 to above 1 x 10 -17 V m 2 . The data have been obtained in two different parallel plate self-sustained Townsend discharge drift tubes. The spatial distribution of the emission intensities were recorded and then normalized to give excitation coefficients at the anode, by using the electron flux at this point. The values of these coefficients are placed on an absolute scale by using a standard tungsten ribbon lamp calibrated against a primary blackbody radiation standard. The ionization rates at different E/N are obtained from the spatial emission profiles. The data for atomic krypton levels 2p 2 , 2p 3 , 2p 5 , 2p 6 , 2p 7 , 2p 8 , 3p 5 and 3p 6 (in Paschen notation) were converted to excitation coefficients by using quenching coefficients from the literature. The emission coefficients of eight 4s 2 4p 4 ( 3 P)5p levels of Kr + have also been measured for E/N values from about 1 x 10 -18 V m 2 up to nearly 8 x 10 -18 V m 2

Relativistic effects in atomic inner-shell transitions

International Nuclear Information System (INIS)

Chen, M.H.

1982-01-01

Theoretical calculations of atomic inner-shell transition rates based on independent-particle models are reviewed. Factors affecting inner-shell transition rates are examined, particularly the effects of relativity. 48 references, 5 figures

Effective atomic numbers of some tissue substitutes by different methods: A comparative study

Directory of Open Access Journals (Sweden)

Vishwanath P Singh

2014-01-01

Full Text Available Effective atomic numbers of some human organ tissue substitutes such as polyethylene terephthalate, red articulation wax, paraffin 1, paraffin 2, bolus, pitch, polyphenylene sulfide, polysulfone, polyvinylchloride, and modeling clay have been calculated by four different methods like Auto-Z eff, direct, interpolation, and power law. It was found that the effective atomic numbers computed by Auto-Z eff , direct and interpolation methods were in good agreement for intermediate energy region (0.1 MeV < E < 5 MeV where the Compton interaction dominates. A large difference in effective atomic numbers by direct method and Auto-Z eff was observed in photo-electric and pair-production regions. Effective atomic numbers computed by power law were found to be close to direct method in photo-electric absorption region. The Auto-Z eff , direct and interpolation methods were found to be in good agreement for computation of effective atomic numbers in intermediate energy region (100 keV < E < 10 MeV. The direct method was found to be appropriate method for computation of effective atomic numbers in photo-electric region (10 keV < E < 100 keV. The tissue equivalence of the tissue substitutes is possible to represent by any method for computation of effective atomic number mentioned in the present study. An accurate estimation of Rayleigh scattering is required to eliminate effect of molecular, chemical, or crystalline environment of the atom for estimation of gamma interaction parameters.

Electron Transport Coefficients and Effective Ionization Coefficients in SF6-O2 and SF6-Air Mixtures Using Boltzmann Analysis

Science.gov (United States)

Wei, Linsheng; Xu, Min; Yuan, Dingkun; Zhang, Yafang; Hu, Zhaoji; Tan, Zhihong

2014-10-01

The electron drift velocity, electron energy distribution function (EEDF), density-normalized effective ionization coefficient and density-normalized longitudinal diffusion velocity are calculated in SF6-O2 and SF6-Air mixtures. The experimental results from a pulsed Townsend discharge are plotted for comparison with the numerical results. The reduced field strength varies from 40 Td to 500 Td (1 Townsend=10-17 V·cm2) and the SF6 concentration ranges from 10% to 100%. A Boltzmann equation associated with the two-term spherical harmonic expansion approximation is utilized to gain the swarm parameters in steady-state Townsend. Results show that the accuracy of the Boltzmann solution with a two-term expansion in calculating the electron drift velocity, electron energy distribution function, and density-normalized effective ionization coefficient is acceptable. The effective ionization coefficient presents a distinct relationship with the SF6 content in the mixtures. Moreover, the E/Ncr values in SF6-Air mixtures are higher than those in SF6-O2 mixtures and the calculated value E/Ncr in SF6-O2 and SF6-Air mixtures is lower than the measured value in SF6-N2. Parametric studies conducted on these parameters using the Boltzmann analysis offer substantial insight into the plasma physics, as well as a basis to explore the ozone generation process.

Atom-surface potentials and atom interferometry

International Nuclear Information System (INIS)

Babb, J.F.

1998-01-01

Long-range atom-surface potentials characterize the physics of many actual systems and are now measurable spectroscopically in deflection of atomic beams in cavities or in reflection of atoms in atomic fountains. For a ground state, spherically symmetric atom the potential varies as -1/R 3 near the wall, where R is the atom-surface distance. For asymptotically large distances the potential is weaker and goes as -1/R 4 due to retardation arising from the finite speed of light. This diminished interaction can also be interpreted as a Casimir effect. The possibility of measuring atom-surface potentials using atomic interferometry is explored. The particular cases studied are the interactions of a ground-state alkali-metal atom and a dielectric or a conducting wall. Accurate descriptions of atom-surface potentials in theories of evanescent-wave atomic mirrors and evanescent wave-guided atoms are also discussed. (author)

Calculation of photon attenuation coefficients of elements and compounds from approximate semi-analytical formulae

International Nuclear Information System (INIS)

Roteta, M.; Baro, J.; Fernandez-Varea, J.M.; Salvat, F.

1994-01-01

The FORTRAN 77 code PHOTAC to compute photon attenuation coefficients of elements and compounds is described. The code is based on the semi-analytical approximate atomic cross sections proposed by Baro et al. (1994). Photoelectric cross sections are calculated directly from a simple analytical expression. Atomic cross sections for coherent and incoherent scattering and for pair production are obtained as integrals of the corresponding differential cross sections. These integrals are evaluated, to a pre-selected accuracy, by using a 20-point Gauss adaptive integration algorithm. Calculated attenuation coefficients agree with recently compiled databases to within equal 1%, in the energy range from 1 KeV to 1 GeV. The complete source listing of the program PHOTAC is included

Molar extinction coefficients of some fatty acids

DEFF Research Database (Denmark)

Sandhu, G.K.; Singh, K.; Lark, B.S.

2002-01-01

) and stearic acid (C18H36O2), has been measured at the photon energies 81, 356, 511, 662, 1173 and 1332 keV. Experimental values for the molar extinction coefficient, the effective atomic number and the electron density have been derived and compared with theoretical calculations. There is good agreement......The attenuation of gamma rays in some fatty acids, viz. formic acid (CH2O2), acetic acid (C2H4O2), propionic acid (C3H6O2), butyric acid (C4H8O2), n-hexanoic acid (C6H12O2), n-caprylic acid (C8H16O2), lauric acid (C12H24O2), myristic acid (C14H28O2), palmitic acid (C16H32O2), oleic acid (C18H34O2...

Long-range interactions of excited He atoms with ground-state noble-gas atoms

KAUST Repository

Zhang, J.-Y.

2013-10-09

The dispersion coefficients C6, C8, and C10 for long-range interactions of He(n1,3S) and He(n1,3P), 2≤n≤10, with the ground-state noble-gas atoms Ne, Ar, Kr, and Xe are calculated by summing over the reduced matrix elements of multipole transition operators. The large-n expansions for the sums over the He oscillator strength divided by the corresponding transition energy are presented for these series. Using the expansions, the C6 coefficients for the systems involving He(131,3S) and He(131,3P) are calculated and found to be in good agreement with directly calculated values.

Effective diffusion coefficients of /sup 3/H/sub 2/O in several porous materials

Energy Technology Data Exchange (ETDEWEB)

Terashima, Y [Kyoto Univ. (Japan). Faculty of Engineering; Kumaki, T

1976-12-01

Diffusion coefficients of radionuclides in some porous structural materials and porous components of earth stratum are important as the basis for the safety evaluation of the storage and disposal of radioactive wastes. In our previous works, the method of analysis and experiment using a permeative type diffusion cell for measurement of effective diffusion coefficient was established, and experimental results were reported. In this paper, effective diffusion coefficients of /sup 3/H/sub 2/O in mortar, concrete, brick, clay layer, and sand layer were measured, and characteristics of these pore structure were discussed on the basis of tourtusity factor.

Effect of atomic disorder on the magnetic phase separation

Science.gov (United States)

Groshev, A. G.; Arzhnikov, A. K.

2018-05-01

The effect of disorder on the magnetic phase separation between the antiferromagnetic and incommensurate helical and phases is investigated. The study is based on the quasi-two-dimensional single-band Hubbard model in the presence of atomic disorder (the Anderson–Hubbard model). A model of binary alloy disorder is considered, in which the disorder is determined by the difference in energy between the host and impurity atomic levels at a fixed impurity concentration. The problem is solved within the theory of functional integration in static approximation. Magnetic phase diagrams are obtained as functions of the temperature, the number of electrons and impurity concentration with allowance for phase separation. It is shown that for the model parameters chosen, the disorder caused by impurities whose atomic-level energy is greater than that of the host atomic levels, leads to qualitative changes in the phase diagram of the impurity-free system. In the opposite case, only quantitative changes occur. The peculiarities of the effect of disorder on the phase separation regions of the quasi-two-dimensional Hubbard model are discussed.

Atomic processes in high temperature plasmas

International Nuclear Information System (INIS)

Hahn, Y.

1991-07-01

This is the final report on the project Atomic Processes in High Temperature Plasmas', which has been completed in June 30, 1991. The original contract started in 1978. The dielectronic recombination (DR) rate coefficients were calculated for ions with the number of electrons N = 1, 2, 3, 4, 5, 10, 11, and 12. The result was then used to construct a new and improved rate formula. Other important resonant processes, which are closely related to DR, were also studied to interpret experiments and to test the DR theory. The plasma field and the density effects on the rate coefficients was found to be important, and a consistent correction procedure is being developed. The available data on the DR rates and their accuracy do not yet fully meet the requirement for plasma modeling; there are serious gaps in the available data, and the currently adopted theoretical procedure needs improvements. Critical assessment of the current status of the DR problem is presented, and possible future work needed is summarized

Atomic and molecular effects in the VUV spectra of solids

International Nuclear Information System (INIS)

Sonntag, B.

1977-10-01

The VUV spectra of solids are often dominated by atomic or molecular effects, which clearly manifest themselves in the gross features of the spectra and the fine structure at inner shell excitation thresholds. Evidence for the influence of atomic and molecular matrix elements, multiplet-splitting and correlation is presented. Special emphasis is given to the direct experimental verification based on the comparison of atomic and solid state spectra. (orig.) [de

Atomic interaction with quantum fluid clusters: cross-jet deflection of 3He- and 4He-clusters

International Nuclear Information System (INIS)

Gspann, J.; Vollmar, H.

1977-01-01

The authors have studied earlier the velocity dependence of the total scattering of Cs atomic beams by 4 He-cluster beams, in comparison with corresponding experiments with N 2 - and Ne-cluster beams. Only with the 4 He-cluster beams a deficiency in the effective total scattering compared to the expected behaviour has been observed which was largest near 200 m/s of relative velocity. However, it is difficult to estimate, and therefore still a matter of investigation, to which extent this effect could be attributed to the presence of a small amount of uncondensed helium atoms in the cluster beam. In this paper a first account is given on an experimental study of the drag coefficients in free molecular flow of helium clusters of either isotope. The drag coefficients describe the respective efficiencies of linear momentum transfer onto the clusters and are found to be appreciably lower for helium than for nitrogen clusters which is ascribed to the fluidity of the helium clusters. (Auth.)

Destructive Interference in Coherent Backscattering of Light by an Ensemble of Cold Atoms

International Nuclear Information System (INIS)

Kupriyanov, D.V.; Larionov, N.V.; Sokolov, I.M.; Havey, M.D.

2005-01-01

The coherent backscattering of light by an ensemble of cold atoms located in a magneto-optical trap is investigated theoretically. The dependence of the gain coefficient on the probe frequency is analyzed in a wide spectral range covering the entire hyperfine structure of the excited state. The calculation is performed for 85 Rb atoms. It is found that destructive interference can be observed at certain frequencies, which results in gain coefficients smaller than unity. The angular distribution of scattered light is investigated for corresponding frequencies and the dependence of the shape of the cone of destructive interference on the size of the atomic cloud and its optical thickness is analyzed

Analytical dependence of effective atomic number on the elemental composition of matter and radiation energy in the range 10-1000 keV

Science.gov (United States)

Eritenko, A. N.; Tsvetiansky, A. L.; Polev, A. A.

2018-01-01

In the present paper, a universal analytical dependence of effective atomic number on the composition of matter and radiation energy is proposed. This enables one to consider the case of a strong difference in the elemental composition with respect to their atomic numbers over a wide energy range. The contribution of photoelectric absorption and incoherent and coherent scattering during the interaction between radiation and matter is considered. For energy values over 40 keV, the contribution of coherent scattering does not exceed approximately 10% that can be neglected at a further consideration. The effective atomic numbers calculated on the basis of the proposed relationships are compared to the results of calculations based on other methods considered by different authors on the basis of experimental and tabulated data on mass and atomic attenuation coefficients. The examination is carried out for both single-element (e.g., 6C, 14Si, 28Cu, 56Ba, and 82Pb) and multi-element materials. Calculations are performed for W1-xCux alloys (x = 0.35; x = 0.4), PbO, ther moluminescent dosimetry compounds (56Ba, 48Cd, 41Sr, 20Ca, 12Mg, and 11Na), and SO4 in a wide energy range. A case with radiation energy between the K- and L1-absorption edges is considered for 82Pb, 74W, 56Ba, 48Cd, and 38Sr. This enables to substantially simplify the calculation of the atomic number and will be useful in technical and scientific fields related to the interaction between X-ray/gamma radiation and matter.

Probabilistic Teleportation of an Arbitrary Two-Atom State in Cavity QED

Institute of Scientific and Technical Information of China (English)

LIU Jin-Ming

2007-01-01

We propose a scheme for the teleportation of an arbitrary two-atom state by using two pairs of two-atom nonmaximally entangled states as the quantum channel in cavity QED.It is shown that no matter whether the arbitrary two-atom pure state to be teleported is entangled or not,our teleportation scheme can always be probabilistically realized.The success probability of teleportation is determined by the smaller coefficients of the two initially entangled atom pairs.

Experimental investigation of atomization characteristics of swirling spray by ADN gelled propellant

Science.gov (United States)

Guan, Hao-Sen; Li, Guo-Xiu; Zhang, Nai-Yuan

2018-03-01

Due to the current global energy shortage and increasingly serious environmental issues, green propellants are attracting more attention. In particular, the ammonium dinitramide (ADN)-based monopropellant thruster is gaining world-wide attention as a green, non-polluting and high specific impulse propellant. Gel propellants combine the advantages of liquid and solid propellants, and are becoming popular in the field of spaceflight. In this paper, a swirling atomization experimental study was carried out using an ADN aqueous gel propellant under different injection pressures. A high-speed camera and a Malvern laser particle size analyzer were used to study the spray process. The flow coefficient, cone angle of swirl atomizing spray, breakup length of spray membrane, and droplet size distribution were analyzed. Furthermore, the effects of different injection pressures on the swirling atomization characteristics were studied.

Discharge Coefficient of Rectangular Short-Crested Weir with Varying Slope Coefficients

Directory of Open Access Journals (Sweden)

Yuejun Chen

2018-02-01

Full Text Available Rectangular short-crested weirs are widely used for simple structure and high discharge capacity. As one of the most important and influential factors of discharge capacity, side slope can improve the hydraulic characteristics of weirs at special conditions. In order to systemically study the effects of upstream and downstream slope coefficients S1 and S2 on overflow discharge coefficient in a rectangular short-crested weir the Volume of Fluid (VOF method and the Renormalization Group (RNG κ-ε turbulence model are used. In this study, the slope coefficient ranges from V to 3H:1V and each model corresponds to five total energy heads of H0 ranging from 8.0 to 24.0 cm. Comparisons of discharge coefficients and free surface profiles between simulated and laboratory results display a good agreement. The simulated results show that the difference of discharge coefficients will decrease with upstream slopes and increase with downstream slopes as H0 increases. For a given H0, the discharge coefficient has a convex parabolic relation with S1 and a piecewise linearity relation with S2. The maximum discharge coefficient is always obtained at S2 = 0.8. There exists a difference between upstream and downstream slope coefficients in the influence range of free surface curvatures. Furthermore, a proposed discharge coefficient equation by nonlinear regression is a function of upstream and downstream slope coefficients.

Constraints on both the quadratic and quartic symmetry energy coefficients by 2β --decay energies

Science.gov (United States)

Wan, Niu; Xu, Chang; Ren, Zhongzhou; Liu, Jie

2018-05-01

In this Rapid Communication, the 2 β- -decay energies Q (2 β-) given in the atomic mass evaluation are used to extract not only the quadratic volume symmetry energy coefficient csymv, but also the quartic one csym,4 v. Based on the modified Bethe-Weizsäcker nuclear mass formula of the liquid-drop model, the decay energy Q (2 β-) is found to be closely related to both the quadratic and quartic symmetry energy coefficients csymv and csym,4 v. There are totally 449 data of decay energies Q (2 β-) used in the present analysis where the candidate nuclei are carefully chosen by fulfilling the following criteria: (1) large neutron-proton number difference N -Z , (2) large isospin asymmetry I , and (3) limited shell effect. The values of csymv and csym,4 v are extracted to be 29.345 and 3.634 MeV, respectively. Moreover, the quadratic surface-volume symmetry energy coefficient ratio is determined to be κ =csyms/csymv=1.356 .

Time-dependent formulation of the many-electron problem in atoms; Zeitabhaengige Formulierung des Mehr-Elektronen-Problems in Atomen

Energy Technology Data Exchange (ETDEWEB)

Rosenberger, Martina

1997-05-15

Method development of the time-dependent numerical MCSCF and CI method for atoms, without and with inclusion of an oscillating electric field, linearly polarized (electric dipole approximation for light). In the CI method, the numerical orbitals are kept fixed (not time-dependent), and only the CI coefficients are propagated, whereas in the MCSCF method both the CI coefficients and the numerical orbitals in the CSFs are propagated. The basis for this work were the non-relativistic numerical atomic structure codes for free atoms and for atoms in a static electric field developed at Bielefeld. (orig.)

Wavefunction effects in inner shell ionization of light atoms by protons

International Nuclear Information System (INIS)

Aashamar, K.; Amundsen, P.A.

An efficient computer code for calculating the impact parameter distribution of atomic ionization probabilities caused by charged particle impact, has been developed. The programme is based on the semiclassical approximation, and it allows the use of an arbitrary atomic central potential for deriving the one-electron orbitals that form the basis for the description of the atomic states. Extensive calculations are reported for proton induced K-shell ionization in carbon and neon, covering energies in the range 0.1-10 MeV. Some calculations on proton-argon L-shell ionization are also reported. Comparison of the results obtained using (screened) hydrogenic potentials and the recently reported energy- optimized effective atomic central potentials, respectively demonstrates that wavefunction effects are generally important for inner-shell ionization of light atoms. The agreement between theory and experiment in the K-shell case is improved for fast collisions upon using better wavefunctions. (Auth.)

Research of fuel temperature control in fuel pipeline of diesel engine using positive temperature coefficient material

Directory of Open Access Journals (Sweden)

Xiaolu Li

2016-01-01

Full Text Available As fuel temperature increases, both its viscosity and surface tension decrease, and this is helpful to improve fuel atomization and then better combustion and emission performances of engine. Based on the self-regulated temperature property of positive temperature coefficient material, this article used a positive temperature coefficient material as electric heating element to heat diesel fuel in fuel pipeline of diesel engine. A kind of BaTiO3-based positive temperature coefficient material, with the Curie temperature of 230°C and rated voltage of 24 V, was developed, and its micrograph and element compositions were also analyzed. By the fuel pipeline wrapped in six positive temperature coefficient ceramics, its resistivity–temperature and heating characteristics were tested on a fuel pump bench. The experiments showed that in this installation, the surface temperature of six positive temperature coefficient ceramics rose to the equilibrium temperature only for 100 s at rated voltage. In rated power supply for six positive temperature coefficient ceramics, the temperature of injection fuel improved for 21°C–27°C within 100 s, and then could keep constant. Using positive temperature coefficient material to heat diesel in fuel pipeline of diesel engine, the injection mass per cycle had little change, approximately 0.3%/°C. This study provides a beneficial reference for improving atomization of high-viscosity liquids by employing positive temperature coefficient material without any control methods.

Proceedings of the NASA workshop on atomic oxygen effects

International Nuclear Information System (INIS)

Brinza, D.E.

1987-06-01

A workshop was held to address the scientific issues concerning the effects of atomic oxygen on materials in the low Earth orbital (LEO) environment. The program included 18 invited speakers plus contributed posters covering topics such as LEO spaceflight experiments, interaction mechanisms, and atomic oxygen source development. Discussion sessions were also held to organize a test program to evaluate atomic oxygen exposure facilities. The key issues raised in the workshop were: (1) the need to develop a reliable predictive model of the effects of long-term exposure of materials to the LEO environment; (2) the ability of ground-based exposure facilities to provide useful data for development of durable materials; and (3) accurate determination of the composition of the LEO environment. These proceedings include the invited papers, the abstracts for the contributed posters, and an account of the test program discussion sessions

Change in Biot's effective stress coefficient of chalk during pore collapse

DEFF Research Database (Denmark)

Alam, M. Monzurul; Fabricius, Ida Lykke

2013-01-01

the grains could also change during elastic deformation of the grains in a rock mechanics test. Diagenetic change in grain contact cement of chalk can be compared with stress-induced change in the laboratory. The change in porosity is studied with reference to the change in effective stress on grain contacts...... and porosity reduces at a slower rate. We noticed that presence of non carbonates and hydrocarbon could increase σ'm. During rock mechanics test in the lab, with increased applied stress, σ'm increases, Biot's effective stress coefficient shows a decreasing trend, while a minor porosity reduction was observed......Biot's effective stress coefficient (α) is a measure of how well grains in the rocks are connected with each other. The amount of contact cements between the grains determines the stiffness of rocks. Change in grain contact occurs during natural diagenesis of sedimentary rock. Contact between...

Path-integral theory of the scattering of 4He atoms at the surface of liquid 4He

International Nuclear Information System (INIS)

Swanson, D.R.; Edwards, D.O.

1988-01-01

The path-integral theory of the scattering of a 4 He atom near the free surface of liquid 4 He, which was originally formulated by Echenique and Pendry, has been recalculated with use of a physically realistic static potential and atom-ripplon interaction outside the liquid. The static potential and atom-ripplon interaction are based on the variational calculation of Edwards and Fatouros. An important assumption in the path-integral theory is the ''impulse approximation'': that the motion of the scattered atom is very fast compared with the motion of the surface due to ripplons. This is found to be true only for ripplons with wave vectors smaller than q/sub m/∼0.2 A/sup -1/. If ripplons above q/sub m/ made an important contribution to the scattering of the atom there would be a substantial dependence of the elastic reflection coefficient on the angle of incidence of the atom. Since this is not observed experimentally, it is argued that ripplons above q/sub m/ give a negligible effect and should be excluded from the calculation. With this modification the theory gives a good fit to the experimental reflection coefficient as a function of the momentum and angle of incidence of the atom. The new version of the theory indicates that there is a substantial probability that an atom may reach the surface of the liquid without exciting any ripplons. The theory is not valid when the atom enters the liquid but analysis of the experiments shows that, once inside the liquid, the atom has a negligible chance of being scattered out again

Effect of reorientation of anisotropic point defects on relaxation of crystal elastic coefficients of high order

International Nuclear Information System (INIS)

Topchyan, I.I.; Dokhner, R.D.

1977-01-01

The effect of reorientation of anisotropic point defects in uniform fields of elastic stresses on the relaxation of the elastic coefficients of a crystal was investigated in the nonlinear elasticity theory approximation. In calculating the interaction of point defects with elastic-stress fields was taken into consideration. The expression for the relaxations of the elasticity coefficients are obtained in an analytical form. The relaxation of the second-order elasticity coefficients is due to the dimentional interaction of a point defect with an applied-stress field, whereas the relaxation of the higher-order elasticity coefficients is determined both by dimentional and module effects

Effect of flow rate on the adsorption coefficient of radioactive krypton on activated carbon

International Nuclear Information System (INIS)

Sun, L.S.C.; Underhill, D.W.

1981-01-01

For some time, there have been questions relative to the effect of carrier gas velocity on the adsorption coefficient for radioactive noble gases on activated charcoal. Resolution of these questions is particularly important in terms of developing standard procedures for determining such coefficients under laboratory conditions. Studies at the Harvard Air Cleaning Laboratory appear to confirm that the adsorption coefficient for radioactive krypton on activated charcoal is independent of the velocity of the carrier gas

X-ray absorption in atomic potassium

International Nuclear Information System (INIS)

Gomilsek, Jana Padeznik; Kodre, Alojz; Arcon, Iztok; Nemanic, Vincenc

2008-01-01

A new high-temperature absorption cell for potassium vapor is described. X-ray absorption coefficient of atomic potassium is determined in the energy interval of 600 eV above the K edge where thresholds for simultaneous excitations of 1s and outer electrons, down to [1s2p] excitation, appear. The result represents also the atomic absorption background for XAFS (X-ray absorption fine structure) structure analysis. The K ionization energy in the potassium vapor is determined and compared with theoretical data and with the value for the metal

Effects of Defects on Hydrogen Diffusion in NbC

Energy Technology Data Exchange (ETDEWEB)

Salehinia, Iman, E-mail: isalehinia@niu.edu [Department of Mechanical Engineering, Northern Illinois University, DeKalb, IL 60115 (United States); Mastorakos, Ioannis [Department of Mechanical and Aeronautical Engineering, Clarkson University, Potsdam, NY 13699 (United States); Zbib, Hussein M. [School of Mechanical and Materials Engineering, Washington State University, Pullman, WA 99164 (United States)

2017-04-15

Highlights: • MD simulations are used to study the effects of defects on the H diffusion in NbC. • Buckingham potential is more accurate for diffusion of H atoms than LJ potential. • H diffusion coefficient (D) increases with carbon vacancy concentration. • H diffusion coefficient for 6 Å pore (radius = 6 Å) is as high as that for 20 Å pore. • For small pores, H diffusion coefficient drops notably at elevated temperatures. - Abstract: Exceptional mechanical and physical properties of transition metal carbides and nitrides make them good coating-material candidates for extreme corrosive environments such as oil and natural gas wells. However, existence of small pores, pinholes and columnar structures of these ceramics significantly affect their resistance to corrosion, as pore sites would accelerate the diffusion of corrosive media into the substrate. In this research, molecular dynamics atomistic simulations are employed to investigate the effects of the isolated vacancies and the columnar structure on the diffusion rate of H atoms in NbC single crystal at various temperatures. Diffusion coefficient (D) of H atoms in NbC increased with C vacancy concentration. At elevated temperatures, the trapping effect of Nb vacancies is less effective when C vacancies are also present, as H atoms gain enough energy to jump back and forth between the C vacancies. Atomistic simulations also showed a jump in diffusion coefficient for cylindrical pore size of larger than 3 Å radius. Furthermore, D increased monotonically with temperature up to 1000 K in the presence of cylindrical pores. Further increase in temperature resulted in a drop in the diffusion coefficient for small pores while the large pores only showed a lower increasing trend in diffusion coefficient with the temperature.

Nuclear electric dipole moment with relativistic effects in Xe and Hg atoms

International Nuclear Information System (INIS)

Oshima, Sachiko; Fujita, Takehisa; Asaga, Tomoko

2007-01-01

The atomic electric dipole moment (EDM) is evaluated by considering the relativistic effects as well as nuclear finite size effects in Xe and Hg atomic systems. Due to Schiff's theorem, the first order perturbation energy of EDM is canceled out by the second order perturbation energy for the point nucleus. The nuclear finite size effects arising from the intermediate atomic excitations may be finite for deformed nucleus but it is extremely small. The finite size contribution of the intermediate nuclear excitations in the second order perturbation energy is completely canceled by the third order perturbation energy. As the results, the finite contribution to the atomic EDM comes from the first order perturbation energy of relativistic effects, and it amounts to around 0.3 and 0.4 percents of the neutron EDM d n for Xe and Hg, respectively, though the calculations are carried out with a simplified single-particle nuclear model. From this relation in Hg atomic system, we can extract the neutron EDM which is found to be just comparable with the direct neutron EDM measurement

Determination of trace amounts of cadmium in sea water by a flameless atomic absorption method

International Nuclear Information System (INIS)

Yamazoe, Seigo; Oshima, Shozo

1975-01-01

Determination of trace amounts of cadmium in sea water has been developed by a flameless atomic absorption method using a carbon rod atomizer. Sea water is diluted with isopropyl alcohol and the white salt formed is removed by filtration, then the filtrate is fed to the instrument as a sample for measurement. A complete separation of the salt is not needed in this pre-treatment. The effect of the residual salt can be avoided by separating the atomic absorption of cadmium and the molecular absorption of the residual salt by means of controlling the temperature and the time of ashing and atomization of the sample in the carbon rod. The repeatability and the accuracy are 2.0--8.5% in the coefficient of variation and 0.8--5.3% respectively. (auth.)

Atom-Pair Kinetics with Strong Electric-Dipole Interactions.

Science.gov (United States)

Thaicharoen, N; Gonçalves, L F; Raithel, G

2016-05-27

Rydberg-atom ensembles are switched from a weakly to a strongly interacting regime via adiabatic transformation of the atoms from an approximately nonpolar into a highly dipolar quantum state. The resultant electric dipole-dipole forces are probed using a device akin to a field ion microscope. Ion imaging and pair-correlation analysis reveal the kinetics of the interacting atoms. Dumbbell-shaped pair-correlation images demonstrate the anisotropy of the binary dipolar force. The dipolar C_{3} coefficient, derived from the time dependence of the images, agrees with the value calculated from the permanent electric-dipole moment of the atoms. The results indicate many-body dynamics akin to disorder-induced heating in strongly coupled particle systems.

Strong coupling effects between a meta-atom and MIM nanocavity

Directory of Open Access Journals (Sweden)

San Chen

2012-09-01

Full Text Available In this paper, we investigate the strong coupling effects between a meta-atom and a metal-insulator-metal (MIM nanocavity. By changing the meta-atom sizes, we achieve the meta-atomic electric dipole, quadrupole or multipole interaction with the plasmonic nanocavity, in which characteristic anticrossing behaviors demonstrate the occurrence of the strong coupling. The various interactions present obviously different splitting values and behaviors of dependence on the meta-atomic position. The largest Rabi-type splittings, about 360.0 meV and 306.1 meV, have been obtained for electric dipole and quadrupole interaction, respectively. We attribute the large splitting to the highly-confined cavity mode and the large transition dipole of the meta-atom. Also the Rabi-type oscillation in time domain is given.

Effect of retardation coefficient for radionuclide migration on assessment results of environmental impact

International Nuclear Information System (INIS)

Wang Zhiming

2004-01-01

Environmental impact report is an important content in enforcing environmental impact assessment system. Effect of retardation coefficient used in models of radionuclide migration in geological media on the calculated results of maximum concentration of calculated points at the lower reaches is discussed in this paper. It is shown from experimental results that the retardation coefficient is not a constant. And it is shown from calculated results that retardation coefficient obviously affect the calculated results of maximum concentration of calculated point at the lower reaches. Conservation level of the assessment results would considerably be affected, and hence confidence level of results would be affected if the aspects are not paid enough attention and solved. The paper suggests that retardation coefficient used in migration models should directly be obtained by measurement in the field or in column, rather than using the result derived from distribution coefficients according to some formula in order to prevent the nonconservative results

Dose conversion coefficients calculated using a series of adult Japanese voxel phantoms against external photon exposure

International Nuclear Information System (INIS)

Sato, Kaoru; Endo, Akira; Saito, Kimiaki

2008-10-01

This report presents a complete set of conversion coefficients of organ doses and effective doses calculated for external photon exposure using five Japanese adult voxel phantoms developed at the Japan Atomic Energy Agency (JAEA). At the JAEA, high-resolution Japanese voxel phantoms have been developed to clarify the variation of organ doses due to the anatomical characteristics of Japanese, and three male phantoms (JM, JM2 and Otoko) and two female phantoms (JF and Onago) have been constructed up to now. The conversion coefficients of organ doses and effective doses for the five voxel phantoms have been calculated for six kinds of idealized irradiation geometries from monoenergetic photons ranging from 0.01 to 10 MeV using EGS4, a Monte Carlo code for the simulation of coupled electron-photon transport. The dose conversion coefficients are given as absorbed dose and effective dose per unit air-kerma free-in-air, and are presented in tables and figures. The calculated dose conversion coefficients are compared with those of voxel phantoms based on the Caucasian and the recommended values in ICRP74 in order to discuss (1) variation of organ dose due to the body size and individual anatomy, such as position and shape of organs, and (2) effect of posture on organ doses. The present report provides valuable data to study the influence of the body characteristics of Japanese upon the organ doses and to discuss developing reference Japanese and Asian phantoms. (author)

Effective ionization coefficient of C5 perfluorinated ketone and its mixtures with air

Science.gov (United States)

Aints, Märt; Jõgi, Indrek; Laan, Matti; Paris, Peeter; Raud, Jüri

2018-04-01

C5 perfluorinated ketone (C5 PFK with UIPAC chemical name 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)-2-butanone and sold by 3M as Novec™ 5110) has a high dielectric strength and a low global warming potential, which makes it interesting as an insulating gas in medium and high-voltage applications. The study was carried out to determine the effective Townsend ionization coefficient α eff as a function of electric field strength and gas density for C5 PFK and for its mixtures with air. The non-self-sustained Townsend discharge between parallel plate electrodes was initiated by illuminating the cathode by UV radiation. The discharge current, I, was measured as a function of inter-electrode distance, d, at different gas densities, N, and electric field strengths, E. The effective ionization coefficient α eff was determined from the semi-logarithmic plots of I/I 0 against d. For each tested gas mixture, the density normalized effective ionization coefficient α eff/N was found to be a unique function of reduced electric field strength E/N. The measurements were carried out in the absolute pressure range of 0.05-1.3 bar and E/N range of 150-1200 Td. The increasing fraction of C5 PFK in air resulted in the decrease of effective ionization coefficient. The limiting electric field strength (E/N)lim where the effective ionization coefficient α eff became zero was 770 Td (190 kV cm-1 at 1 bar) for pure C5 PFK and decreased to 225 Td (78 kV cm-1 at 1.4 bar) for 7.6% C5 PFK/air mixture. The latter value of (E/N)lim is still more than two times higher than the (E/N)lim value of synthetic air and about two-thirds of the value corresponding to pure SF6. The investigated gas mixtures have the potential to become an alternative to SF6 in numerous high- and medium-voltage applications.

Measurement of effective atomic number of composite materials using scattering of γ-rays

International Nuclear Information System (INIS)

Singh, M.P.; Sandhu, B.S.; Singh, Bhajan

2007-01-01

In the present experiment, to determine the effective atomic number of composite materials, the scattering of 145 keV γ-rays is studied using a high-resolution HPGe semiconductor detector placed at 70 deg. to the incident beam. The experiment is performed on various elements of different atomic number, 6≤Z≤64, for 145 keV incident photons. The intensity ratio of Rayleigh to Compton scattered peaks, corrected for photo-peak efficiency of the γ-detector and absorption of photons in the target and air, is plotted as a function of atomic number and constituted a fit curve. From this fit curve, the respective effective atomic numbers of the composite materials are determined. The agreement of measured values of effective atomic number with the theory is found to be quite satisfactory

Graphical comparison of calculated internal conversion coefficients

International Nuclear Information System (INIS)

Ewbank, W.B.

1980-11-01

Calculated values of the coefficients of internal conversion of gamma rays in the K shell and L 1 , L 2 , L 3 subshells from published tabulations by Band and Trzhaskovskaya and by Roesel et al. at Data Nucl. Data Tables, 21, 92-514(1978) are compared with values obtained by computer interpolation among tabulated values of Hager and Seltzer Nucl. Data, A4, 1-235(1968). In some cases, agreement among the three calculations is remarkably good, and differences are generally less than 5%. In a few cases, there are differences as large as 20 to 50%, corresponding to the threshold effect described by Roesel et al. The Z-dependent resonance minimum described by Roesel et al. is also observed in the comparison of E1-E4 conversion in the L 1 subshell. In several cases (notably M1-M4 conversion in the K shell and L 1 subshell), the Band and Roesel calculations show dramatically different dependence on gamma energy and atomic number. For Z = 100, the Band calculation for E4 conversion in the L 3 subshell shows irregular behavior at energies below the K-shell binding energy. A few high-quality measurements of internal conversion coefficients (+-5%) would help greatly to establish a basis for choice among the theoretical calculations. 32 figures

Electron capture in collisions of S4+ with atomic hydrogen

Science.gov (United States)

Stancil, P. C.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Zygelman, B.

2001-06-01

Charge transfer processes due to collisions of ground state S4+(3s2 1S) ions with atomic hydrogen are investigated for energies between 1 meV u-1 and 10 MeV u-1 using the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially stripped S3+ excited classical states. Hydrogen target isotope effects are explored and rate coefficients for temperatures between 100 and 106 K are also presented.

Determination of trace elements in atomic absorption spectrophotometry. Study of the atomic cloud and atom generator. Application to the measurement of physical quantities

International Nuclear Information System (INIS)

Hircq, Bernard.

1976-06-01

After the description of the absorption cell the principal parameters are studied: argon flow rate in the cell, atomization temperature, cell geometry etc. The technique is applied to the measurement of impurities in uranium after deposition on a carbon filament. The atomic concentration distribution and the dimensions of the cloud generated by a graphite filament are then studied along the axes parallel to the filament and as a function of the various experimental parameters. From the determination of the cloud elevation rate it is possible to calculate the absolute atomic concentration, which allows certain physical quantities to be evaluated: oscillator force, Lorentz Widening, diffusion coefficient... The size and penetration depth of the deposit are then determined with an ionic microprobe and the distribution with a Castaing microprobe. The chemical transformations undergone by the uranium matrix during the heat cycles are studied by the X-ray method [fr

Effective stresses and shear failure pressure from in situ Biot's coefficient, Hejre Field, North Sea

DEFF Research Database (Denmark)

Regel, Jeppe Bendix; Orozova-Bekkevold, Ivanka; Andreassen, Katrine Alling

2017-01-01

, is significantly different from 1. The log-derived Biot's coefficient is above 0.8 in the Shetland Chalk Group and in the Tyne Group, and 0.6-0.8 in the Heno Sandstone Formation. We show that the effective vertical and horizontal stresses obtained using the log-derived Biot's coefficient result in a drilling......We propose a combination of Biot's equations for effective stress and the expression for shear failure in a rock to obtain an expression for minimum pore pressure in a stable vertical well bore. We show that a Biot's coefficient calculated from logging data in the Hejre Field, North Sea...

Effect of the refraction factor of a plastic fiber shell on the internal reflection coefficient

International Nuclear Information System (INIS)

Pkrksypkin, A.I.; Ponomarev, L.I.

1992-01-01

Results of pilot studies of the effect of refraction factor of plastic fiber shell on the coefficient of light internal reflection in the fiber are presented. It is pointed, that the shell does not absorb the light, but effects the surface layer of the fiber centre so, that dependence of the coefficient of internal reflection on refraction factor of the shell may be described using Fresnel formulae. It is shown, that coefficient of internal reflection decreases with the increase of refraction factor. Technique to determine volume length of scintillation light absorption in the fiber is suggested

Prediction of air-to-blood partition coefficients of volatile organic compounds using genetic algorithm and artificial neural network

International Nuclear Information System (INIS)

Konoz, Elahe; Golmohammadi, Hassan

2008-01-01

An artificial neural network (ANN) was constructed and trained for the prediction of air-to-blood partition coefficients of volatile organic compounds. The inputs of this neural network are theoretically derived descriptors that were chosen by genetic algorithm (GA) and multiple linear regression (MLR) features selection techniques. These descriptors are: R maximal autocorrelation of lag 1 weighted by atomic Sanderson electronegativities (R1E+), electron density on the most negative atom in molecule (EDNA), maximum partial charge for C atom (MXPCC), surface weighted charge partial surface area (WNSA1), fractional charge partial surface area (FNSA2) and atomic charge weighted partial positive surface area (PPSA3). The standard errors of training, test and validation sets for the ANN model are 0.095, 0.148 and 0.120, respectively. Result obtained showed that nonlinear model can simulate the relationship between structural descriptors and the partition coefficients of the molecules in data set accurately

Experimental studies by complementary terahertz techniques and semi-classical calculations of N2- broadening coefficients of CH335Cl

International Nuclear Information System (INIS)

Guinet, M.; Rohart, F.; Buldyreva, J.; Gupta, V.; Eliet, S.; Motiyenko, R.A.; Margulès, L.; Cuisset, A.; Hindle, F.; Mouret, G.

2012-01-01

Room-temperature N 2 -broadening coefficients of methyl chloride rotational lines are measured over a large interval of quantum numbers (6≤J≤50, 0≤K≤18) by a submillimeter frequency-multiplication chain (J≤31) and a terahertz photomixing continuous-wave spectrometer (J≥31). In order to check the accuracy of both techniques, the measurements of identical lines are compared for J=31. The pressure broadening coefficients are deduced from line fits using mainly a Voigt profile model. The excellent signal-to-noise ratio of the frequency-multiplication scheme highlights some speed dependence effect on the line shape. Theoretical values of these coefficients are calculated by a semi-classical approach with exact trajectories. An intermolecular potential including atom-atom interactions is used for the first time. It is shown that, contrary to the previous theoretical predictions, the contributions of short-range forces are important for all values of the rotational quantum numbers. Additional testing of modifications required in the semi-classical formalism for a correct application of the cumulant expansion is also performed. It is stated that the use of the cumulant average on the rotational states of the perturbing molecule leads, for high J and small K values, to slightly higher line-broadening coefficients, as expected for the relatively strong interacting CH 3 Cl-N 2 system. The excellent agreement between the theoretical and the experimental results ensures the reliability of these data.

Experimental studies by complementary terahertz techniques and semi-classical calculations of N2- broadening coefficients of CH335Cl

Science.gov (United States)

Guinet, M.; Rohart, F.; Buldyreva, J.; Gupta, V.; Eliet, S.; Motiyenko, R. A.; Margulès, L.; Cuisset, A.; Hindle, F.; Mouret, G.

2012-07-01

Room-temperature N2-broadening coefficients of methyl chloride rotational lines are measured over a large interval of quantum numbers (6≤J≤50, 0≤K≤18) by a submillimeter frequency-multiplication chain (J≤31) and a terahertz photomixing continuous-wave spectrometer (J≥31). In order to check the accuracy of both techniques, the measurements of identical lines are compared for J=31. The pressure broadening coefficients are deduced from line fits using mainly a Voigt profile model. The excellent signal-to-noise ratio of the frequency-multiplication scheme highlights some speed dependence effect on the line shape. Theoretical values of these coefficients are calculated by a semi-classical approach with exact trajectories. An intermolecular potential including atom-atom interactions is used for the first time. It is shown that, contrary to the previous theoretical predictions, the contributions of short-range forces are important for all values of the rotational quantum numbers. Additional testing of modifications required in the semi-classical formalism for a correct application of the cumulant expansion is also performed. It is stated that the use of the cumulant average on the rotational states of the perturbing molecule leads, for high J and small K values, to slightly higher line-broadening coefficients, as expected for the relatively strong interacting CH3Cl-N2 system. The excellent agreement between the theoretical and the experimental results ensures the reliability of these data.

Nanoscale effects in interdiffusion

International Nuclear Information System (INIS)

Erdelyi, Z.; Langer, G.A.; Beke, D.L.; Csik, A.

2007-01-01

Complete text of publication follows. Diffusion on the nano/atomic scales in multilayers, thin films has many challenging features even if the role of structural defects can be neglected and 'only' the effects related to the nano/atomic scale raise. The most basic equations to describe the diffusion are Fick's equations. It is important to emphasize that the diffusion coefficient in Fick's equations is in general composition independent and Fick's classical equations do not include the stress effects, which can have important influence onto the diffusion especially on the nano/atomic scale. We illustrate that the continuum descriptions of the diffusion cannot be applied automatically on such short distances, the classical continuum approximations (Fick's laws) cannot describe correctly the atomic movements. They predict faster kinetics than the atomistic models and the interface shift is always proportional to the square root of the time. However, the kinetics can be even linear on the nano/atomic scale. We have shown from computer simulations that Fick's laws violate on the nanoscale either in completely or restricted miscible systems. This is strongly related to the discrete character of the system on the nanoscale and to the highly neglected fact in the literature that the diffusion coefficients depend on the composition. As will be seen the composition dependence of D is very important and has very significant influence on the diffusion kinetics on the nano/atomic scales. It originates from the fact that usually the diffusion coefficients are different in an A and in a B matrix. Consequently in case of a real interface, which is not atomically sharp, i.e. there is a more or less intermixed region between the pure A and B matrixes, the diffusion coefficient changes continuously while e.g. an A atom diffuses from the pure A matrix into the pure B. This feature can be also called diffusion asymmetry. We have also illustrated that in this case not only the

Ozone depletion, greenhouse effect and atomic energy

International Nuclear Information System (INIS)

Adzersen, K.H.

1991-01-01

After describing the causes and effects of ozone depletion and the greenhouse effect, the author discusses the alternative offered by the nuclear industry. In his opinion, a worldwide energy strategy of risk minimisation will not be possible unless efficient energy use is introduced immediately, efficiently and on a reliable basis. Atomic energy is not viewed as an acceptable means of preventing the threatening climate change. (DG) [de

The Hall coefficient: a tool for characterizing graphene field effect transistors

International Nuclear Information System (INIS)

Wehrfritz, Peter; Seyller, Thomas

2014-01-01

Graphene field effect transistors are considered as a candidate for future high-frequency applications. For their realization, the optimal combination of substrate, graphene preparation, and insulator deposition and composition is required. This optimization must be based on an in-depth characterization of the obtained graphene insulator metal (GIM) stack. Hall effect measurements are frequently employed to study such systems, thereby focussing primarily on the charge carrier mobility. In this work we show how an analysis of the sheet Hall coefficient can reveal further important properties of the GIM stack, like, e.g., the interface trap density and the spacial charge inhomogeneity. To that end, we provide an extensive description of the GIM diode, which leads to an accurate calculation of the sheet Hall coefficient dependent on temperature and gate voltage. The gate dependent inverse sheet Hall coefficient is discussed in detail before we introduce the concept of an equivalent temperature, which is a measure of the spacial charge inhomogeneity. In order to test the concept, we apply it to evaluate already measured Hall data taken from the literature. This evaluation allows us to determine the Drude mobility, even at the charge neutrality point, which is inaccessible with a simple one band Hall mobility analysis, and to shed light on the spacial charge inhomogeneity. The formalism is easily adaptable and provides experimentalists a powerful tool for the characterization of their graphene field effect devices. (paper)

Atomic absorption spectrometry using tungsten and molybdenum tubes as metal atomizer

International Nuclear Information System (INIS)

Kaneco, Satoshi; Katsumata, Hideyuki; Ohta, Kiyohisa; Suzuki, Tohru

2007-01-01

We have developed a metal tube atomizer for the electrothermal atomization atomic absorption spectrometry (ETA-AAS). Tungsten, molybdenum, platinum tube atomizers were used as the metal atomizer for ETA-AAS. The atomization characteristics of various metals using these metal tube atomizers were investigated. The effects of heating rate of atomizer, atomization temperature, pyrolysis temperature, argon purge gas flow rate and hydrogen addition on the atomic absorption signal were investigated for the evaluation of atomization characteristics. Moreover, ETA-AAS with metal tube atomizer has been combined with the slurry-sampling techniques. Ultrasonic slurry-sampling ETA-AAS with metal tube atomizer were effective for the determination of trace metal elements in biological materials, calcium drug samples, herbal medicine samples, vegetable samples and fish samples. Furthermore, a preconcentration method of trace metals involving adsorption on a metal wire has been applied to ETA-AAS with metal tube atomizer. (author)

Chromium effect on the Young modulus and thermoelastic coefficient of elinvars

International Nuclear Information System (INIS)

Sazykina, A.V.; Khomenko, O.A.

1976-01-01

The effect was studied of thermal and thermal-mechanical treatment upon the elastic modules and its temperature coefficient in iron-nickel Elinvars with different chromium contents (from 0 to 6.7%). It has been shown that doping with chromium results in an increase in the modulus of elasticity of Elinvars after hardening. The elastic modulus of alloys containing no chromium increases after a cold plastic deformation (drawing), whereas that of chromous Elinvars decreases upon such a treatment. It has been established that the elastic modulus of hardened and cold drawn after hardening Elinvars increases upon ageing. An increase in chromium content in iron-nickel Elinvars reduces the effect of the temperature of ageing upon the thermoelastic coefficient during the usual heat treatment and the thermalmechanical treatment and lowers its sensitivity to the influence of an external magnetic field [ru

Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr

KAUST Repository

Zhang, J.-Y.; Babb, J. F.; Mitroy, J.; Sadeghpour, H. R.; Schwingenschlö gl, Udo; Yan, Z.-C.

2013-01-01

Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.

Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr

KAUST Repository

Zhang, J.-Y.

2013-04-05

Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.

Statistical electron correlation coefficients for the five lowest states of the heliumlike ions

International Nuclear Information System (INIS)

Thakkar, A.J.; Smith, V.H. Jr.

1981-01-01

Statistical correlation coefficients were introduced by Kutzelnigg, Del Re, and Berthier to provide overall measures of the difference between the electron pair density and the product of one-electron densities in atoms and molecules. Some properties of these coefficients are discussed, and it is shown that an angular correlation coefficient is experimentally accessible. Radial and angular correlation coefficients are computed from highly accurate wave functions for the 1 1 S, 2 3 S, 2 1 S, 2 3 P, and 2 1 P states of the heliumlike ions from He through Mg 10+ . It is found that positive angular correlation coefficients occur in the 2 1 P state of the two-electron positive ions but not in neutral helium. Moreover, the angular correlation coefficients for the 2 1 S and 2 3 S states of the positively charged two-electron ions show that a previously proposed reformulation of Hund's rule is incorrect

Dependence of tracer diffusion on atomic size in amorphous Ni-Zr

International Nuclear Information System (INIS)

Hahn, H.; Averback, R.S.

1988-01-01

Tracer diffusion coefficients for several impurities and Ni self-atoms were measured in amorphous (a-) Ni/sub 50/Zr/sub 50/ at 573 K using secondary-ion-mass spectroscopy, Rutherford backscattering, and radioactive tracer methods. The results showed that atomic mobility in the a-Ni-Zr alloy depends strongly on atomic size, decreasing rapidly with increasing atomic radius. This diffusion behavior is similar to that in α-Zr and α-Ti and is suggestive of an interstitial-like mechanism of diffusion. The consequences of these results for solid-state amorphization transformations are discussed

Electron-impact ionization of atomic ions: Theoretical results

Energy Technology Data Exchange (ETDEWEB)

Loch, S D; Burgos, J M Munoz; Ballance, C P; Ludlow, J; Lee, T-G; Fogle, M; Pindzola, M S [Auburn University, Auburn, AL 36849 (United States); Griffin, D C [Rollins College, Winter Park, FL 32789 (United States); Yumak, A; Yavuz, I; Altun, Z, E-mail: loch@physics.auburn.ed [Marmara University, Istanbul (Turkey)

2009-11-15

A brief overview is given of theoretical results for electron-impact ionization of atoms and ions. A description is given of the main theoretical methods, along with the databases where the data are archived. It is shown that for light species, ground and metastable ionization cross sections are in reasonable agreement with experiment when non-perturbative data are used for the near neutrals and distorted wave data are used for ions greater than a few times ionized. Some discrepancies between theory and experiment still remain for systems with open d and open p subshells. The sensitivity of ionization rate coefficients to the near threshold part of the ionization cross section is shown. The role of excited states in effective ionization rate coefficients is demonstrated and recent excited state ionization cross section results for H, He, He{sup +}, B{sup 2+} and Ne are presented.

Effect of inelastic energy losses on development of atom-atom collision cascades

International Nuclear Information System (INIS)

Marinyuk, V.V.; Remizovich, V.S.

2001-01-01

The problem of influence of inelastic energy losses (ionization braking) of particles on the development of atom-atom collision cascades in infinite medium was studied theoretically. Main attention was paid to study of angular and energy distributions of primary ions and cascade atoms in the presence of braking. Analytical calculations were made in the assumption that single scattering of particles occurs by solid balls law, while the value of electron braking ability of a medium is determined by the Lindhard formula. It is shown that account of braking (directly when solving the Boltzmann transport equation) changes in principle the previously obtained angular and energy spectra of ions and cascade atoms. Moreover, it is the braking that is the determining factor responsible for anisotropy of angular distributions of low-energy primary ions and cascade atoms [ru

Collective effects in isolated atoms (many-body aspects of photoionization process)

International Nuclear Information System (INIS)

Amusia, M.Y.

1983-01-01

This chapter examines outer and intermediate many-electron shells and demonstrates that photoionization is of collective nature because in the atomic reaction to the external electromagnetic field at least all electrons of the ionized subshell take part. Performs the calculation of complex atom photoionization using random phase approximation with exchange (RPAE). Explains that in RPAE the ionization amplitude is presented as a sum of two terms, describing the direct knock-out and the induced one which is connected with a variation of the self-consistent field, caused by polarization of atomic shells under the action of the external field. Discusses collective effects in outer shells; deviation from RPAE prediction in outer shells; excitations ''two electrons-two holes'' and autoionizing states; collective effects in inner shells; and bremsstrahlung. Observes a large number of many-particle effects which manifest themselves practically in all atomic processes. Finds that by correcting and improving the one-electron approximation it becomes possible even in its frame to include much of what seems to be many-electron corrections

Is H Atom Abstraction Important in the Reaction of Cl with 1-Alkenes?

Science.gov (United States)

Walavalkar, M P; Vijayakumar, S; Sharma, A; Rajakumar, B; Dhanya, S

2016-06-23

The relative yields of products of the reaction of Cl atoms with 1-alkenes (C4-C9) were determined to see whether H atom abstraction is an important channel and if it is to identify the preferred position of abstraction. The presence of all the possible positional isomers of long chain alkenones and alkenols among the products, along with chloroketones and chloroalcohols, confirms the occurrence of H atom abstraction. A consistent pattern of distribution of abstraction products is observed with oxidation at C4 (next to allyl) being the lowest and that at CH2 groups away from the double bond being the highest. This contradicts with the higher stability of allyl (C3) radical. For a better understanding of the relative reactivity, ab initio calculations at MP2/6-311+G (d,p) level of theory are carried out in the case of 1-heptene. The total rate coefficient, calculated using conventional transition state theory, was found to be in good agreement with the experimental value at room temperature. The preferred position of Cl atom addition is predicted to be the terminal carbon atom, which matches with the experimental observation, whereas the rate coefficients calculated for individual channels of H atom abstraction do not explain the observed pattern of products. The distribution of abstraction products except at C4 is found to be better explained by reported structure activity relationship, developed from experimental rate coefficient data. This implies the reactions to be kinetically dictated and emphasizes the importance of secondary reactions.

Modeling and optimizing of the random atomic spin gyroscope drift based on the atomic spin gyroscope

Energy Technology Data Exchange (ETDEWEB)

Quan, Wei; Lv, Lin, E-mail: lvlinlch1990@163.com; Liu, Baiqi [School of Instrument Science and Opto-Electronics Engineering, Beihang University, Beijing 100191 (China)

2014-11-15

In order to improve the atom spin gyroscope's operational accuracy and compensate the random error caused by the nonlinear and weak-stability characteristic of the random atomic spin gyroscope (ASG) drift, the hybrid random drift error model based on autoregressive (AR) and genetic programming (GP) + genetic algorithm (GA) technique is established. The time series of random ASG drift is taken as the study object. The time series of random ASG drift is acquired by analyzing and preprocessing the measured data of ASG. The linear section model is established based on AR technique. After that, the nonlinear section model is built based on GP technique and GA is used to optimize the coefficients of the mathematic expression acquired by GP in order to obtain a more accurate model. The simulation result indicates that this hybrid model can effectively reflect the characteristics of the ASG's random drift. The square error of the ASG's random drift is reduced by 92.40%. Comparing with the AR technique and the GP + GA technique, the random drift is reduced by 9.34% and 5.06%, respectively. The hybrid modeling method can effectively compensate the ASG's random drift and improve the stability of the system.

Nonclassical Effects of a Four-Level Excited-Doublet Atom Model

International Nuclear Information System (INIS)

Zhang Jiansong; Xu Jingbo

2006-01-01

We adopt a dynamical algebraic method to study a four-level excited-doublet atom model and obtain the explicit expressions of the time-evolution operator and the density operator for the system. The nonclassical effects of the system, such as collapses and revivals of the atomic inversion and squeezing of the radiation field, are also discussed.

Cold atomic gas in the inner Galaxy

International Nuclear Information System (INIS)

Garwood, R.W.; Dickey, J.M.

1989-01-01

A new set of 21 cm H I absorption spectra were obtained toward 21 compact continuum sources in the Galactic plane is presented. The 21 cm line velocity-averaged absorption coefficient as a function of Galactocentric distance is calculated. The result for distances within 2 kpc of the sun agrees with the local value found from absorption toward pulsars of 5-7 km/s/kpc. Overall, the absorption coefficient decreases to about half of its local value inside a Galactocentric radius of about 4 kpc. This decrease is shown to be primarily due to an increase in the mean line-of-sight distance between absorbing atomic clouds. Thus, the cool phase of the atomic gas is less abundant in the inner Galaxy than at the solar circle. The absorption spectra are similar in appearance to existing (C-12)O spectra. The spectral regions which show H I absorption also show CO emission. 43 references

Phonon lineshapes in atom-surface scattering

Energy Technology Data Exchange (ETDEWEB)

MartInez-Casado, R [Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Sanz, A S; Miret-Artes, S [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones CientIficas, Serrano 123, E-28006 Madrid (Spain)

2010-08-04

Phonon lineshapes in atom-surface scattering are obtained from a simple stochastic model based on the so-called Caldeira-Leggett Hamiltonian. In this single-bath model, the excited phonon resulting from a creation or annihilation event is coupled to a thermal bath consisting of an infinite number of harmonic oscillators, namely the bath phonons. The diagonalization of the corresponding Hamiltonian leads to a renormalization of the phonon frequencies in terms of the phonon friction or damping coefficient. Moreover, when there are adsorbates on the surface, this single-bath model can be extended to a two-bath model accounting for the effect induced by the adsorbates on the phonon lineshapes as well as their corresponding lineshapes.

Dielectronic recombination rate coefficients of initially rubidium-like tungsten

International Nuclear Information System (INIS)

Wu, Z.; Zhang, Y.; Fu, Y.; Dong, C.; Surzhykov, A.; Fritzsche, S.

2015-01-01

Dielectric recombination (DR) is a dominant electron recombination process in plasmas. Tungsten ions are expected to be prominent impurities in fusion plasmas so the knowledge of DR rate coefficient of tungsten ions is important to model fusion plasmas. Ab initio calculations of DR rate coefficients of initially rubidium-like W 37+ ions have been performed for the electron temperatures from 1 eV to 5*10 4 eV, by using the Flexible Atomic Code based on the relativistic configuration-interaction method. Special attention has been paid to the partial contributions to total DR rate coefficients as associated with the excitation of individual subshells. A detailed comparison of the calculations shows that the excitation from 4p subshell dominates total DR rate coefficients followed by the excitations from 4s and 4d subshells, while the contribution of excitations from 3l (l = s, p, d) subshells becomes important only at high temperatures. Besides, it is found that the electron excitations associated with Δn = 0, 1 dominate at low-temperature plasmas, however, the excitations associated with Δn ≥ 2 become non-negligible at high-temperature ones

International bulletin on atomic and molecular data for fusion. No. 25

International Nuclear Information System (INIS)

Katsonis, K.

1984-06-01

This bulletin deals with atomic and molecular data for fusion. A bibliography for the most recent data presented in the document is provided. Work in progress is also briefly reported (Collision strengths and recombination coefficients for ions of C,N,O; Reactions between ions and atomic hydrogen; Cross sections for electron impact ionisation of Ne + , Ti + and Ni + ions)

Transport coefficients in high-temperature ionized air flows with electronic excitation

Science.gov (United States)

Istomin, V. A.; Oblapenko, G. P.

2018-01-01

Transport coefficients are studied in high-temperature ionized air mixtures using the modified Chapman-Enskog method. The 11-component mixture N2/N2+/N /N+/O2/O2+/O /O+/N O /N O+/e- , taking into account the rotational and vibrational degrees of freedom of molecules and electronic degrees of freedom of both atomic and molecular species, is considered. Using the PAINeT software package, developed by the authors of the paper, in wide temperature range calculations of the thermal conductivity, thermal diffusion, diffusion, and shear viscosity coefficients for an equilibrium ionized air mixture and non-equilibrium flow conditions for mixture compositions, characteristic of those in shock tube experiments and re-entry conditions, are performed. For the equilibrium air case, the computed transport coefficients are compared to those obtained using simplified kinetic theory algorithms. It is shown that neglecting electronic excitation leads to a significant underestimation of the thermal conductivity coefficient at temperatures higher than 25 000 K. For non-equilibrium test cases, it is shown that the thermal diffusion coefficients of neutral species and the self-diffusion coefficients of all species are strongly affected by the mixture composition, while the thermal conductivity coefficient is most strongly influenced by the degree of ionization of the flow. Neglecting electronic excitation causes noticeable underestimation of the thermal conductivity coefficient at temperatures higher than 20 000 K.

The atomic data assessment meeting, Abingdon, March 1992

International Nuclear Information System (INIS)

Lang, J.

1994-01-01

The available theoretical data for the electron excitation of atoms and positive ions were reviewed at an assessment meeting held in Abingdon in March 1992. The need for such a meeting both to follow earlier meetings and in view of the forthcoming ESA/NASA SOHO mission is described. The scope of the meeting, its objectives, and the division of tasks among the participants are detailed. To preclude needless repetition in the individual review articles, terms such as collision strength, effective collision strength, and rate coefficient are defined. Discussion points that arose frequently throughout the meeting are summarized. 15 refs., 2 tabs

Properties of the triplet metastable states of the alkaline-earth-metal atoms

International Nuclear Information System (INIS)

Mitroy, J.; Bromley, M.W.J.

2004-01-01

The static and dynamic properties of the alkaline-earth-metal atoms in their metastable state are computed in a configuration interaction approach with a semiempirical model potential for the core. Among the properties determined are the scalar and tensor polarizabilities, the quadrupole moment, some of the oscillator strengths, and the dispersion coefficients of the van der Waals interaction. A simple method for including the effect of the core on the dispersion parameters is described

Interdiffusion and atomic mobility studies in Ni-rich fcc Ni−Al−Mn alloys

International Nuclear Information System (INIS)

Cheng, Kaiming; Liu, Dandan; Zhang, Lijun; Du, Yong; Liu, Shuhong; Tang, Chengying

2013-01-01

Highlights: •The interdiffusion coefficients of fcc Ni–Al–Mn alloys are experimentally determined. •The atomic mobilities of fcc Ni–Al–Mn alloys have been assessed. •The calculated results agree well with the present experimental diffusivities. •The mobility parameters obtained can be used to predict many diffusion phenomena. -- Abstract: By employing nine groups of bulk diffusion couples together with electron probe microanalysis technique, the composition dependence of ternary interdiffusion coefficients in Ni-rich fcc Ni−Al−Mn alloys at 1373 K was determined via the Matano–Kirkaldy method. The experimental interdiffusion coefficients were critically assessed to obtain the atomic mobilities of Ni, Al and Mn in fcc Ni−Al−Mn alloys by using the DICTRA (DIffusion-Controlled TRAnsformations) software package. The reliability of these mobilities was validated by comprehensive comparison between the model-predicted diffusion properties and the experimental data. The obtained atomic mobilities could be used to describe various diffusion phenomena in fcc Ni–Al–Mn alloys, such as the concentration profiles, interdiffusion flux and diffusion paths

Long-range dispersion interactions. I. Formalism for two heteronuclear atoms

International Nuclear Information System (INIS)

Zhang, J.-Y.; Mitroy, J.

2007-01-01

A general procedure for systematically evaluating the long-range dispersion interaction between two heteronuclear atoms in arbitrary states is outlined. The C 6 dispersion parameter can always be written in terms of sum rules involving oscillator strengths only and formulas for a number of symmetry cases are given. The dispersion coefficients for excited alkali-metal atoms interacting with the ground-state H and He are tabulated

Atom-atom collision cascades localization

International Nuclear Information System (INIS)

Kirsanov, V.V.

1980-01-01

The presence of an impurity and thermal vibration influence on the atom-atom collision cascade development is analysed by the computer simulation method (the modificated dynamic model). It is discovered that the relatively low energetic cascades are localized with the temperature increase of an irradiated crystal. On the basis of the given effect the mechanism of splitting of the high energetic cascades into subcascades is proposed. It accounts for two factors: the primary knocked atom energy and the irradiated crystal temperature. Introduction of an impurity also localizes the cascades independently from the impurity atom mass. The cascades localization leads to intensification of the process of annealing in the cascades and reduction of the post-cascade vacancy cluster sizes. (author)

The Effect of Vibration Characteristics on the Atomization Rate in a Micro-Tapered Aperture Atomizer

Directory of Open Access Journals (Sweden)

Qiufeng Yan

2018-03-01

Full Text Available Because little is known about the atomization theory of a micro-tapered aperture atomizer, we investigated the vibration characteristics of this type of atomizer. The atomization mechanism of a micro-tapered aperture atomizer was described, and the atomization rate equation was deduced. As observed via microscopy, the angle of the micro-tapered aperture changes with the applied voltage, which proved the existence of a dynamic cone angle. The forward and reverse atomization rates were measured at various voltages, and the influence of the micro-tapered aperture and its variation on the atomization rate was characterized. The resonance frequency of the piezoelectric vibrator was obtained using a laser vibrometer, and the atomization rates were measured at each resonance frequency. From experiments, we found that the atomization rates at the first five resonance frequencies increased as the working frequency increased. At the fifth resonance frequency (121.1 kHz, the atomization rate was maximized (0.561 mL/min, and at the sixth resonance frequency (148.3 kHz, the atomization rate decreased significantly (0.198 mL/min. The experimental results show that the vibration characteristics of the piezoelectric vibrator have a relatively strong impact on the atomization rate. This research is expected to contribute to the manufacture of micro-tapered aperture atomizers.

The Effect of Vibration Characteristics on the Atomization Rate in a Micro-Tapered Aperture Atomizer.

Science.gov (United States)

Yan, Qiufeng; Zhang, Jianhui; Huang, Jun; Wang, Ying

2018-03-21

Because little is known about the atomization theory of a micro-tapered aperture atomizer, we investigated the vibration characteristics of this type of atomizer. The atomization mechanism of a micro-tapered aperture atomizer was described, and the atomization rate equation was deduced. As observed via microscopy, the angle of the micro-tapered aperture changes with the applied voltage, which proved the existence of a dynamic cone angle. The forward and reverse atomization rates were measured at various voltages, and the influence of the micro-tapered aperture and its variation on the atomization rate was characterized. The resonance frequency of the piezoelectric vibrator was obtained using a laser vibrometer, and the atomization rates were measured at each resonance frequency. From experiments, we found that the atomization rates at the first five resonance frequencies increased as the working frequency increased. At the fifth resonance frequency (121.1 kHz), the atomization rate was maximized (0.561 mL/min), and at the sixth resonance frequency (148.3 kHz), the atomization rate decreased significantly (0.198 mL/min). The experimental results show that the vibration characteristics of the piezoelectric vibrator have a relatively strong impact on the atomization rate. This research is expected to contribute to the manufacture of micro-tapered aperture atomizers.

The Effect of Vibration Characteristics on the Atomization Rate in a Micro-Tapered Aperture Atomizer

OpenAIRE

Qiufeng Yan; Jianhui Zhang; Jun Huang; Ying Wang

2018-01-01

Because little is known about the atomization theory of a micro-tapered aperture atomizer, we investigated the vibration characteristics of this type of atomizer. The atomization mechanism of a micro-tapered aperture atomizer was described, and the atomization rate equation was deduced. As observed via microscopy, the angle of the micro-tapered aperture changes with the applied voltage, which proved the existence of a dynamic cone angle. The forward and reverse atomization rates were measured...

Effect of heavy atoms on photochemically induced dynamic nuclear polarization in liquids

Science.gov (United States)

Okuno, Yusuke; Cavagnero, Silvia

2018-01-01

Given its short hyperpolarization time (∼10-6 s) and mostly non-perturbative nature, photo-chemically induced dynamic nuclear polarization (photo-CIDNP) is a powerful tool for sensitivity enhancement in nuclear magnetic resonance. In this study, we explore the extent of 1H-detected 13C nuclear hyperpolarization that can be gained via photo-CIDNP in the presence of small-molecule additives containing a heavy atom. The underlying rationale for this methodology is the well-known external-heavy-atom (EHA) effect, which leads to significant enhancements in the intersystem-crossing rate of selected photosensitizer dyes from photoexcited singlet to triplet. We exploited the EHA effect upon addition of moderate amounts of halogen-atom-containing cosolutes. The resulting increase in the transient triplet-state population of the photo-CIDNP sensitizer fluorescein resulted in a significant increase in the nuclear hyperpolarization achievable via photo-CIDNP in liquids. We also explored the internal-heavy-atom (IHA) effect, which is mediated by halogen atoms covalently incorporated into the photosensitizer dye. Widely different outcomes were achieved in the case of EHA and IHA, with EHA being largely preferable in terms of net hyperpolarization.

The effect of atoms excited by electron beam on metal evaporation

CERN Document Server

Xie Guo Feng; Ying Chun Tong

2002-01-01

In atomic vapor laser isotope separation (AVLIS), the metal is heated to melt by electron beams. The vapor atoms may be excited by electrons when flying through the electron beam. The excited atoms may be deexcited by inelastic collision during expansion. The electronic energy transfers translational energy. In order to analyse the effect of reaction between atoms and electron beams on vapor physical parameters, such as density, velocity and temperature, direct-simulation Monte Carlo method (DSMC) is used to simulate the 2-D gadolinium evaporation from long and narrow crucible. The simulation results show that the velocity and temperature of vapor increase, and the density decreases

Interference effects on the photoionization cross sections between two neighbouring atoms: nitrogen as an example

International Nuclear Information System (INIS)

Jian-Hua, Wu; Jian-Min, Yuan

2009-01-01

Interference effects on the photoionization cross sections between two neighbouring atoms are considered based on the coherent scattering of the ionized electrons by the two nuclei when their separation is less than or comparable to the de Broglie wave length of the ionized electrons. As an example, the single atomic nitrogen ionization cross section and the total cross sections of two nitrogen atoms with coherently added photoionization amplitudes are calculated from the threshold to about 60 Å (1 Å = 0.1 nm) of the photon energy. The photoionization cross sections of atomic nitrogen are obtained by using the close-coupling R-matrix method. In the calculation 19 states are included. The ionization energy of the atomic nitrogen and the photoionization cross sections agree well with the experimental results. Based on the R-matrix results of atomic nitrogen, the interference effects between two neighbouring nitrogen atoms are obtained. It is shown that the interference effects are considerable when electrons are ionized just above the threshold, even for the separations between the two atoms are larger than two times of the bond length of N 2 molecules. Therefore, in hot and dense samples, effects caused by the coherent interference between the neighbours are expected to be observable for the total photoionization cross sections. (atomic and molecular physics)

Chemical effect on total mass attenuation coefficients of V, Cr, Mn, Co and Ni

International Nuclear Information System (INIS)

Soeguet, Oe.; Colak, S.; Bueyuekkasap, E.; Kuecuekoender, A.

2002-01-01

Detailed interpretation of data obtained from X-ray transmission measurements usually depends on the assumption that the contribution of each element is additive. This assumption yields the mixture rule for X-ray attenuation coefficients which is valid if molecular and chemical effects are negligible. Total mass attenuation coefficients of V, Cr, Mn, Co and Ni in various their compounds was measured. Absorption corrections were carried on data for ligands in the compounds. It was found that V, Cr, Mn, Co and Ni had different total mass attenuation coefficients in the different compounds. Results were compared with theoretical values of HUBBELL and SELTZER. (author)

Temperature effects on diffusion coefficient for 6-gingerol and 6-shogaol in subcritical water extraction

Science.gov (United States)

Ilia Anisa, Nor; Azian, Noor; Sharizan, Mohd; Iwai, Yoshio

2014-04-01

6-gingerol and 6-shogaol are the main constituents as anti-inflammatory or bioactive compounds from zingiber officinale Roscoe. These bioactive compounds have been proven for inflammatory disease, antioxidatives and anticancer. The effect of temperature on diffusion coefficient for 6-gingerol and 6-shogaol were studied in subcritical water extraction. The diffusion coefficient was determined by Fick's second law. By neglecting external mass transfer and solid particle in spherical form, a linear portion of Ln (1-(Ct/Co)) versus time was plotted in determining the diffusion coefficient. 6-gingerol obtained the higher yield at 130°C with diffusion coefficient of 8.582x10-11 m2/s whilst for 6-shogaol, the higher yield and diffusion coefficient at 170°C and 19.417 × 10-11 m2/s.

Atomic and Molecular Data Activities at NIFS in 2009 - 2011

International Nuclear Information System (INIS)

Murakami, I.

2011-01-01

We open and maintain the NIFS atomic and molecular numerical databases. Numbers of data records increase to 476,048 in total (as of Aug. 23, 2011) and mainly new data are added for AMDIS (electron impact ionization, excitation, and recombination cross sections and rate coefficients) and CHART (charge transfer of atom - ion collisions cross sections) during last two years. A collaboration group has started for research on atomic and molecular processes in plasma using the Large Helical Device and we measure visible and extreme ultraviolet spectra of W and rare earth elements. We also organize a collaboration group with atomic physicists from Japanese universities for research on W to study atomic data, spectra and collisional-radiative models for W ions. (author)

Measurement of the effective atomic numbers of compounds with cerium near to the absorption edge

International Nuclear Information System (INIS)

Polat, Recep; Icelli, Orhan

2010-01-01

In order to measure atomic, molecular and electronic cross-section; the effective atomic number, density of electron and absorption jump factor, we have first measured μ t values of compounds which are determined by mixture rule using transmission method. In order to measure experimentally the effective atomic number within absorption jump factors of compounds with Ce, the X-ray source used Am-241 whose gamma rays were stopped at secondary source (Sm), thus producing Kα and Kβ X-ray emission. The most crucial finding in this study is that measurement of the effective atomic number is not appropriate near to the absorption edge and the effective atomic number is affected by near to the absorption edge. The results obtained have been compared with theoretical values.

Solvent friction effects propagate over the entire protein molecule through low-frequency collective modes.

Science.gov (United States)

Moritsugu, Kei; Kidera, Akinori; Smith, Jeremy C

2014-07-24

Protein solvation dynamics has been investigated using atom-dependent Langevin friction coefficients derived directly from molecular dynamics (MD) simulations. To determine the effect of solvation on the atomic friction coefficients, solution and vacuum MD simulations were performed for lysozyme and staphylococcal nuclease and analyzed by Langevin mode analysis. The coefficients thus derived are roughly correlated with the atomic solvent-accessible surface area (ASA), as expected from the fact that friction occurs as the result of collisions with solvent molecules. However, a considerable number of atoms with higher friction coefficients are found inside the core region. Hence, the influence of solvent friction propagates into the protein core. The internal coefficients have large contributions from the low-frequency modes, yielding a simple picture of the surface-to-core long-range damping via solvation governed by collective low-frequency modes. To make use of these findings in implicit-solvent modeling, we compare the all-atom friction results with those obtained using Langevin dynamics (LD) with two empirical representations: the constant-friction and the ASA-dependent (Pastor-Karplus) friction models. The constant-friction model overestimates the core and underestimates the surface damping whereas the ASA-dependent friction model, which damps protein atoms only on the solvent-accessible surface, reproduces well the friction coefficients for both the surface and core regions observed in the explicit-solvent MD simulations. Therefore, in LD simulation, the solvent friction coefficients should be imposed only on the protein surface.

Atomic inner-shell physics

International Nuclear Information System (INIS)

Crasemann, B.

1985-01-01

This book discusses: relativistic and quantum electrodynamic effects on atomic inner shells; relativistic calculation of atomic transition probabilities; many-body effects in energetic atomic transitions; Auger Electron spectrometry of core levels of atoms; experimental evaluation of inner-vacancy level energies for comparison with theory; mechanisms for energy shifts of atomic K-X rays; atomic physics research with synchrotron radiation; investigations of inner-shell states by the electron energy-loss technique at high resolution; coherence effects in electron emission by atoms; inelastic X-ray scattering including resonance phenomena; Rayleigh scattering: elastic photon scattering by bound electrons; electron-atom bremsstrahlung; X-ray and bremsstrahlung production in nuclear reactions; positron production in heavy-ion collisions, and X-ray processes in heavy-ion collisions

Translational motion of an atom in a weakly driven fiber-Bragg-grating cavity

International Nuclear Information System (INIS)

Kien, Fam Le; Hakuta, K

2012-01-01

We study the translational motion of an atom in the vicinity of a weakly driven nanofiber with two fiber-Bragg-grating mirrors. We find that the spatial dependences of the force, the friction coefficients and the momentum diffusion are very complicated due to the evanescent-wave nature of the atom–field coupling as well as the effect of the van der Waals potential. We show that the time development of the mean number of photons in the cavity closely follows the translational motion of the atom through the nodes and antinodes of the fiber-guided cavity standing-wave field even though the cavity finesse is moderate, the cavity is long and the probe field is weak

Atomic mobility in the overheated amorphous GeTe compound for phase change memories

International Nuclear Information System (INIS)

Sosso, G.C.; Behler, J.; Bernasconi, M.

2016-01-01

Abstractauthoren Phase change memories rest on the ability of some chalcogenide alloys to undergo a fast and reversible transition between the crystalline and amorphous phases upon Joule heating. The fast crystallization is due to a high nucleation rate and a large crystal growth velocity which are actually possible thanks to the fragility of the supercooled liquid that allows for the persistence of a high atomic mobility at high supercooling where the thermodynamical driving force for crystallization is also high. Since crystallization in the devices occurs by rapidly heating the amorphous phase, hysteretic effects might arise with a different diffusion coefficient and viscosity on heating than on cooling. In this work, we have quantified these hysteretic effects in the phase change compound GeTe by means of molecular dynamics simulations. The atomic mobility in the overheated amorphous phase is lower than in supercooled liquid at the same temperature and the viscosity is consequently higher. Still, the simulations of the overheated amorphous phase reveal a breakdown of the Stokes-Einstein relation between the diffusion coefficient and the viscosity, similarly to what we found previously in the supercooled liquid. Evidences are provided that the breakdown is due to the emergence of dynamical heterogeneities at high supercooling. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Hadronic atoms and ticklish nuclei: the E2 nuclear resonance effect

International Nuclear Information System (INIS)

Leon, M.

1975-06-01

The E2 nuclear resonance effect in hadronic atoms offers a way to increase the hadronic information that can be obtained from hadronic x-ray experiments. The effect occurs when an atomic deexcitation energy closely matches a nuclear excitation energy, so that some configuration mixing occurs. It shows up as an attenuation of some of the hadronic x-ray lines from a resonant versus a normal isotope target. The effect was observed very clearly in pionic cadmium in a recent LAMPF experiment. A planned LAMPF experiment will use the nuclear resonance effect to determine whether the p-wave π-nucleus interaction does indeed become repulsive for Z greater than or equal to 35 as predicted. The effect also appears in the kaonic molybdenum data taken at LBL because several of the stable molybdenum isotopes are resonant. A number of promising cases for π - , K - , anti p, and Σ - atoms are discussed and a spectacular and potentially very informative experiment on anti p- 100 Mo is proposed. (9 figures, 9 tables) (U.S.)

Atomic effects in tritium beta-decay. II. Muon to electron conversion in atoms

International Nuclear Information System (INIS)

Wampler, K.D.

1989-01-01

I. The final-state, atomic effects in the low energy end of the tritium beta decay spectrum are studied in detail. The author treats the instantaneous, two-electron repulsion in the final state, effectively to all orders in perturbation theory, by solving the eigenvalue problem with a discretized and truncated form of the Hamiltonian. He finds that these effects fail to explain the distortion in the spectrum observed by Simpson (Phys. Rev. Lett. 54, 649 (1985)). Simpson attributed this distortion to the admixture of a heavy mass antineutrino in the outgoing electron antineutrino state. In fact, the final-state Coulomb effects enhance the distortion. This calculation clears up some of the ambiguities of other theoretical analyses based on considerations of screening functions and perturbation theory. II. He presents a phenomenological study of separate lepton number violating muon to electron conversion in atoms. Previous work on this process has concentrated on elastic transitions where the nucleus characteristics have the gate on the substrate and the source-drain contacts on the top of the sample. The first use as an FET dielectric is reported of hydrogenated amorphous silicon-carbon (prepared from silane and propane mixture), photo-oxidised by UV lamp or laser. These FETs have similar characteristics to those with silicon nitride gate insulator but without the difficulties of preparing good insulator/semiconductor interfaces. Using the same materials attempts have been made to produce charge coupled devices

Blackness coefficients, effective diffusion parameters, and control rod worths for thermal reactors - Methods

Energy Technology Data Exchange (ETDEWEB)

Bretscher, M M [Argonne National Laboratory, Argonne, IL 60439 (United States)

1985-07-01

Simple diffusion theory cannot be used to evaluate control rod worths in thermal neutron reactors because of the strongly absorbing character of the control material. However, reliable control rod worths can be obtained within the framework of diffusion theory if the control material is characterized by a set of mesh-dependent effective diffusion parameters. For thin slab absorbers the effective diffusion parameters can be expressed as functions of a suitably-defined pair of 'blackness coefficients'. Methods for calculating these blackness coefficients in the P1, P3, and P5 approximations, with and without scattering, are presented. For control elements whose geometry does not permit a thin slab treatment, other methods are needed for determining the effective diffusion parameters. One such method, based on reaction rate ratios, is discussed. (author)

Estimation of Inbreeding Coefficient and Its Effects on Lamb Survival in Sheep

Directory of Open Access Journals (Sweden)

mohammad almasi

2016-04-01

Full Text Available Introduction The mating of related individuals produces an inbred offspring and leads to an increased homozygosity in the progeny, genetic variance decrease within families and increase between families. The ration of homozygosity for individuals was calculated by inbreeding coefficient. Inbred individuals may carry two alleles at a locus that are replicated from one gene in the previous generations, called identical by descent. The inbreeding coefficient should be monitored in a breeding program, since it plays an important role at decreasing of homeostasis, performance, reproduction and viability. The trend of inbreeding is an indicator for determining of inbreeding level in the herd. Inbreeding affects both phenotypic means of traits and genetic variances within population, thus it is an important factor for delimitations of genetic progress in a population. Reports showed an inbreeding increase led to decrease of phenotypic value in some of the productive and reproductive traits. Materials and Methods In the current study, the pedigree data of 14030 and 6215 records of Baluchi and Iranblack lambs that collected from 1984 to 2011 at the Abbasabad Sheep Breeding Station in Mashhad, Iran, 3588 records of Makoei lambs that collected from 1994 to 2011 at the Makoei sheep breeding station and 6140, records of Zandi lambs that collected from 1991 to 2011 at the Khejir Sheep Breeding Station in Tehran, Iran were used to estimating the inbreeding coefficient and its effects on lamb survival in these breeds. Lamb survival trait was scored as 1 and 0 for lamb surviving and not surviving at weaning weight, respectively. Inbreeding coefficient was estimated by relationship matrix algorithm (A=TDT' methodology using the CFC software program. Effects of inbreeding coefficient on lamb survival were estimated by restricted maximum likelihood (REML method under 12 different animal models using ASReml 3.0 computer programme. Coefficient of inbreeding for each

Stable atomic hydrogen: Polarized atomic beam source

International Nuclear Information System (INIS)

Niinikoski, T.O.; Penttilae, S.; Rieubland, J.M.; Rijllart, A.

1984-01-01

We have carried out experiments with stable atomic hydrogen with a view to possible applications in polarized targets or polarized atomic beam sources. Recent results from the stabilization apparatus are described. The first stable atomic hydrogen beam source based on the microwave extraction method (which is being tested ) is presented. The effect of the stabilized hydrogen gas density on the properties of the source is discussed. (orig.)

Progress in Visualizing Atomic Size Effects with DFT-Chemical Pressure Analysis: From Isolated Atoms to Trends in AB5 Intermetallics.

Science.gov (United States)

Berns, Veronica M; Engelkemier, Joshua; Guo, Yiming; Kilduff, Brandon J; Fredrickson, Daniel C

2014-08-12

The notion of atomic size poses an important challenge to chemical theory: empirical evidence has long established that atoms have spatial requirements, which are summarized in tables of covalent, ionic, metallic, and van der Waals radii. Considerations based on these radii play a central role in the design and interpretation of experiments, but few methods are available to directly support arguments based on atomic size using electronic structure methods. Recently, we described an approach to elucidating atomic size effects using theoretical calculations: the DFT-Chemical Pressure analysis, which visualizes the local pressures arising in crystal structures from the interactions of atomic size and electronic effects. Using this approach, a variety of structural phenomena in intermetallic phases have already been understood in terms that provide guidance to new synthetic experiments. However, the applicability of the DFT-CP method to the broad range of the structures encountered in the solid state is limited by two issues: (1) the difficulty of interpreting the intense pressure features that appear in atomic core regions and (2) the need to divide space among pairs of interacting atoms in a meaningful way. In this article, we describe general solutions to these issues. In addressing the first issue, we explore the CP analysis of a test case in which no core pressures would be expected to arise: isolated atoms in large boxes. Our calculations reveal that intense core pressures do indeed arise in these virtually pressure-less model systems and allow us to trace the issue to the shifts in the voxel positions relative to atomic centers upon expanding and contracting the unit cell. A compensatory grid unwarping procedure is introduced to remedy this artifact. The second issue revolves around the difficulty of interpreting the pressure map in terms of interatomic interactions in a way that respects the size differences of the atoms and avoids artificial geometrical

Determination of quenching coefficients by time resolved emission spectroscopy

International Nuclear Information System (INIS)

Gans, T.; Schulz-von der Gathen, V.; Doebele, H.F.

2001-01-01

Capacitively coupled RF discharges (CCRF discharges) at 13.56 MHz in hydrogen exhibit a field reversal phase of about 10 ns during which an intense electron current provides collisional excitation, within the sheath region. After this strongly dominant short pulsed electron impact excitation, it is possible to determine quenching coefficients from the lifetime of the fluorescence at various pressures by time resolved OES even for high energy levels and without any restrictions of optical selection rules. This novel technique allows the measurement of quenching coefficients for atomic and molecular emission lines of hydrogen itself, as well as for emission lines of small admixtures (e.g. noble gases) to the hydrogen discharge, since with a fast gate-able ICCD camera operating at 13.56 MHz it is possible to measure even faint emission lines temporally resolved

Determination of quenching coefficients by time resolved emission spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Gans, T.; Schulz-von der Gathen, V.; Doebele, H.F. [Essen Univ. (Gesamthochschule) (Germany). Inst. fuer Laser- und Plasmaphysik

2001-07-01

Capacitively coupled RF discharges (CCRF discharges) at 13.56 MHz in hydrogen exhibit a field reversal phase of about 10 ns during which an intense electron current provides collisional excitation, within the sheath region. After this strongly dominant short pulsed electron impact excitation, it is possible to determine quenching coefficients from the lifetime of the fluorescence at various pressures by time resolved OES even for high energy levels and without any restrictions of optical selection rules. This novel technique allows the measurement of quenching coefficients for atomic and molecular emission lines of hydrogen itself, as well as for emission lines of small admixtures (e.g. noble gases) to the hydrogen discharge, since with a fast gate-able ICCD camera operating at 13.56 MHz it is possible to measure even faint emission lines temporally resolved.

Spectroscopy of systems of two identical atoms: effects of quantum interference

International Nuclear Information System (INIS)

Makarov, A.A.; Yudson, V.I.

2017-01-01

Several effects of quantum interference in spectroscopy of a system of two atoms are discussed. (i) In the system of spatially separated atoms in a one-dimensional (1D) geometry (a single-mode waveguide or photon crystal), a (meta)stable excited entangled state can be formed, its decay being very sensitive to the distance between the atoms and to perturbations which cause a difference between their resonance frequencies. (ii) In a system of closely located atoms in 3D space, the extreme sensitivity of absorption and fluorescence spectra to the direction of the applied magnetic field is demonstrated. These theoretical predictions can be useful for the quantum information processing and ultrasensitive measurements.

Cascade of negative muons in atoms

International Nuclear Information System (INIS)

Akylas, V.R.

1978-01-01

A study is made of the evolution of a negative muon captured in an atom and the formalism of energy loss associated with the muonic atom. The principal goals are to calculate reliability the muon x-ray intensities, given the initial population of the muonic orbits, to invert the problem and deduce the initial distribution from the x-ray intensities, to provide a reasonably simple and convenient tool to correlate observations, and finally, to systematize some questions of theoretical interest. The early part of the history of the muon in matter, including the atomic capture and classical phase of the atomic cascade are reviewed. In the quantal treatment of the transition rates, both radiative and electron Auger transitions are considered. In general, multipolarities up to E3 and K, L, and M electronic shells are fully investigated. Multipole radiation is treated in the conventinal way and pesents no special problems. Magnetic type transitions between states with different principal quantum numbers are shown to be small. Auger electron ejection rates are more complicated and several approximations have been adopted. The basic results have been computed in terms of elemetary functions. In the Auger transitions we have shown that magnetic multipoles can be safety neglected. The relative sizes of the rates corresponding to different multipoles are systematically studied. A comparison of results is made with atomic photoelectric effect data and with the nuclear internal conversion coefficients. A general agreement is found, except around shell thresholds. The existing data of muonic x-ray intensities in iron and thallium are analyzed in a systematic way. It is found that for Fe the initial l-distribution is almost flat, whereas that for T1 is weighted towards the high l values, sharper than statistical. As a result of the investigations and in order to make our findings usable, a computer program has been developed. 36 references

Temperature effects on diffusion coefficient for 6-gingerol and 6-shogaol in subcritical water extraction

International Nuclear Information System (INIS)

Anisa, Nor Ilia; Azian, Noor; Sharizan, Mohd; Iwai, Yoshio

2014-01-01

6-gingerol and 6-shogaol are the main constituents as anti-inflammatory or bioactive compounds from zingiber officinale Roscoe. These bioactive compounds have been proven for inflammatory disease, antioxidatives and anticancer. The effect of temperature on diffusion coefficient for 6-gingerol and 6-shogaol were studied in subcritical water extraction. The diffusion coefficient was determined by Fick's second law. By neglecting external mass transfer and solid particle in spherical form, a linear portion of Ln (1-(Ct/Co)) versus time was plotted in determining the diffusion coefficient. 6-gingerol obtained the higher yield at 130°C with diffusion coefficient of 8.582x10 −11 m 2 /s whilst for 6-shogaol, the higher yield and diffusion coefficient at 170°C and 19.417 × 10 −11 m 2 /s.

Code ATOM for calculation of atomic characteristics

International Nuclear Information System (INIS)

Vainshtein, L.A.

1990-01-01

In applying atomic physics to problems of plasma diagnostics, it is necessary to determine some atomic characteristics, including energies and transition probabilities, for very many atoms and ions. Development of general codes for calculation of many types of atomic characteristics has been based on general but comparatively simple approximate methods. The program ATOM represents an attempt at effective use of such a general code. This report gives a brief description of the methods used, and the possibilities of and limitations to the code are discussed. Characteristics of the following processes can be calculated by ATOM: radiative transitions between discrete levels, radiative ionization and recombination, collisional excitation and ionization by electron impact, collisional excitation and ionization by point heavy particle (Born approximation only), dielectronic recombination, and autoionization. ATOM explores Born (for z=1) or Coulomb-Born (for z>1) approximations. In both cases exchange and normalization can be included. (N.K.)

Pulse radiolysis studies of the reactions of bromine atoms and dimethyl sulfoxide bromine atom complexes with alcohols

Science.gov (United States)

Sumiyoshi, Takashi; Fujiyoshi, Ryoko; Katagiri, Miho; Sawamura, Sadashi

2007-05-01

Dimethylsulfoxide (DMSO)-Br complexes were generated by pulse radiolysis of DMSO/bromomethane mixtures and the formation mechanism and spectral characteristics of the formed complexes were investigated in detail. The rate constant for the reaction of bromine atoms with DMSO and the extinction coefficient of the complex were obtained to be 4.6×10 9 M -1 s -1 and 6300 M -1 cm -1 at the absorption maximum of 430 nm. Rate constants for the reaction of bromine atoms with a series of alcohols were determined in CBrCl 3 solutions applying a competitive kinetic method using the DMSO-Br complex as the reference system. The obtained rate constants were ˜10 8 M -1 s -1, one or two orders larger than those reported for highly polar solvents. Rate constants of DMSO-Br complexes with alcohols were determined to be ˜ 10 7 M -1 s -1. A comparison of the reactivities of Br atoms and DMSO-Br complexes with those of chlorine atoms and chlorine atom complexes which are ascribed to hydrogen abstracting reactants strongly indicates that hydrogen abstraction from alcohols is not the rate determining step in the case of Br atoms and DMSO-Br complexes.

The influence of reactor core parameters on effective breeding coefficient Keff

Institute of Scientific and Technical Information of China (English)

Liu Li-Po; Liu Yi-Bao; Wang Juan; Yang Bo; Zhang Tao

2008-01-01

The values of effective breeding coefficient Keff in a reactor core of nuclear power plant are calculated for different values of parameters (core structure, fuel assembly component) by using the Monte Carlo method. The obtained values of Keff are compared and analysed, which can provide theoretical basis for reactor design.

Spatially varying cross-correlation coefficients in the presence of nugget effects

KAUST Repository

Kleiber, William; Genton, Marc G.

2012-01-01

We derive sufficient conditions for the cross-correlation coefficient of a multivariate spatial process to vary with location when the spatial model is augmented with nugget effects. The derived class is valid for any choice of covariance functions, and yields substantial flexibility between multiple processes. The key is to identify the cross-correlation coefficient matrix with a contraction matrix, which can be either diagonal, implying a parsimonious formulation, or a fully general contraction matrix, yielding greater flexibility but added model complexity. We illustrate the approach with a bivariate minimum and maximum temperature dataset in Colorado, allowing the two variables to be positively correlated at low elevations and nearly independent at high elevations, while still yielding a positive definite covariance matrix. © 2012 Biometrika Trust.

Spatially varying cross-correlation coefficients in the presence of nugget effects

KAUST Repository

Kleiber, William

2012-11-29

We derive sufficient conditions for the cross-correlation coefficient of a multivariate spatial process to vary with location when the spatial model is augmented with nugget effects. The derived class is valid for any choice of covariance functions, and yields substantial flexibility between multiple processes. The key is to identify the cross-correlation coefficient matrix with a contraction matrix, which can be either diagonal, implying a parsimonious formulation, or a fully general contraction matrix, yielding greater flexibility but added model complexity. We illustrate the approach with a bivariate minimum and maximum temperature dataset in Colorado, allowing the two variables to be positively correlated at low elevations and nearly independent at high elevations, while still yielding a positive definite covariance matrix. © 2012 Biometrika Trust.

Transfer coefficients of radionuclides from feed to livestock products

International Nuclear Information System (INIS)

1995-03-01

The accumulation of data on radionuclide transfer are poor in Japan and those are limited to 90 Sr, 137 Cs and 131 I released from the previous atomic bomb experiments. However, in Europe, intensive studies on environment RI level which affects the restriction of the intake for meats and milk products have been made as the measures against the environment radioactivity due to Chernobyl accident. The transfer coefficients of radionuclides to meats and milk products were estimated on a basis of the data published in the Science of the Total Environment vol.85(1989), Oxford University and CEC Radiation Protection, EUR 12608 EN, Luxembourg, 1990 in addition to the data on Exclusion of Radioactivity from foods, Environment Parameter, series No. 4. On the other hand, the transfer coefficients for Japanese were estimated using the concerned data from published reports and the environment radioactivity data reported by national and local government bodies. In this book, many new data of transfer coefficient are presented in tables along with the previous data collected by international nuclear energy agencies and respective national facilities concerned. (M.N.)

Electronic and atomic impacts on large clusters

International Nuclear Information System (INIS)

Gspann, J.

1982-01-01

Describing first the generation and properties of molecular beams of large Van der Waals clusters such as speed distribution, cluster size distribution, and internal temperature of the clusters, the review then features the results of electronic impacts on large clusters: metastable electronic cluster excitations, ejection of positive cluster ions of less than 100 atoms from much larger parent clusters, and ionization of the large clusters. Atomic impacts at thermal energies are treated with respect to the scattering cross section of the clusters, their drag coefficient in free molecular flow, and the peculiarities of impacts on helium clusters of either isotope. (Auth.)

The OPEN-ADAS Approach to Atomic Data Provision

Energy Technology Data Exchange (ETDEWEB)

O' Mullane, M [University of Strathclyde, Department of Physics, Glasgow (United Kingdom)

2011-11-15

Dr O'Mullane of University of Strathclyde presented an overview of the ADAS project (Atomic Data and Analysis Structure, http://www.adas.ac.uk/) and of OPEN-ADAS (http://open.adas.ac.uk/). ADAS is maintained as a self-funding consortium of fusion laboratories. The project provides an interconnected set of computer codes and data collections for modeling the radiating properties of ions and atoms in plasmas. The ADAS data fall into 3 broad classes: 1) Fundamental data such as A- values, cross-sections and effective collision strengths obtained from ADAS collaborators, the literature or data centres. 2) Derived data processed for modeling such as electron temperature and density dependent effective emission coefficients, effective ionization/recombination rates, radiated power and spectral emissivities. 3) Driver data which allow complete regeneration of all ADAS derived data in conjunction with the various ADAS codes. ADAS data uses high quality data as well as baseline data for fall-back when high quality data is not available. The data is mostly embedded in codes and the update without expert help is problematic. The ADAS data formats (adf) are precisely defined and Fortran codes are supplied to read the data sets for easy access. IDL can be used for interactive manipulation. The OPEN-ADAS project is a joint development between the ADAS Project and the IAEA to make the extensive fundamental and derived atomic data for fusion more widely available. It is designed to appeal to both plasma modelers and those interested in the detailed atomic physics. It has been searchable through the Google Scholar and appears in citations, which gives greater visibility and credits to the data producers. The OPEN-ADAS server was replaced due to a series of attacks since June 2011 and was off-line for 8 weeks. The new service removed the registration requirement and hence the user statistics is limited.

The OPEN-ADAS Approach to Atomic Data Provision

International Nuclear Information System (INIS)

O'Mullane, M.

2011-01-01

Dr O'Mullane of University of Strathclyde presented an overview of the ADAS project (Atomic Data and Analysis Structure, http://www.adas.ac.uk/) and of OPEN-ADAS (http://open.adas.ac.uk/). ADAS is maintained as a self-funding consortium of fusion laboratories. The project provides an interconnected set of computer codes and data collections for modeling the radiating properties of ions and atoms in plasmas. The ADAS data fall into 3 broad classes: 1) Fundamental data such as A- values, cross-sections and effective collision strengths obtained from ADAS collaborators, the literature or data centres. 2) Derived data processed for modeling such as electron temperature and density dependent effective emission coefficients, effective ionization/recombination rates, radiated power and spectral emissivities. 3) Driver data which allow complete regeneration of all ADAS derived data in conjunction with the various ADAS codes. ADAS data uses high quality data as well as baseline data for fall-back when high quality data is not available. The data is mostly embedded in codes and the update without expert help is problematic. The ADAS data formats (adf) are precisely defined and Fortran codes are supplied to read the data sets for easy access. IDL can be used for interactive manipulation. The OPEN-ADAS project is a joint development between the ADAS Project and the IAEA to make the extensive fundamental and derived atomic data for fusion more widely available. It is designed to appeal to both plasma modelers and those interested in the detailed atomic physics. It has been searchable through the Google Scholar and appears in citations, which gives greater visibility and credits to the data producers. The OPEN-ADAS server was replaced due to a series of attacks since June 2011 and was off-line for 8 weeks. The new service removed the registration requirement and hence the user statistics is limited.

Gini coefficient as a life table function

Directory of Open Access Journals (Sweden)

2003-06-01

Full Text Available This paper presents a toolkit for measuring and analyzing inter-individual inequality in length of life by Gini coefficient. Gini coefficient and four other inequality measures are defined on the length-of-life distribution. Properties of these measures and their empirical testing on mortality data suggest a possibility for different judgements about the direction of changes in the degree of inequality by using different measures. A new computational procedure for the estimation of Gini coefficient from life tables is developed and tested on about four hundred real life tables. The estimates of Gini coefficient are precise enough even for abridged life tables with the final age group of 85+. New formulae have been developed for the decomposition of differences between Gini coefficients by age and cause of death. A new method for decomposition of age-components into effects of mortality and composition of population by group is developed. Temporal changes in the effects of elimination of causes of death on Gini coefficient are analyzed. Numerous empirical examples show: Lorenz curves for Sweden, Russia and Bangladesh in 1995, proportional changes in Gini coefficient and four other measures of inequality for the USA in 1950-1995 and for Russia in 1959-2000. Further shown are errors of estimates of Gini coefficient when computed from various types of mortality data of France, Japan, Sweden and the USA in 1900-95, decompositions of the USA-UK difference in life expectancies and Gini coefficients by age and cause of death in 1997. As well, effects of elimination of major causes of death in the UK in 1951-96 on Gini coefficient, age-specific effects of mortality and educational composition of the Russian population on changes in life expectancy and Gini coefficient between 1979 and 1989. Illustrated as well are variations in life expectancy and Gini coefficient across 32 countries in 1996-1999 and associated changes in life expectancy and Gini

CALCULATION OF FLUENCE-TO-EFFECTIVE DOSE CONVERSION COEFFICIENTS FOR THE OPERATIONAL QUANTITY PROPOSED BY ICRU RC26.

Science.gov (United States)

Endo, Akira

2017-07-01

Fluence-to-effective dose conversion coefficients have been calculated for photons, neutrons, electrons, positrons, protons, muons, pions and helium ions for various incident angles of radiations. The aim of this calculation is to provide a set of conversion coefficients to the Report Committee 26 (RC26) of the International Commission on Radiation Units and Measurements (ICRU) for use in defining personal dose equivalent for individual monitoring. The data sets comprise effective dose conversion coefficients for incident angles of radiations from 0° to ±90° in steps of 15° and at ±180°. Conversion coefficients for rotational, isotropic, superior hemisphere semi-isotropic and inferior hemisphere semi-isotropic irradiations are also included. Numerical data of the conversion coefficients are presented as supplementary data. The conversion coefficients are used to define the personal dose equivalent, which is being considered by the ICRU RC26, as the operational quantity for individual monitoring. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Motion of guiding center drift atoms in the electric and magnetic field of a Penning trap

International Nuclear Information System (INIS)

Kuzmin, S.G.; O'Neil, T.M.

2005-01-01

The ApparaTus for High precision Experiment on Neutral Antimatter and antihydrogen TRAP collaborations have produced antihydrogen atoms by recombination in a cryogenic antiproton-positron plasma. This paper discusses the motion of the weakly bound atoms in the electric and magnetic field of the plasma and trap. The effective electric field in the moving frame of the atom polarizes the atom, and then gradients in the field exert a force on the atom. An approximate equation of motion for the atom center of mass is obtained by averaging over the rapid internal dynamics of the atom. The only remnant of the atom internal dynamics that enters this equation is the polarizability for the atom. This coefficient is evaluated for the weakly bound and strongly magnetized (guiding center drift) atoms understood to be produced in the antihydrogen experiments. Application of the approximate equation of motion shows that the atoms can be trapped radially in the large space charge field near the edge of the positron column. Also, an example is presented for which there is full three-dimensional trapping, not just radial trapping. Even untrapped atoms follow curved trajectories, and such trajectories are discussed for the important class of atoms that reach a field ionization diagnostic. Finally, the critical field for ionization is determined as an upper bound on the range of applicability of the theory

Simulated mixed absorbers and effective atomic numbers for γ ...

Indian Academy of Sciences (India)

Keywords. γ-rays; γ attenuation; simulated mixed absorbers; effective atomic ... We have tried to simulate composite (mixed) absorbers ... Experimental method .... puter, Program manual, Centre for Radiation Research, National Bureau of ...

Electron capture in collisions of S{sup 4+} with atomic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Stancil, P.C. [Department of Physics and Astronomy, University of Georgia, Athens, GA (United States)]. E-mail: stancil@physast.uga.edu; Turner, A.R. [Department of Chemistry, University of Liverpool, Liverpool (United Kingdom)]. E-mail: art@liv.ac.uk; Cooper, D.L. [Department of Chemistry, University of Liverpool, Liverpool (United Kingdom)]. E-mail: dlc@liv.ac.uk; Schultz, D.R. [Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States)]. E-mail: schultz@mail.phy.ornl.gov; Rakovic, M.J. [Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN (United States)]. E-mail: milun@mail.phy.ornl.gov; Fritsch, W. [Abteilung Theoretische Physik, Hahn-Meitner-Institut Berlin, Berlin (Germany)]. E-mail: fritsch@hmi.de; Zygelman, B. [Department of Physics, University of Nevada, Las Vegas, NV (United States)]. E-mail: bernard@physics.unlv.edu

2001-06-28

Charge transfer processes due to collisions of ground state S{sup 4+}(3s{sup 2} {sup 1}S) ions with atomic hydrogen are investigated for energies between 1 meV u{sup -1} and 10 MeV u{sup -1} using the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially stripped S{sup 3+} excited classical states. Hydrogen target isotope effects are explored and rate coefficients for temperatures between 100 and 10{sup 6} K are also presented. (author)

Atomization of volatile compounds for atomic absorption and atomic fluorescence spectrometry: On the way towards the ideal atomizer

International Nuclear Information System (INIS)

Dedina, Jiri

2007-01-01

This review summarizes and discusses the individual atomizers of volatile compounds. A set of criteria important for analytical praxis is used to rank all the currently existing approaches to the atomization based on on-line atomization for atomic absorption (AAS) and atomic fluorescence spectrometry (AFS) as well as on in-atomizer trapping for AAS. Regarding on-line atomization for AAS, conventional quartz tubes are currently the most commonly used devices. They provide high sensitivity and low baseline noise. Running and investment costs are low. The most serious disadvantage is the poor resistance against atomization interferences and often unsatisfactory linearity of calibration graphs. Miniature diffusion flame (MDF) is extremely resistant to interferences, simple, cheap and user-friendly. Its essential disadvantage is low sensitivity. A novel device, known as a multiatomizer, was designed to overcome disadvantages of previous atomizers. It matches performance of conventional quartz tubes in terms of sensitivity and baseline noise as well as in running and investment costs. The multiatomizer, however, provides much better (i) resistance against atomization interferences and (ii) linearity of calibration graphs. In-atomizer trapping enhances the sensitivity of the determination and eliminates the effect of the generation kinetics and of surges in gas flow on the signal shape. This is beneficial for the accuracy of the determination. It could also be an effective tool for reducing some interferences in the liquid phase. In-situ trapping in graphite furnaces (GF) is presently by far the most popular approach to the in-atomizer trapping. Its resistance against interferences is reasonably good and it can be easily automated. In-situ trapping in GF is a mature method well established in various application fields. These are the reasons to rank in-situ trapping in GF as currently the most convenient approach to hydride atomization for AAS. The recently suggested

Short-channel field-effect transistors with 9-atom and 13-atom wide graphene nanoribbons.

Science.gov (United States)

Llinas, Juan Pablo; Fairbrother, Andrew; Borin Barin, Gabriela; Shi, Wu; Lee, Kyunghoon; Wu, Shuang; Yong Choi, Byung; Braganza, Rohit; Lear, Jordan; Kau, Nicholas; Choi, Wonwoo; Chen, Chen; Pedramrazi, Zahra; Dumslaff, Tim; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus; Fischer, Felix; Zettl, Alex; Ruffieux, Pascal; Yablonovitch, Eli; Crommie, Michael; Fasel, Roman; Bokor, Jeffrey

2017-09-21

Bottom-up synthesized graphene nanoribbons and graphene nanoribbon heterostructures have promising electronic properties for high-performance field-effect transistors and ultra-low power devices such as tunneling field-effect transistors. However, the short length and wide band gap of these graphene nanoribbons have prevented the fabrication of devices with the desired performance and switching behavior. Here, by fabricating short channel (L ch  ~ 20 nm) devices with a thin, high-κ gate dielectric and a 9-atom wide (0.95 nm) armchair graphene nanoribbon as the channel material, we demonstrate field-effect transistors with high on-current (I on  > 1 μA at V d  = -1 V) and high I on /I off  ~ 10 5 at room temperature. We find that the performance of these devices is limited by tunneling through the Schottky barrier at the contacts and we observe an increase in the transparency of the barrier by increasing the gate field near the contacts. Our results thus demonstrate successful fabrication of high-performance short-channel field-effect transistors with bottom-up synthesized armchair graphene nanoribbons.Graphene nanoribbons show promise for high-performance field-effect transistors, however they often suffer from short lengths and wide band gaps. Here, the authors use a bottom-up synthesis approach to fabricate 9- and 13-atom wide ribbons, enabling short-channel transistors with 10 5 on-off current ratio.

Effects of reservoir heterogeneity on scaling of effective mass transfer coefficient for solute transport

Science.gov (United States)

Leung, Juliana Y.; Srinivasan, Sanjay

2016-09-01

Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It

Effects of relativistic small radial component on atomic photoionization cross sections

International Nuclear Information System (INIS)

Liu Xiaobin; Xing Yongzhong; Sun Xiaowei

2008-01-01

The effects of relativistic small radial component on atomic photoionization cross sections have been studied within relativistic average self-consistent field theory. Relativistic effects are relatively unimportant for low photon energy, along with a review of high-energy photoionization the relativistic effects are quite important. The effects of relativistic small radial component on photoionization process should show breakdown when the nuclear finite-size effects is taken into account. The compression of wavefunction into the space near nucleus is so strong in highly charged ions that the electronic radius greatly decreases, and the effects of relativistic small radial component on photoionization cross sections turn to stronger than ordinary atoms. Since relativistic effects are extremely sensitive to the behavior of small radial component, the results are in good agreement with relativistic effects on photoionization cross section. (authors)

A Molecular Dynamics of Cold Neutral Atoms Captured by Carbon Nanotube Under Electric Field and Thermal Effect as a Selective Atoms Sensor.

Science.gov (United States)

Santos, Elson C; Neto, Abel F G; Maneschy, Carlos E; Chen, James; Ramalho, Teodorico C; Neto, A M J C

2015-05-01

Here we analyzed several physical behaviors through computational simulation of systems consisting of a zig-zag type carbon nanotube and relaxed cold atoms (Rb, Au, Si and Ar). These atoms were chosen due to their different chemical properties. The atoms individually were relaxed on the outside of the nanotube during the simulations. Each system was found under the influence of a uniform electric field parallel to the carbon nanotube and under the thermal effect of the initial temperature at the simulations. Because of the electric field, the cold atoms orbited the carbon nanotube while increasing the initial temperature allowed the variation of the radius of the orbiting atoms. We calculated the following quantities: kinetic energy, potential energy and total energy and in situ temperature, molar entropy variation and average radius of the orbit of the atoms. Our data suggest that only the action of electric field is enough to generate the attractive potential and this system could be used as a selected atoms sensor.

Research on the Method of Noise Error Estimation of Atomic Clocks

Science.gov (United States)

Song, H. J.; Dong, S. W.; Li, W.; Zhang, J. H.; Jing, Y. J.

2017-05-01

The simulation methods of different noises of atomic clocks are given. The frequency flicker noise of atomic clock is studied by using the Markov process theory. The method for estimating the maximum interval error of the frequency white noise is studied by using the Wiener process theory. Based on the operation of 9 cesium atomic clocks in the time frequency reference laboratory of NTSC (National Time Service Center), the noise coefficients of the power-law spectrum model are estimated, and the simulations are carried out according to the noise models. Finally, the maximum interval error estimates of the frequency white noises generated by the 9 cesium atomic clocks have been acquired.

Plasma screening effects on the energies of hydrogen atom

International Nuclear Information System (INIS)

Soylu, A.

2012-01-01

A more general exponential cosine screened Coulomb potential is used for the first time to investigate the screening effects on the hydrogen atom in plasmas. This potential is examined for four different cases that correspond to four different type potentials when the different parameters are used in the potential within the framework of the well-known asymptotic iteration method. By solving the corresponding the radial Schrödinger equation with the screened and exponential cosine screened Coulomb potentials and comparing the obtained energy eigenvalues with the results of other studies, the applicability of the method to this kind of plasma physics problem is shown. The energy values of more general exponential cosine screened Coulomb potential are presented for various parameters in the potential. One of the advantages of the present potential is that it exhibits stronger screening effect than that of the exponential cosine screened Coulomb potential and it is also reduced to screened Coulomb and exponential cosine screened Coulomb as well as Coulomb potentials for special values of parameters. The parameters in the potential would be useful to model screening effects which cause an increase or decrease in the energy values of hydrogen atom in both Debye and quantum plasmas and in this manner this potential would be useful for the investigations of the atomic structure and collisions in plasmas.

Coherence effects in atomic impact processes

International Nuclear Information System (INIS)

Blum, K.

1980-01-01

The author considers excitation of target atoms by projectile particles and the coincident detection of the scattered projectiles and the photons emitted in the subsequent decay by the target atoms. The observation is restricted to radiation emitted by those atoms only which 'scattered' the projectiles with a given energy in a given direction defined by the particle detector. Thus, a certain subensemble of atoms is selected in the experiment. The author reviews the theoretical scheme used for the description of the excited subensemble with the emphasis on the coherence properties. The author reviews developments of the Fano-Macek theory concerning the description of coherently excited states with different angular momenta and parities. A comprehensive expression for the angular distribution of the emitted radiation, including all possible interference terms is given. (Auth.)

Impact of alternative fuel rheology on spraying process of small pressure-swirl atomizer

Energy Technology Data Exchange (ETDEWEB)

Malý, Milan, E-mail: milan.maly@vutbr.cz; Janáčková, Lada; Jedelský, Jan, E-mail: jedelsky@vutbr.cz; Jícha, Miroslav [Brno University of Technology, Faculty of Mechanical Engineering, Energy Institute, Technická 2896/2, 61669 Brno (Czech Republic)

2016-06-30

A systematic investigation was made to analyse the atomizing performance of a small pressure-swirl atomizer with different crude-oil based fuels and water. The atomizer performance is characterized in terms of discharge coefficient, droplet Sauter mean diameter and nozzle efficiency. Phase-Doppler anemometry was used to measure droplets sizes and velocities and to determine the mean structure of the developed spray. A strong dependence of liquid viscosity on the mass flow rate through the atomizer as well as on the spray quality was found and discussed in comparison with relevant literature.

Impact of alternative fuel rheology on spraying process of small pressure-swirl atomizer

Science.gov (United States)

Malý, Milan; Janáčková, Lada; Jedelský, Jan; Jícha, Miroslav

2016-06-01

A systematic investigation was made to analyse the atomizing performance of a small pressure-swirl atomizer with different crude-oil based fuels and water. The atomizer performance is characterized in terms of discharge coefficient, droplet Sauter mean diameter and nozzle efficiency. Phase-Doppler anemometry was used to measure droplets sizes and velocities and to determine the mean structure of the developed spray. A strong dependence of liquid viscosity on the mass flow rate through the atomizer as well as on the spray quality was found and discussed in comparison with relevant literature.

Impact of alternative fuel rheology on spraying process of small pressure-swirl atomizer

International Nuclear Information System (INIS)

Malý, Milan; Janáčková, Lada; Jedelský, Jan; Jícha, Miroslav

2016-01-01

A systematic investigation was made to analyse the atomizing performance of a small pressure-swirl atomizer with different crude-oil based fuels and water. The atomizer performance is characterized in terms of discharge coefficient, droplet Sauter mean diameter and nozzle efficiency. Phase-Doppler anemometry was used to measure droplets sizes and velocities and to determine the mean structure of the developed spray. A strong dependence of liquid viscosity on the mass flow rate through the atomizer as well as on the spray quality was found and discussed in comparison with relevant literature.

Coefficient of friction and wear rate effects of different composite nanolubricant concentrations on Aluminium 2024 plate

Science.gov (United States)

Zawawi, N. N. M.; Azmi, W. H.; Redhwan, A. A. M.; Sharif, M. Z.

2017-10-01

Wear of sliding parts and operational machine consistency enhancement can be avoided with good lubrication. Lubrication reduce wear between two contacting and sliding surfaces and decrease the frictional power losses in compressor. The coefficient of friction and wear rate effects study were carried out to measure the friction and anti-wear abilities of Al2O3-SiO2 composite nanolubricants a new type of compressor lubricant to enhanced the compressor performances. The tribology test rig employing reciprocating test conditions to replicate a piston ring contact in the compressor was used to measure the coefficient of friction and wear rate. Coefficient of friction and wear rate effects of different Al2O3-SiO2/PAG composite nanolubricants of Aluminium 2024 plate for 10-kg load at different speed were investigated. Al2O3 and SiO2 nanoparticles were dispersed in the Polyalkylene Glycol (PAG 46) lubricant using two-steps method of preparation. The result shows that the coefficient friction and wear rate of composite nanolubricants decreased compared to pure lubricant. The maximum reduction achievement for friction of coefficient and wear rate by Al2O3-SiO2 composite nanolubricants by 4.78% and 12.96% with 0.06% volume concentration. Therefore, 0.06% volume concentration is selected as the most enhanced composite nanolubricants with effective coefficient of friction and wear rate reduction compared to other volume concentrations. Thus, it is recommended to be used as the compressor lubrication to enhanced compressor performances.

Modeling and data analysis of the NASA-WSTF frictional heating apparatus - Effects of test parameters on friction coefficient

Science.gov (United States)

Zhu, Sheng-Hu; Stoltzfus, Joel M.; Benz, Frank J.; Yuen, Walter W.

1988-01-01

A theoretical model is being developed jointly by the NASA White Sands Test Facility (WSTF) and the University of California at Santa Barbara (UCSB) to analyze data generated from the WSTF frictional heating test facility. Analyses of the data generated in the first seconds of the frictional heating test are shown to be effective in determining the friction coefficient between the rubbing interfaces. Different friction coefficients for carobn steel and Monel K-500 are observed. The initial condition of the surface is shown to affect only the initial value of the friction coefficient but to have no significant influence on the average steady-state friction coefficient. Rotational speed and the formation of oxide film on the rotating surfaces are shown to have a significant effect on the friction coefficient.

Laser alteration of accommodation coefficient for isotope separation

International Nuclear Information System (INIS)

Keck, J.C.

1976-01-01

This patent describes a method and an apparatus for separating isotope types by inducing an isotopically selective vibrational excitation of molecules containing at least one atom of the element type whose isotopes are to be separated. Vibrational excitation is induced in the molecules by finely tuned, narrow bandwidth laser radiation applied to a gaseous flow of the molecules. Isotopic separation of the molecules is achieved from the enhanced difference in diffusion rates for the molecules due to an alteration of the accommodation coefficients in the excited molecules. 40 claims, 4 figures

Extreme electron correlation effects on the electric properties of atomic anions

International Nuclear Information System (INIS)

Canuto, S.

1994-01-01

The contribution of the electron correlation effects to the calculated dipole polarizability and hyper-polarizability of the first-row atomic anions is calculated and analyzed. It is shown that the total correlation contribution to the dipole hyperpolarizability is extremely large with the Hartree-Fock model accounting for only a small fraction of the accurate result. The linear and, more pronounced, the nonlinear response of atomic anions to the application of an electric field emphatically shows the effects of the correlated motion of the electrons

Distribution coefficients for chemical components of a coal-oil/water system

Energy Technology Data Exchange (ETDEWEB)

Picel, K C; Stamoudis, V C; Simmons, M S

1988-09-01

Distribution coefficients (K/sub D/) were measured by equilibrating a coal oil comparative reference material (CRM-1) with water and then separating the oil and water phases. Aqueous phase concentrations were determined by direct analysis of this phase, while organic phase concentrations were determined from the original oil composition by difference. The log K/sub D/ values obtained for acidic and basic components were generally <3, while those for the neutral components ranged from 3 to 6. For aromatic hydrocarbons, strong correlations were observed between log K/sub D/ and log S/sub w/ (water solubility), and between log K/sub D/ and log K/sub o//sub w/ (octanol/water partition coefficient). Alkylated benzenes had significantly higher K/sub D/s than did unsubstituted aromatics of similar molecular weight. Examination of homologs revealed an increase of 0.307 log K/sub D/ units per additional carbon atom for polynuclear aromatic hydrocarbons having from 10 to 16 carbons. Alkyl substituent effects determined for various sets of homologs ranged from 0.391 to 0.466 log K/sub d/ units per -CH/sub 2/- group added. 38 refs., 5 figs., 7 tabs.

Row spacing effects on light extinction coefficients of corn, sorghum, soybean, and sunflower

International Nuclear Information System (INIS)

Flénet, F.; Kiniry, J.R.; Board, J.E.; Westgate, M.E.; Reicosky, D.C.

1996-01-01

In many crop models, light intercepted by a canopy (IPAR) is calculated from a Beer's Law equation: IPAR = PAR x [1- exp(-k x LAI)], where k is the extinction coefficient, PAR the photosynthetically active radiation, and LAI the leaf area index. The first objective of this study was to investigate the effect of row spacing on k for corn (Zea mays L.), sorghum [Sorghum bicolor (L.) Moench], soybean [Glycine max (L.) Merr.], and sunflower (Helianthus annuus L.) to provide information for modeling. Data from literature and from an experiment conducted at Temple, TX, were evaluated. The second objective was to investigate effects of time of day and stage of crop development on k for different row spacings. Seeds of all four species were sown in rows 0.35, 0.66, or 1.00 m apart. Measurements of canopy light interception were taken near solar noon on two dates before anthesis. At anthesis, extinction coefficients were determined at 0845, 1015, and 1145 h (solar time). The extinction coefficient showed a linear decrease as row spacing increased. For each crop, the effect of row spacing on k was described by one linear regression for most data. Stage of crop development and stage of development x row spacing interaction did not significantly affect k during the period of measurements. The effect of time of day was significant for all four crops, and the time of day x row spacing interaction was significant for soybean and sunflower. Thus, modeling light interception for different row spacings should account for these effects

Monitoring device for local power peaking coefficients

International Nuclear Information System (INIS)

Mihashi, Ishi

1987-01-01

Purpose: To determine and monitor the local power peaking coefficients by a method not depending on the combination of fuel types. Constitution: Representative values for the local power distribution can be obtained by determining corresponding burn-up degrees based on the burn-up degree of each of fuel assembly segments obtained in a power distribution monitor and by the interpolation and extrapolation of void coefficients. The typical values are multiplied with compensation coefficients for the control rod effect and coefficients for compensating the effect of adjacent fuel assemblies in a calculation device to obtain typical values for the present local power distribution compensated with all of the effects. Further, the calculation device compares them with typical values of the present local power distribution to obtain an aimed local power peaking coefficient as the maximum value thereof. According to the present invention, since the local power peaking coefficients can be determined not depending on the combination of the kind of fuels, if the combination of fuel assemblies is increased upon fuel change, the amount of operation therefor is not increased. (Kamimura, M.)

Multi-atom Jaynes-Cummings model with nonlinear effects

International Nuclear Information System (INIS)

Aleixo, Armando Nazareno Faria; Balantekin, Akif Baha; Ribeiro, Marco Antonio Candido

2001-01-01

The standard Jaynes-Cummings (JC) model and its extensions, normally used in quantum optics, idealizes the interaction of matter with electromagnetic radiation by a simple Hamiltonian of a two-level atom coupled to a single bosonic mode. This Hamiltonian has a fundamental importance to the field of quantum optics and it is a central ingredient in the quantized description of any optical system involving the interaction between light and atoms. The JC Hamiltonian defines a molecule, a composite system formed from the coupling of a two-state system and a quantized harmonic oscillator. For this Hamiltonian, mostly the single-particle situation has been studied. This model can also be extended for the situation where one has N two-level systems, which interact only with the electromagnetic radiation. In this case the effects of the spatial distribution of the particles it is not taken into account and the spin angular momentum S-circumflex i of each particle contributes to form a total angular momentum J-circumflex of the system. When one considers the effects due to the spatial variation in the field intensity in a nonlinear medium it is necessary to further add a Kerr term to the standard JC Hamiltonian. This kind of nonlinear JC Hamiltonian is used in the study of micro masers. Another nonlinear variant of the JC model takes the coupling between matter and the radiation to depend on the intensity of the electromagnetic field. This model is interesting since this kind of interaction means that effectively the coupling is proportional to the amplitude of the field representing a very simple case of a nonlinear interaction corresponding to a more realistic physical situation. In this work we solve exactly the problem of the interaction of a N two-level atoms with an electromagnetic radiation when nonlinear effects due to the spatial variation in the field intensity in a nonlinear Kerr medium and the dependence on the intensity of the electromagnetic field on the matter

Friction coefficient dependence on electrostatic tribocharging.

Science.gov (United States)

Burgo, Thiago A L; Silva, Cristiane A; Balestrin, Lia B S; Galembeck, Fernando

2013-01-01

Friction between dielectric surfaces produces patterns of fixed, stable electric charges that in turn contribute electrostatic components to surface interactions between the contacting solids. The literature presents a wealth of information on the electronic contributions to friction in metals and semiconductors but the effect of triboelectricity on friction coefficients of dielectrics is as yet poorly defined and understood. In this work, friction coefficients were measured on tribocharged polytetrafluoroethylene (PTFE), using three different techniques. As a result, friction coefficients at the macro- and nanoscales increase many-fold when PTFE surfaces are tribocharged, but this effect is eliminated by silanization of glass spheres rolling on PTFE. In conclusion, tribocharging may supersede all other contributions to macro- and nanoscale friction coefficients in PTFE and probably in other insulating polymers.

Low-frequency Carbon Radio Recombination Lines. I. Calculations of Departure Coefficients

Energy Technology Data Exchange (ETDEWEB)

Salgado, F.; Morabito, L. K.; Oonk, J. B. R.; Salas, P.; Toribio, M. C.; Röttgering, H. J. A.; Tielens, A. G. G. M. [Leiden Observatory, University of Leiden, P.O. Box 9513, 2300 RA Leiden (Netherlands)

2017-03-10

In the first paper of this series, we study the level population problem of recombining carbon ions. We focus our study on high quantum numbers, anticipating observations of carbon radio recombination lines to be carried out by the Low Frequency Array. We solve the level population equation including angular momentum levels with updated collision rates up to high principal quantum numbers. We derive departure coefficients by solving the level population equation in the hydrogenic approximation and including low-temperature dielectronic capture effects. Our results in the hydrogenic approximation agree well with those of previous works. When comparing our results including dielectronic capture, we find differences that we ascribe to updates in the atomic physics (e.g., collision rates) and to the approximate solution method of the statistical equilibrium equations adopted in previous studies. A comparison with observations is discussed in an accompanying article, as radiative transfer effects need to be considered.

The Effect of a Variable Disc Pad Friction Coefficient for the Mechanical Brake System of a Railway Vehicle

Science.gov (United States)

Lee, Nam-Jin; Kang, Chul-Goo

2015-01-01

A brake hardware-in-the-loop simulation (HILS) system for a railway vehicle is widely applied to estimate and validate braking performance in research studies and field tests. When we develop a simulation model for a full vehicle system, the characteristics of all components are generally properly simplified based on the understanding of each component’s purpose and interaction with other components. The friction coefficient between the brake disc and the pad used in simulations has been conventionally considered constant, and the effect of a variable friction coefficient is ignored with the assumption that the variability affects the performance of the vehicle braking very little. However, the friction coefficient of a disc pad changes significantly within a range due to environmental conditions, and thus, the friction coefficient can affect the performance of the brakes considerably, especially on the wheel slide. In this paper, we apply a variable friction coefficient and analyzed the effects of the variable friction coefficient on a mechanical brake system of a railway vehicle. We introduce a mathematical formula for the variable friction coefficient in which the variable friction is represented by two variables and five parameters. The proposed formula is applied to real-time simulations using a brake HILS system, and the effectiveness of the formula is verified experimentally by testing the mechanical braking performance of the brake HILS system. PMID:26267883

The Effect of a Variable Disc Pad Friction Coefficient for the Mechanical Brake System of a Railway Vehicle.

Science.gov (United States)

Lee, Nam-Jin; Kang, Chul-Goo

2015-01-01

A brake hardware-in-the-loop simulation (HILS) system for a railway vehicle is widely applied to estimate and validate braking performance in research studies and field tests. When we develop a simulation model for a full vehicle system, the characteristics of all components are generally properly simplified based on the understanding of each component's purpose and interaction with other components. The friction coefficient between the brake disc and the pad used in simulations has been conventionally considered constant, and the effect of a variable friction coefficient is ignored with the assumption that the variability affects the performance of the vehicle braking very little. However, the friction coefficient of a disc pad changes significantly within a range due to environmental conditions, and thus, the friction coefficient can affect the performance of the brakes considerably, especially on the wheel slide. In this paper, we apply a variable friction coefficient and analyzed the effects of the variable friction coefficient on a mechanical brake system of a railway vehicle. We introduce a mathematical formula for the variable friction coefficient in which the variable friction is represented by two variables and five parameters. The proposed formula is applied to real-time simulations using a brake HILS system, and the effectiveness of the formula is verified experimentally by testing the mechanical braking performance of the brake HILS system.

Strong interaction effects in hadronic atoms

International Nuclear Information System (INIS)

Kaufmann, W.B.

1977-01-01

The WKB method is applied to the calculation of strong interaction-induced level widths and shifts of hadronic atoms. The calculation, while elementary enough for undergraduate quantum mechanics students, gives a good account of kaonic and antiprotonic atom data

Energy transfers between N_2(A"3Σ) nitrogen metastable molecules and oxygen atoms and molecules

International Nuclear Information System (INIS)

De Souza, Antonio Rogerio

1985-01-01

This research thesis aims at determining reaction coefficients for energy transfers between nitrogen in its metastable status and oxygen atoms and molecules, the variation of these coefficients with respect to temperature (mainly in the 200-400 K range), products formed and more particularly branching rates of O("1S) oxygen and of NO_2. Reaction coefficients are experimentally determined by using the technique of post-discharge in flow. The experimental set-up is described and the study of the best operating conditions is reported. In the next part, the author reports the study of the energy transfer between nitrogen in its metastable status N_2(A) and oxygen molecules. Reaction coefficients are determined for the first three vibrational levels. The author then reports the study of the transfer of N_2(A) molecules on oxygen atoms in their fundamental status. Reactions coefficients and their variations are determined for the three first vibrational levels. The author describes the dissociation method and the method of detection of atomic oxygen. A kinetic model is proposed for the analysis of formed products during a post-discharge in flow, and the branching rate for the formation of O("1S) oxygen between 190 and 365 K is determined. The author finally discusses publications on the role of these reactions in the interpretation of some atmospheric phenomena

Direct calculation of 1-octanol-water partition coefficients from adaptive biasing force molecular dynamics simulations.

Science.gov (United States)

Bhatnagar, Navendu; Kamath, Ganesh; Chelst, Issac; Potoff, Jeffrey J

2012-07-07

The 1-octanol-water partition coefficient log K(ow) of a solute is a key parameter used in the prediction of a wide variety of complex phenomena such as drug availability and bioaccumulation potential of trace contaminants. In this work, adaptive biasing force molecular dynamics simulations are used to determine absolute free energies of hydration, solvation, and 1-octanol-water partition coefficients for n-alkanes from methane to octane. Two approaches are evaluated; the direct transfer of the solute from 1-octanol to water phase, and separate transfers of the solute from the water or 1-octanol phase to vacuum, with both methods yielding statistically indistinguishable results. Calculations performed with the TIP4P and SPC∕E water models and the TraPPE united-atom force field for n-alkanes show that the choice of water model has a negligible effect on predicted free energies of transfer and partition coefficients for n-alkanes. A comparison of calculations using wet and dry octanol phases shows that the predictions for log K(ow) using wet octanol are 0.2-0.4 log units lower than for dry octanol, although this is within the statistical uncertainty of the calculation.

Highly excited atoms

International Nuclear Information System (INIS)

Kleppner, D.; Littman, M.G.; Zimmerman, M.L.

1981-01-01

Highly excited atoms are often called Rydberg atoms. These atoms have a wealth of exotic properties which are discussed. Of special interest, are the effects of electric and magnetic fields on Rydberg atoms. Ordinary atoms are scarcely affected by an applied electric or magnetic field; Rydberg atoms can be strongly distorted and even pulled apart by a relatively weak electric field, and they can be squeezed into unexpected shapes by a magnetic field. Studies of the structure of Rydberg atoms in electric and magnetic fields have revealed dramatic atomic phenomena that had not been observed before

Interferometry with atoms

International Nuclear Information System (INIS)

Helmcke, J.; Riehle, F.; Witte, A.; Kisters, T.

1992-01-01

Physics and experimental results of atom interferometry are reviewed and several realizations of atom interferometers are summarized. As a typical example of an atom interferometer utilizing the internal degrees of freedom of the atom, we discuss the separated field excitation of a calcium atomic beam using four traveling laser fields and demonstrate the Sagnac effect in a rotating interferometer. The sensitivity of this interferometer can be largely increased by use of slow atoms with narrow velocity distribution. We therefore furthermore report on the preparation of a laser cooled and deflected calcium atomic beam. (orig.)

The Josephson effect in atomic contacts

International Nuclear Information System (INIS)

Chauvin, M.

2005-11-01

The Josephson effect appears when a weak-link establishes phase coherence between two superconductors. A unifying theory of this effect emerged in the 90's within the framework of mesoscopic physics. Based on two cornerstone concepts, conduction channels and Andreev reflection, it predicts the current-phase relation for the most basic weak-link: a single conduction channel of arbitrary transmission. This thesis illustrates this mesoscopic point of view with experiments on superconducting atomic size contacts. In particular, we have focused on the supercurrent peak around zero voltage, put into evidence the ac Josephson currents in a contact under constant bias voltage (Shapiro resonances and photon assisted multiple Andreev reflections), and performed direct measurements of the current-phase relation. (author)

Investigation of the self tempering effect of martensite by means of atom probe tomography

International Nuclear Information System (INIS)

Sackl, Stephanie; Clemens, Helmut; Primig, Sophie

2015-01-01

Self-tempering effects can be observed in steels with relatively high martensite start temperatures. After the formation of the first martensitic laths, carbon is able to diffuse in these laths during cooling, which can be attributed to sufficiently high temperatures. This effect cannot be observed in laths formed at lower temperatures. In steels containing up to 0.2 m.-% carbon, up to 90 % of the carbon atoms in the martensite segregate to dislocations during quenching. Due to its atomic resolution and sensitivity with respect to light elements, atom probe tomography is very well suited for the investigation of this phenomenon. In this study, the self-tempering effect in a quenched and tempered steel 42CrMo4 with a martensite start temperature of 310 C is investigated by means of atom probe tomography.

Determination of total selenium in nutritional supplements and selenised yeast by Zeeman-effect graphite furnace atomic absorption spectrometry

DEFF Research Database (Denmark)

Larsen, Erik Huusfeldt; Ekelund, J.

1989-01-01

A method for the determination of total selenium in nutritional supplements and selenised yeast is described. The samples were ashed in nitric acid. Hydrochloric acid was used to prevent precipitation of, in particular, iron salts. After appropriate dilutions, the selenium was determined by Zeeman......-effect background corrected graphite furnace atomic absorption spectrometry. A furnace ashing step at 1100 °C was necessary in order to obtain a total recovery of selenium when present in the organic form. Palladium nitrate-magnesium nitrate was used as a matrix modifier. Independent methods were used to determine...... the content of selenium in a selenised yeast check sample. Accuracy was assured using this sample and by recovery experiments. Between-day random error showed a coefficient of variation of 4.2%. Results from the analysis of eight different commercial supplements were in good agreement with declared contents....

Friction coefficient dependence on electrostatic tribocharging

Science.gov (United States)

Burgo, Thiago A. L.; Silva, Cristiane A.; Balestrin, Lia B. S.; Galembeck, Fernando

2013-01-01

Friction between dielectric surfaces produces patterns of fixed, stable electric charges that in turn contribute electrostatic components to surface interactions between the contacting solids. The literature presents a wealth of information on the electronic contributions to friction in metals and semiconductors but the effect of triboelectricity on friction coefficients of dielectrics is as yet poorly defined and understood. In this work, friction coefficients were measured on tribocharged polytetrafluoroethylene (PTFE), using three different techniques. As a result, friction coefficients at the macro- and nanoscales increase many-fold when PTFE surfaces are tribocharged, but this effect is eliminated by silanization of glass spheres rolling on PTFE. In conclusion, tribocharging may supersede all other contributions to macro- and nanoscale friction coefficients in PTFE and probably in other insulating polymers. PMID:23934227

A method for determination mass absorption coefficient of gamma rays by Compton scattering

International Nuclear Information System (INIS)

El Abd, A.

2014-01-01

A method was proposed for determination mass absorption coefficient of gamma rays for compounds, alloys and mixtures. It is based on simulating interaction processes of gamma rays with target elements having atomic numbers from Z=1 to Z=92 using the MCSHAPE software. Intensities of Compton scattered gamma rays at saturation thicknesses and at a scattering angle of 90° were calculated for incident gamma rays of different energies. The obtained results showed that the intensity of Compton scattered gamma rays at saturations and mass absorption coefficients can be described by mathematical formulas. These were used to determine mass absorption coefficients for compound, alloys and mixtures with the knowledge of their Compton scattered intensities. The method was tested by calculating mass absorption coefficients for some compounds, alloys and mixtures. There is a good agreement between obtained results and calculated ones using WinXom software. The advantages and limitations of the method were discussed. - Highlights: • Compton scattering of γ−rays was used for determining mass absorption coefficient. • Scattered intensities were determined by the MCSHAPE software. • Mass absorption coefficients were determined for some compounds, mixtures and alloys. • Mass absorption coefficients were calculated by Winxcom software. • Good agreements were found between determined and calculated results

Organ and effective dose coefficients for cranial and caudal irradiation geometries: photons

International Nuclear Information System (INIS)

Veinot, K.G.; Eckerman, K.F.; Hertel, N.E.

2016-01-01

With the introduction of new recommendations of the International Commission on Radiological Protection (ICRP) in Publication 103, the methodology for determining the protection quantity, effective dose, has been modified. The modifications include changes to the defined organs and tissues, the associated tissue weighting factors, radiation weighting factors and the introduction of reference sex-specific computational phantoms. Computations of equivalent doses in organs and tissues are now performed in both the male and female phantoms and the sex-averaged values used to determine the effective dose. Dose coefficients based on the ICRP 103 recommendations were reported in ICRP Publication 116, the revision of ICRP Publication 74 and ICRU Publication 57. The coefficients were determined for the following irradiation geometries: anterior-posterior (AP), posterior-anterior (PA), right and left lateral (RLAT and LLAT), rotational (ROT) and isotropic (ISO). In this work, the methodology of ICRP Publication 116 was used to compute dose coefficients for photon irradiation of the body with parallel beams directed upward from below the feet (caudal) and directed downward from above the head (cranial). These geometries may be encountered in the workplace from personnel standing on contaminated surfaces or volumes and from overhead sources. Calculations of organ and tissue kerma and absorbed doses for caudal and cranial exposures to photons ranging in energy from 10 keV to 10 GeV have been performed using the MCNP6.1 radiation transport code and the adult reference phantoms of ICRP Publication 110. As with calculations reported in ICRP 116, the effects of charged-particle transport are evident when compared with values obtained by using the kerma approximation. At lower energies the effective dose per particle fluence for cranial and caudal exposures is less than AP orientations while above ∼30 MeV the cranial and caudal values are greater. (authors)

Effect of Non-Equilibrium Condensation on Force Coefficients in Transonic Airfoil Flow

Energy Technology Data Exchange (ETDEWEB)

Choi, Seung Min; Kang, Hui Bo; Kwon, Young Doo; Kwon, Soon Bum [Kyungpook National Univeristy, Daegu (Korea, Republic of); Jeon, Heung Kyun [Daegu Health College, Daegu (Korea, Republic of)

2014-12-15

The present study investigated the effects of non-equilibrium condensation with the angle of attack on the coefficients of pressure, lift, and drag in the transonic 2-D flow of NACA0012 by numerical analysis of the total variation diminishing (TVD) scheme. At T{sub 0}=298 K and α=3°, the lift coefficients for M{sub ∞}=0.78 and 0.81 decreased monotonically with increasing Φ{sub 0}. In contrast, for M{sub ∞} corresponding to the Mach number of the force break, CL increased with Φ{sub 0}. For α=3° and Φ{sub 0}=0%, CD increased markedly as M{sub ∞} increased. However, at Φ{sub 0}=60% and α=3°, which corresponded to the case of the condensation having a large influence, CD increased slightly as M{sub ∞} increased. The decrease in profile drag by non-equilibrium condensation grew as the angle of attack and stagnation relative humidity increased for the same free stream transonic Mach number. At Φ{sub 0}=0%, the coefficient of the wave drag increased with the attack angle and free stream Mach number. When Φ{sub 0}>50%, the coefficient of the wave drag decreased as α and M{sub ∞} increased. Lowering Φ{sub 0} and increasing M{sub ∞} increased the maximum Mach number.

Van der Waals coefficients beyond the classical shell model

Energy Technology Data Exchange (ETDEWEB)

Tao, Jianmin, E-mail: jianmint@sas.upenn.edu [Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323 (United States); Fang, Yuan; Hao, Pan [Department of Physics and Engineering Physics, Tulane University, New Orleans, Louisiana 70118 (United States); Scuseria, G. E. [Department of Chemistry and Department of Physics and Astronomy, Rice University, Houston, Texas 77251-1892, USA and Department of Chemistry, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Ruzsinszky, Adrienn; Perdew, John P. [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States)

2015-01-14

Van der Waals (vdW) coefficients can be accurately generated and understood by modelling the dynamic multipole polarizability of each interacting object. Accurate static polarizabilities are the key to accurate dynamic polarizabilities and vdW coefficients. In this work, we present and study in detail a hollow-sphere model for the dynamic multipole polarizability proposed recently by two of the present authors (JT and JPP) to simulate the vdW coefficients for inhomogeneous systems that allow for a cavity. The inputs to this model are the accurate static multipole polarizabilities and the electron density. A simplification of the full hollow-sphere model, the single-frequency approximation (SFA), circumvents the need for a detailed electron density and for a double numerical integration over space. We find that the hollow-sphere model in SFA is not only accurate for nanoclusters and cage molecules (e.g., fullerenes) but also yields vdW coefficients among atoms, fullerenes, and small clusters in good agreement with expensive time-dependent density functional calculations. However, the classical shell model (CSM), which inputs the static dipole polarizabilities and estimates the static higher-order multipole polarizabilities therefrom, is accurate for the higher-order vdW coefficients only when the interacting objects are large. For the lowest-order vdW coefficient C{sub 6}, SFA and CSM are exactly the same. The higher-order (C{sub 8} and C{sub 10}) terms of the vdW expansion can be almost as important as the C{sub 6} term in molecular crystals. Application to a variety of clusters shows that there is strong non-additivity of the long-range vdW interactions between nanoclusters.

Optical polarization modulation by competing atomic coherence effects in a degenerate four-level Yb atomic system

International Nuclear Information System (INIS)

Park, Sung Jong; Park, Chang Yong; Yoon, Tai Hyun

2005-01-01

A scheme of optical polarization modulation of a linearly polarized infrared probe field is studied in a degenerate four-level Yb atomic system. We have observed an anomalous transmission spectra of two circular polarization components of the probe field exhibiting an enhanced two-photon absorption and a three-photon gain with comparable magnitude, leading to the lossless transmission and enhanced circular dichroism. We carried out a proof-of-principle experiment of fast optical polarization modulation in such a system by modulating the polarization state of the coupling field. The observed enhanced two-photon absorption and three-photon gain of the probe field are due to the result of competing atomic coherence effects

Quantitative Analysis of Isolated Single-Wall Carbon Nanotubes with Their Molar Absorbance Coefficients

Directory of Open Access Journals (Sweden)

Shota Kuwahara

2014-01-01

Full Text Available The molar absorbance coefficients of metallic, semiconducting, and (6,5 chirality enriched single-wall carbon nanotubes were evaluated by a spray technique combined with atomic force microscopy. Single-wall carbon nanotubes with isolated and a single predominant electronic type were obtained by using the density-gradient ultracentrifugation technique. In the visible region, all coefficients had similar values around 2–5 × 109/mL mol−1 cm−1, independent of their diameter distribution and the electronic types of single-wall carbon nanotubes, and the εS22/εM11  and εS11/εM11 were estimated to be 1.0 and 4.0, respectively. The coefficient strongly depends on the length of single-wall carbon nanotubes, independent of their electronic types and chirality.

Three-atom clusters

International Nuclear Information System (INIS)

Pen'kov, F.M.

1998-01-01

The Born-Oppenheimer approximation is used to obtain an equation for the effective interaction in three atoms bound by a single electron. For low binding energies in an 'electron + atom' pair, long-range forces arise between the atoms, leading to bound states when the size of the three-atom cluster is a few tens of angstrom. A system made of alkali-metal atoms is considered as an example

Prediction of octanol-water partition coefficients of organic compounds by multiple linear regression, partial least squares, and artificial neural network.

Science.gov (United States)

Golmohammadi, Hassan

2009-11-30

A quantitative structure-property relationship (QSPR) study was performed to develop models those relate the structure of 141 organic compounds to their octanol-water partition coefficients (log P(o/w)). A genetic algorithm was applied as a variable selection tool. Modeling of log P(o/w) of these compounds as a function of theoretically derived descriptors was established by multiple linear regression (MLR), partial least squares (PLS), and artificial neural network (ANN). The best selected descriptors that appear in the models are: atomic charge weighted partial positively charged surface area (PPSA-3), fractional atomic charge weighted partial positive surface area (FPSA-3), minimum atomic partial charge (Qmin), molecular volume (MV), total dipole moment of molecule (mu), maximum antibonding contribution of a molecule orbital in the molecule (MAC), and maximum free valency of a C atom in the molecule (MFV). The result obtained showed the ability of developed artificial neural network to prediction of partition coefficients of organic compounds. Also, the results revealed the superiority of ANN over the MLR and PLS models. Copyright 2009 Wiley Periodicals, Inc.

A method for determination mass absorption coefficient of gamma rays by Compton scattering.

Science.gov (United States)

El Abd, A

2014-12-01

A method was proposed for determination mass absorption coefficient of gamma rays for compounds, alloys and mixtures. It is based on simulating interaction processes of gamma rays with target elements having atomic numbers from Z=1 to Z=92 using the MCSHAPE software. Intensities of Compton scattered gamma rays at saturation thicknesses and at a scattering angle of 90° were calculated for incident gamma rays of different energies. The obtained results showed that the intensity of Compton scattered gamma rays at saturations and mass absorption coefficients can be described by mathematical formulas. These were used to determine mass absorption coefficients for compound, alloys and mixtures with the knowledge of their Compton scattered intensities. The method was tested by calculating mass absorption coefficients for some compounds, alloys and mixtures. There is a good agreement between obtained results and calculated ones using WinXom software. The advantages and limitations of the method were discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

A search for genetic effects of atomic bomb radiation on the growth and development of the F1 generation, 5

International Nuclear Information System (INIS)

Furusho, Toshiyuki; Otake, Masanori.

1985-09-01

In a search for possible genetic effects of atomic bomb radiation on the stature of the offspring of A-bomb survivors, a comparative study was made on elementary school pupils 6 to 11 years of age born to exposed and nonexposed parents in Hiroshima. The mean stature and variance for the offspring were determined, and the covariance and correlation were calculated in a comparison between either the values for one parent or the sum for both parents, and those for the offspring. Only a few of the differences in mean stature between exposed and nonexposed groups were statistically significant, but in all instances the difference tends to be larger in the exposed group than in the nonexposed group. Also, only a few of the differences in variance between the two groups were statistically significant, but the variance value of the exposed group was higher. Concerning the difference in correlation (Z transformation) between the two groups, only a very few were statistically significant, but the values of the exposed group were higher. A few of the regression coefficient of variance values were statistically significant and the signs of these regression coefficients were not always in agreement. (author)

Hot atom chemistry of monovalent atoms in organic condensed phases

International Nuclear Information System (INIS)

Stoecklin, G.

1975-01-01

The advantages and disadvantages of hot atom studies in condensed organic phases are considered, and recent advances in condensed phase organic hot atom chemistry of recoil tritium and halogen atoms are discussed. Details are presented of the present status and understanding of liquid phase hot atom chemistry and also that of organic solids. The consequences of the Auger effect in condensed organic systems are also considered. (author)

Hiroshima - the effects of the atom bomb

International Nuclear Information System (INIS)

McClelland, M.

1977-01-01

The author, a nurse, describes her personal impressions of a visit to Hiroshima in 1977 and of the medical and nursing facilities available for atomic bomb survivors in Japan. The findings of the Radiation Effects Research Foundation are briefly summarized. Hiroshima's Red Cross Hospital, recently re-built, cares for some of the survivors. The problems of discrimination against the survivors in employment and in society are discussed. (U.K.)

Atomic Data for the CHIANTI Database

Science.gov (United States)

Bhatia, Anand K.; Landi, E.

2012-01-01

The CHIANTI spectral code consists of an atomic database and a suite of computer programs to calculate the optically thin spectrum of astrophysical objects and to carry out spectroscopic plasma diagnostics. The database includes atomic energy levels, wavelengths, radiative transition rates, collisional excitation, ionization and recombination rate coefficients, as well as data to calculate free-free, free-bound and two-photon continuum emission. In recent years, we have been pursuing a program to calculate atomic data for ions whose lines have been observed in astrophysical spectra but have been neglected in the literature, and to provide CHIANTI with all the data necessary to predict line intensities. There are two types of such ions: those for which calculations are available for low-energy configurations but not for high-energy configurations (i.e., C-like, N-like, O-like systems), and ions that have never or only seldom been studied. This poster will summarize the current status of this project and indicate the future activities .

The system of radiation dose assessment and dose conversion coefficients in the ICRP and FGR

Energy Technology Data Exchange (ETDEWEB)

Kim, So Ra; Min, Byung Il; Park, Kihyun; Yang, Byung Mo; Suh, Kyung Suk [Nuclear Environmental Safety Research Division, Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2016-12-15

The International Commission on Radiological Protection (ICRP) recommendations and the Federal Guidance Report (FGR) published by the U.S. Environmental Protection Agency (EPA) have been widely applied worldwide in the fields of radiation protection and dose assessment. The dose conversion coefficients of the ICRP and FGR are widely used for assessing exposure doses. However, before the coefficients are used, the user must thoroughly understand the derivation process of the coefficients to ensure that they are used appropriately in the evaluation. The ICRP provides recommendations to regulatory and advisory agencies, mainly in the form of guidance on the fundamental principles on which appropriate radiological protection can be based. The FGR provides federal and state agencies with technical information to assist their implementation of radiation protection programs for the U.S. population. The system of radiation dose assessment and dose conversion coefficients in the ICRP and FGR is reviewed in this study. A thorough understanding of their background is essential for the proper use of dose conversion coefficients. The FGR dose assessment system was strongly influenced by the ICRP and the U.S. National Council on Radiation Protection and Measurements (NCRP), and is hence consistent with those recommendations. Moreover, the ICRP and FGR both used the scientific data reported by Biological Effects of Ionizing Radiation (BEIR) and United Nations Scientific Committee on the Effects of Atomic Radiation (UNSCEAR) as their primary source of information. The difference between the ICRP and FGR lies in the fact that the ICRP utilized information regarding a population of diverse races, whereas the FGR utilized data on the American population, as its goal was to provide guidelines for radiological protection in the US. The contents of this study are expected to be utilized as basic research material in the areas of radiation protection and dose assessment.

The system of radiation dose assessment and dose conversion coefficients in the ICRP and FGR

International Nuclear Information System (INIS)

Kim, So Ra; Min, Byung Il; Park, Kihyun; Yang, Byung Mo; Suh, Kyung Suk

2016-01-01

The International Commission on Radiological Protection (ICRP) recommendations and the Federal Guidance Report (FGR) published by the U.S. Environmental Protection Agency (EPA) have been widely applied worldwide in the fields of radiation protection and dose assessment. The dose conversion coefficients of the ICRP and FGR are widely used for assessing exposure doses. However, before the coefficients are used, the user must thoroughly understand the derivation process of the coefficients to ensure that they are used appropriately in the evaluation. The ICRP provides recommendations to regulatory and advisory agencies, mainly in the form of guidance on the fundamental principles on which appropriate radiological protection can be based. The FGR provides federal and state agencies with technical information to assist their implementation of radiation protection programs for the U.S. population. The system of radiation dose assessment and dose conversion coefficients in the ICRP and FGR is reviewed in this study. A thorough understanding of their background is essential for the proper use of dose conversion coefficients. The FGR dose assessment system was strongly influenced by the ICRP and the U.S. National Council on Radiation Protection and Measurements (NCRP), and is hence consistent with those recommendations. Moreover, the ICRP and FGR both used the scientific data reported by Biological Effects of Ionizing Radiation (BEIR) and United Nations Scientific Committee on the Effects of Atomic Radiation (UNSCEAR) as their primary source of information. The difference between the ICRP and FGR lies in the fact that the ICRP utilized information regarding a population of diverse races, whereas the FGR utilized data on the American population, as its goal was to provide guidelines for radiological protection in the US. The contents of this study are expected to be utilized as basic research material in the areas of radiation protection and dose assessment

Obtaining the general forms of the effective coefficients of laminate magneto-electro - elastic

International Nuclear Information System (INIS)

Cabañas, J. H.; Otero, A.; Castillero, B.; Rodríguez, R.

2008-01-01

In this work using the asymptotic homogenization method obtained general expressions for the calculation of the effective characteristics of magnetoelectro-elastic laminates with layers of any symmetry. You will reach an array of auxiliary functions for determining the effective coefficients for a serial connection and displays a result similar to the case of parallel connection.

Recommended Data on the Electron Impact Ionization of Atoms and Ions: Fluorine to Nickel

International Nuclear Information System (INIS)

Lennon, M.A.; Bell, K.L.; Gilbody, H.B.; Hughes, J.G.; Kingston, A.E.; Murray, M.J.; Smith, F.J.

1988-01-01

Experimental and theoretical cross-section data for electron impact ionization of atoms and ions from fluorine to nickel has been assessed and earlier recommendations for light atoms and ions have been revised. Based on this assessment and, in the absence of any data, on the classical scaling laws a recommended cross section has been produced for each species. This has been used to evaluate recommended Maxwellian rate coefficients over a wide range of temperatures. Convenient analytic expressions have been obtained for the recommended cross sections and rate coefficients. The data are presented in both graphical and tabular form and estimates of the reliability of the recommended data are given

Effect of the nuclear charge of a fast structural ion on its internal effective stopping in collisions with atoms

Energy Technology Data Exchange (ETDEWEB)

Gusarevich, E. S., E-mail: gusarevich@gmail.com [Lomonosov Nothern (Arctic) Federal University (Russian Federation)

2017-02-15

The energy losses of fast structural ions in collisions with atoms have been considered in the eikonal approximation. The structural ions are ions consisting of a nucleus and a certain number of electrons bound to it. The effect of nuclear charge Z of the ion on its effective deceleration κ{sup (p)} (energy losses associated with excitation of only intrinsic ion shells) has been analyzed. It is shown that the allowance for the interaction of an atom with the ion nucleus for Z{sub a}Z/v > 1, where Z{sub a} is the charge of the atomic nucleus and v is the velocity of collisions in atomic units, considerably affects the value of κ{sup (p)}, which generally necessitates taking into account nonperturbatively the effect of both charges Z{sub a} and Z on κ{sup (p)}.

Nuclear data for the calculation of thermal reactor reactivity coefficients

International Nuclear Information System (INIS)

1989-01-01

On its 15th meeting in Vienna, 16-20 June 1986, the International Nuclear Data Committee (INDC) considered it important to review the accuracy with which changes in thermal reactor reactivity resulting from changes in temperature and coolant density can be predicted. It was noted that reactor physicists in several countries had to adjust the thermal neutron cross-section data base in order to reproduce measured reactivity coefficients. Consequently, it appeared to be essential to examine the consistency of the integral and differential cross-section data and to make all the information available which has a bearing on reactivity coefficient prediction. Following the recommendation of the INDC, the Nuclear Data Section of the International Atomic Energy Agency, therefore, convened the Advisory Group Meeting on Nuclear Data for the Calculation of Thermal Reaction Reactivity Coefficients, in Vienna, Austria, 7-10 Dec. 1987. The Conclusions and Recommendations of the meeting together with the papers presented, are submitted in the present document. A separate abstract was prepared for each of these 12 papers. Refs, figs and tabs

Gamma-ray attenuation coefficients in some heavy metal oxide borate glasses at 662 keV

International Nuclear Information System (INIS)

Khanna, A.; Bhatti, S.S.; Singh, K.J.; Thind, K.S.

1996-01-01

The linear attenuation coefficient (μ) and mass attenuation coefficients (μ/ρ) of glasses in three systems: xPbO(1-x)B 2 O 3 , 0.25PbO.xCdO(0.75-x)B 2 O 3 and xBi 2 O 3 (1-x)B 2 O 3 were measured at 662 keV. Appreciable variations were noted in the attenuation coefficients due to changes in the chemical composition of glasses. In addition to this, absorption cross-sections per atom were also calculated. A comparison of shielding properties of these glasses with standar d shielding materials like lead, lead glass and concrete has proven that these glasses have a potential application as transparent radiation shielding. (orig.)

Theory of inelastic effects in resonant atom-surface scattering

International Nuclear Information System (INIS)

Evans, D.K.

1983-01-01

The progress of theoretical and experimental developments in atom-surface scattering is briefly reviewed. The formal theory of atom-surface resonant scattering is reviewed and expanded, with both S and T matrix approaches being explained. The two-potential formalism is shown to be useful for dealing with the problem in question. A detailed theory based on the S-matrix and the two-potential formalism is presented. This theory takes account of interactions between the incident atoms and the surface phonons, with resonant effects being displayed explicitly. The Debye-Waller attenuation is also studied. The case in which the atom-surface potential is divided into an attractive part V/sub a/ and a repulsive part V/sub r/ is considered at length. Several techniques are presented for handling the scattering due to V/sub r/, for the case in which V/sub r/ is taken to be the hard corrugated surface potential. The theory is used to calculate the scattered intensities for the system 4 He/LiF(001). A detailed comparison with experiment is made, with polar scans, azimuthal scans, and time-of-flight measurements being considered. The theory is seen to explain the location and signature of resonant features, and to provide reasonable overall agreement with the experimental results

Organ and Effective Dose Coefficients for Cranial and Caudal Irradiation Geometries: Neutrons

Science.gov (United States)

Veinot, K. G.; Eckerman, K. F.; Hertel, N. E.; Hiller, M. M.

2017-09-01

With the introduction of new recommendations by ICRP Publication 103, the methodology for determining the protection quantity, effective dose, has been modified. The modifications include changes to the defined organs and tissues, the associated tissue weighting factors, radiation weighting factors, and the introduction of reference sex-specific computational phantoms (ICRP Publication 110). Computations of equivalent doses in organs and tissues are now performed in both the male and female phantoms and the sex-averaged values used to determine the effective dose. Dose coefficients based on the ICRP 103 recommendations were reported in ICRP Publication 116, the revision of ICRP Publication 74 and ICRU Publication 57. The coefficients were determined for the following irradiation geometries: anterior-posterior (AP), posterior-anterior (PA), right and left lateral (RLAT and LLAT), rotational (ROT), and isotropic (ISO). In this work, the methodology of ICRP Publication 116 was used to compute dose coefficients for neutron irradiation of the body with parallel beams directed upward from below the feet (caudal) and directed downward from above the head (cranial). These geometries may be encountered in the workplace from personnel standing on contaminated surfaces or volumes and from overhead sources. Calculations of organ and tissue absorbed doses for caudal and cranial exposures to neutrons ranging in energy from 10-9 MeV to 10 GeV have been performed using the MCNP6 radiation transport code and the adult reference voxel phantoms of ICRP Publication 110. At lower energies the effective dose per particle fluence for cranial and caudal exposures is less than AP orientations while above about 30 MeV the cranial and caudal values are greater.

Atomic data for fusion

Energy Technology Data Exchange (ETDEWEB)

Hunter, H.T.; Kirkpatrick, M.I.; Alvarez, I.; Cisneros, C.; Phaneuf, R.A. (eds.); Barnett, C.F.

1990-07-01

This report provides a handbook of recommended cross-section and rate-coefficient data for inelastic collisions between hydrogen, helium and lithium atoms, molecules and ions, and encompasses more than 400 different reactions of primary interest in fusion research. Published experimental and theoretical data have been collected and evaluated, and the recommended data are presented in tabular, graphical and parametrized form. Processes include excitation and spectral line emission, charge exchange, ionization, stripping, dissociation and particle interchange reactions. The range of collision energies is appropriate to applications in fusion-energy research.

Atomic data for fusion

International Nuclear Information System (INIS)

Hunter, H.T.; Kirkpatrick, M.I.; Alvarez, I.; Cisneros, C.; Phaneuf, R.A.; Barnett, C.F.

1990-07-01

This report provides a handbook of recommended cross-section and rate-coefficient data for inelastic collisions between hydrogen, helium and lithium atoms, molecules and ions, and encompasses more than 400 different reactions of primary interest in fusion research. Published experimental and theoretical data have been collected and evaluated, and the recommended data are presented in tabular, graphical and parametrized form. Processes include excitation and spectral line emission, charge exchange, ionization, stripping, dissociation and particle interchange reactions. The range of collision energies is appropriate to applications in fusion-energy research

The Kinetics of Oxygen Atom Recombination in the Presence of Carbon Dioxide

Science.gov (United States)

Jamieson, C. S.; Garcia, R. M.; Pejakovic, D.; Kalogerakis, K.

2009-12-01

Understanding processes involving atomic oxygen is crucial for the study and modeling of composition, energy transfer, airglow, and transport dynamics in planetary atmospheres. Significant gaps and uncertainties exist in the understanding of these processes and often the relevant input from laboratory measurements is missing or outdated. We are conducting laboratory experiments to measure the rate coefficient for O + O + CO2 recombination and investigating the O2 excited states produced following the recombination. These measurements will provide key input for a quantitative understanding and reliable modeling of the atmospheres of the CO2 planets and their airglow. An excimer laser providing pulsed output at either 193 nm or 248 nm is employed to produce O atoms by dissociating carbon dioxide, nitrous oxide, or ozone. In an ambient-pressure background of CO2, O atoms recombine in a time scale of a few milliseconds. Detection of laser-induced fluorescence at 845 nm following two-photon excitation near 226 nm monitors the decay of the oxygen atom population. From the temporal evolution of the signal the recombination rate coefficient is extracted. Fluorescence spectroscopy is used to detect the products of O-atom recombination and subsequent relaxation in CO2. This work is supported by the US National Science Foundation’s (NSF) Planetary Astronomy Program. Rosanne Garcia’s participation was funded by the NSF Research Experiences for Undergraduates (REU) Program.

Determination of the Rb atomic number density in dense rubidium vapors by absorption measurements of Rb2 triplet bands

International Nuclear Information System (INIS)

Horvatic, Vlasta; Veza, Damir; Niemax, Kay; Vadla, Cedomil

2008-01-01

A simple and accurate way of determining atom number densities in dense rubidium vapors is presented. The method relies on the experimental finding that the reduced absorption coefficients of the Rb triplet satellite bands between 740 nm and 750 nm and the triplet diffuse band between 600 nm and 610 nm are not temperature dependent in the range between 600 K and 800 K. Therefore, the absolute values of the reduced absorption coefficients of these molecular bands can provide accurate information about atomic number density of the vapor. The rubidium absorption spectrum was measured by spatially resolved white-light absorption in overheated rubidium vapor generated in a heat pipe oven. The absolute values for the reduced absorption coefficients of the triplet bands were determined at lower vapor densities, by using an accurate expression for the reduced absorption coefficient in the quasistatic wing of the Rb D1 line, and measured triplet satellite bands to the resonance wing optical depth ratio. These triplet satellite band data were used to calibrate in absolute scale the reduced absorption coefficients of the triplet diffuse band at higher temperatures. The obtained values for the reduced absorption coefficient of these Rb molecular features can be used for accurate determination of rubidium atomic number densities in the range from about 5 x 10 16 cm -3 to 1 x 10 18 cm -3

Theoretical evaluation of matrix effects on trapped atomic levels

Energy Technology Data Exchange (ETDEWEB)

Das, G.P.; Gruen, D.M.

1986-06-01

We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs.

Theoretical evaluation of matrix effects on trapped atomic levels

International Nuclear Information System (INIS)

Das, G.P.; Gruen, D.M.

1986-06-01

We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs

A slow atomic diffusion process in high-entropy glass-forming metallic melts

Science.gov (United States)

Chen, Changjiu; Wong, Kaikin; Krishnan, Rithin P.; Embs, Jan P.; Chathoth, Suresh M.

2018-04-01

Quasi-elastic neutron scattering has been used to study atomic relaxation processes in high-entropy glass-forming metallic melts with different glass-forming ability (GFA). The momentum transfer dependence of mean relaxation time shows a highly collective atomic transport process in the alloy melts with the highest and lowest GFA. However, a jump diffusion process is the long-range atomic transport process in the intermediate GFA alloy melt. Nevertheless, atomic mobility close to the melting temperature of these alloy melts is quite similar, and the temperature dependence of the diffusion coefficient exhibits a non-Arrhenius behavior. The atomic mobility in these high-entropy melts is much slower than that of the best glass-forming melts at their respective melting temperatures.

Universal Four-Boson System: Dimer-Atom-Atom Efimov Effect and Recombination Reactions

International Nuclear Information System (INIS)

Deltuva, A.

2013-01-01

Recent theoretical developments in the four-boson system with resonant interactions are described. Momentum-space scattering equations for the four-particle transition operators are used. The properties of unstable tetramers with approximate dimer-atom-atom structure are determined. In addition, the three- and four-cluster recombination processes in the four-boson system are studied. (author)

Effect of applied mechanical stress on absorption coefficient of compounds

Energy Technology Data Exchange (ETDEWEB)

Gupta, Manoj Kumar, E-mail: mkgupta.sliet@gmail.com [Department of Applied Sciences, Bhai Gurdas Institute of Engineering and Technology, Sangrur (India); Singh, Gurinderjeet; Dhaliwal, A. S.; Kahlon, K. S. [Department of Physics, Sant Longowal Institute of Engineering & Technology Deemed University, Longowal (Sangrur) India-148106 (India)

2015-08-28

The absorption coefficient of given materials is the parameter required for the basic information. The measurement of absorption coefficient of compounds Al{sub 2}O{sub 3}, CaCO{sub 3}, ZnO{sub 2}, SmO{sub 2} and PbO has been taken at different incident photon energies 26, 59.54, 112, 1173, 1332keV. The studies involve the measurements of absorption coefficient of the self supporting samples prepared under different mechanical stress. This mechanical stress is render in terms of pressure up to 0-6 ton by using hydraulic press. Measurements shows that absorption coefficient of a material is directly proportional to applied mechanical stress on it up to some extent then become independent. Experimentally measured results are in fairly good agreement with in theoretical values obtained from WinXCOM.

Effects of the Substituents of Boron Atoms on Conjugated Polymers Containing B←N Units.

Science.gov (United States)

Liu, Jun; Wang, Tao; Dou, Chuandong; Wang, Lixiang

2018-06-15

Organoboron chemistry is a new tool to tune the electronic structures and properties of conjugated polymers, which are important for applications in organic opto-electronic devices. To investigate the effects of substituents of boron atoms on conjugated polymers, we synthesized three conjugated polymers based on double B←N bridged bipyridine (BNBP) with various substituents on the boron atoms. By changing the substituents from four phenyl groups and two phenyl groups/two fluorine atoms to four fluorine atoms, the BNBP-based polymers show the blue-shifted absorption spectra, decreased LUMO/HOMO energy levels and enhanced electron affinities, as well as the increased electron mobilities. Moreover, these BNBP-based polymers can be used as electron acceptors for all-polymer solar cells. These results demonstrate that the substituents of boron atoms can effectively modulate the electronic properties and applications of conjugated polymers. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Calculation of the Ionization Coefficient in the Townsend Discharge in the Mixture of Argon and Mercury Vapors with Temperature-Dependent Composition

Science.gov (United States)

Bondarenko, G. G.; Dubinina, M. S.; Fisher, M. R.; Kristya, V. I.

2018-04-01

For a hybrid model of the low-current discharge considering, along with direct ionization of the mixture components by electrons, the Penning ionization of mercury atoms by metastable argon atoms, the ionization coefficient in the argon-mercury mixture used in illuminating lamps is calculated. The analytical approximation formula describing the dependence of the ionization coefficient of the mixture on the reduced electric field strength and temperature is obtained for sufficiently wide ranges of their variations, and its accuracy is estimated. It is demonstrated that the discharge ignition voltage calculated using this formula is in agreement with the results of simulation and the available experimental data.

Ubiquitous atom

International Nuclear Information System (INIS)

Spruch, G.M.; Spruch, L.

1974-01-01

The fundamentals of modern physics, including the basic physics and chemistry of the atom, elementary particles, cosmology, periodicity, and recent advances, are surveyed. The biology and chemistry of the life process is discussed to provide a background for considering the effects of atomic particles on living things. The uses of atomic power in space travel, merchant shipping, food preservation, desalination, and nuclear clocks are explored. (Pollut. Abstr.)

Age-dependent conversion coefficients for organ doses and effective doses for external neutron irradiation

International Nuclear Information System (INIS)

Nishizaki, Chihiro; Endo, Akira; Takahashi, Fumiaki

2006-06-01

To utilize dose assessment of the public for external neutron irradiation, conversion coefficients of absorbed doses of organs and effective doses were calculated using the numerical simulation technique for six different ages (adult, 15, 10, 5 and 1 years and newborn), which represent the member of the public. Calculations were performed using six age-specific anthropomorphic phantoms and a Monte Carlo radiation transport code for two irradiation geometries, anterior-posterior and rotational geometries, for 20 incident energies from thermal to 20 MeV. Effective doses defined by the 1990 Recommendation of ICRP were calculated from the absorbed doses in 21 organs. The calculated results were tabulated in the form of absorbed doses and effective doses per unit neutron fluence. The calculated conversion coefficients are used for dose assessment of the public around nuclear facilities and accelerator facilities. (author)

Effect of anomalous transport coefficients on the thermal structure of the storm time auroral ionosphere

International Nuclear Information System (INIS)

Fontheim, E.G.; Ong, R.S.B.; Roble, R.G.; Mayr, H.G.; Hoegy, W.H.; Baron, M.J.; Wickwar, V.B.

1978-01-01

By analyzing an observed storm time auroral electron temperature profile it is shown that anomalous transport effects strongly influence the thermal structure of the disturbed auroral ionosphere. Such anomalous transport effects are a consequence of plasma turbulence, the existence of which has been established by a large number of observations in the auroral ionosphere. The electron and composite ion energy equations are solved with anomalous electron thermal conductivity and parallel electrical resistivity coefficients. The solutions are parameterized with respect to a phenomenological altitude-dependent anomaly coefficient A and are compared with an observed storm time electron temperature profile above Chatanika. The calculated temperature profile for the classical case (A=1)disagrees considerably with the measured profile over most of the altitude range up to 450km. It is shown that an anomaly coefficient with a sharp peak of the order of 10 4 centered aroung the F 2 peak is consistent with observations

Genetic radiation effects of Hiroshima and Nagasaki atomic bombs

International Nuclear Information System (INIS)

Srsen, S.

1984-01-01

A group of researchers examined persons who had survived the Hiroshima and Nagasaki bombs and were irradiated and their progeny with the aim of getting an idea of the genetic effects of these explosions. Teratogenic effects are not discussed. In the lymphocytes of the peripheral blood of persons who had been exposed to high dose irradiation the researchers found a significant increase in chromosomal aberrations by conventional and more recent methods of chromosomal analysis. In parents who had survived the atomic holocaust there were no significant deviations as against the rest of the population in still births, neonatal defects, infant mortality, and mortality of first generation progeny, in neonate weight, the sex ratio, increased occurence of leukosis and chromosomal aberrations in their children. These negative findings in the first generation do not signify that there is no danger from atomic bomb blasts for human kind. They only indicate that the effects of radiation were to small to be found by routine methods or that the methods used were not suitable

Genetic radiation effects of Hiroshima and Nagasaki atomic bombs

Energy Technology Data Exchange (ETDEWEB)

Srsen, S. (Komenskeho Univ., Bratislava (Czechoslovakia). Lekarska Fakulta)

1984-05-01

A group of researchers examined persons who had survived the Hiroshima and Nagasaki bombs and were irradiated and their progeny with the aim of getting an idea of the genetic effects of these explosions. Teratogenic effects are not discussed. In the lymphocytes of the peripheral blood of persons who had been exposed to high dose irradiation the researchers found a significant increase in chromosomal aberrations by conventional and more recent methods of chromosomal analysis. In parents who had survived the atomic holocaust there were no significant deviations as against the rest of the population in still births, neonatal defects, infant mortality, and mortality of first generation progeny, in neonate weight, the sex ratio, increased occurence of leukosis and chromosomal aberrations in their children. These negative findings in the first generation do not signify that there is no danger from atomic bomb blasts for human kind. They only indicate that the effects of radiation were too small to be found by routine methods or that the methods used were not suitable.

Solar-simulator-pumped atomic iodine laser kinetics

Science.gov (United States)

Wilson, H. W.; Raju, S.; Shiu, Y. J.

1983-01-01

The literature contains broad ranges of disagreement in kinetic data for the atomic iodine laser. A kinetic model of a solar-simulator-pumped iodine laser is used to select those kinetic data consistent with recent laser experiments at the Langley Research Center. Analysis of the solar-simulator-pumped laser experiments resulted in the following estimates of rate coefficients: for alkyl radical (n-C3F7) and atomic iodine (I) recombination, 4.3 x 10 to the 11th power (1.9) + or - cu cm/s; for n-C3F7I stabilized atomic iodine recombination (I + I) 3.7 x 10 to the -32nd power (2.3) + or -1 cm to the 6th power/s; and for molecular iodine (I2) quenching, 3.1 x 10 to the -11th power (1.6) + or - 1 cu cm/s. These rates are consistent with the recent measurements.

On the Zeeman Effect in highly excited atoms: 2. Three-dimensional case

International Nuclear Information System (INIS)

Baseia, B.; Medeiros e Silva Filho, J.

1984-01-01

A previous result, found in two-dimensional hydrogen-atoms, is extended to the three-dimensional case. A mapping of a four-dimensional space R 4 onto R 3 , that establishes an equivalence between Coulomb and harmonic potentials, is used to show that the exact solution of the Zeeman effect in highly excited atoms, cannot be reached. (Author) [pt

Excitation and charge transfer in low-energy hydrogen atom collisions with neutral iron

Science.gov (United States)

Barklem, P. S.

2018-05-01

Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multi-channel Landau-Zener model. An extensive calculation including 166 covalent states and 25 ionic states is presented and rate coefficients are calculated for temperatures in the range 1000-20 000 K. The largest rates are found for charge transfer processes to and from two clusters of states around 6.3 and 6.6 eV excitation, corresponding in both cases to active 4d and 5p electrons undergoing transfer. Excitation and de-excitation processes among these two sets of states are also significant. Full Tables and rate coefficient data are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/612/A90

Collisional interaction between metastable neon atoms

International Nuclear Information System (INIS)

Drunen, Wouter Johannes van

2008-01-01

In this thesis, the study of cold gases of neon atoms in different metastable states is described. It contains measurements of the collisional parameters for both the 3s[3/2] 2 and the 3s'[1/2] 0 metastable state and the dependence of the inelastic loss on external fields. Furthermore, the investigation of frequency dependent laser-induced collisions, and the possibility to excite photoassociation resonances is presented. For the measurements described here, neon atoms have been confined in a magnetooptical trap, in a magnetostatic trap, or in an optical dipole trap, respectively. By laser cooling inside the magnetic trap, atomic samples with more than 95 percent occupation of the magnetic substate m J = +2 could be prepared. They have a typical temperature of 0.5 mK, central densities up to 10 11 cm -3 , and a central phase-space density of up to 2.2.10 -7 . After loading the optical dipole trap from the magnetic trap, 2.5.10 6 atoms with typical temperatures of 0.1 mK, and central densities up to 5.10 10 cm -3 were trapped. By evaporative cooling of the atoms in the magnetic trap we could increase the phase-space density by a factor of 200 to 5.10 -5 . Investigating the frequency dependence of laser-induced collisions did not reveal an experimental signature for the excitation of photoassociation resonances. For the 3 D 3 line a frequency dependence of laser enhanced Penning ionization was observed. Measurement of the two-body loss coefficient as function of the magnetic field showed a field dependence of the inelastic loss. These losses increase towards both small and large offset fields. The implementation of an optical dipole trap allowed us to trap the 3 P 0 metastable state. From the trap loss measurements we determined the two-body loss coefficient of the 3 P 0 metastable state for both bosonic isotopes 20 Ne and 22 Ne. For 20 Ne we obtained β=6 +5 -4 .10 -10 cm 3 /s and for 22 Ne β = 11 +7 -6 .10 -10 cm 3 /s. (orig.)

Black-body radiation effects and light shifts in atomic frequency standards

Energy Technology Data Exchange (ETDEWEB)

Pal' chikov, V G; Domnin, Yu S; Novoselov, A V [Institute of Metrology for Time and Space at National Research Institute for Physical-Technical and Radiotechnical Measurements - IMVP GP VNIIFTRI, Mendeleevo, Moscow Region, 141570 (Russian Federation)

2003-04-01

A general method is presented for calculating the higher-order terms of series in powers of the black-body radiation field for the Stark-state wavefunctions, dipole transition matrix elements and corresponding frequency shifts of hyperfine splitting in the ground states for Cs and Rb atoms. A numerical method for calculating the light shifts in Sr atoms is described. It is based on the Green function method for summation over all intermediate states and exact Dirac-Fock wavefunctions for the resonant transitions to the first excited s-, p- and d-states. By comparing the calculated Stark shift with results of measurements employing atomic frequency standards, the black-body radiation effects on the ground state are analysed.

Cancer and non-cancer effects in Japanese atomic bomb survivors

International Nuclear Information System (INIS)

Little, M P

2009-01-01

The survivors of the atomic bombings in Hiroshima and Nagasaki are a general population of all ages and sexes and, because of the wide and well characterised range of doses received, have been used by many scientific committees (International Commission on Radiological Protection (ICRP), United Nations Scientific Committee on the Effects of Atomic Radiation (UNSCEAR), Biological Effects of Ionizing Radiations (BEIR)) as the basis of population cancer risk estimates following radiation exposure. Leukaemia was the first cancer to be associated with atomic bomb radiation exposure, with preliminary indications of an excess among the survivors within the first five years after the bombings. An excess of solid cancers became apparent approximately ten years after radiation exposure. With increasing follow-up, excess risks of most cancer types have been observed, the major exceptions being chronic lymphocytic leukaemia, and pancreatic, prostate and uterine cancer. For most solid cancer sites a linear dose response is observed, although in the latest follow-up of the mortality data there is evidence (p = 0.10) for an upward curvature in the dose response for all solid cancers. The only cancer sites which exhibit (upward) curvature in the dose response are leukaemia, and non-melanoma skin and bone cancer. For leukaemia the dose response is very markedly upward curving, indeed largely describable as a pure quadratic dose response, particularly in the low dose (0-2 Sv) range. Even 55 years after the bombings over 40% of the Life Span Study cohort remain alive, so continued follow-up of this group is vital for completing our understanding of long-term radiation effects in people. In general, the relative risks per unit dose among the Japanese atomic bomb survivors are greater than those among comparable subsets in studies of medically exposed individuals. Cell sterilisation largely accounts for the discrepancy in relative risks between these two populations, although other

Variation in aerodynamic coefficients with altitude

Directory of Open Access Journals (Sweden)

Faiza Shahid

Full Text Available Precise aerodynamics performance prediction plays key role for a flying vehicle to get its mission completed within desired accuracy. Aerodynamic coefficients for same Mach number can be different at different altitude due to difference in Reynolds number. Prediction of these aerodynamics coefficients can be made through experiments, analytical solution or Computational Fluid Dynamics (CFD. Advancements in computational power have generated the concept of using CFD as a virtual Wind Tunnel (WT, hence aerodynamic performance prediction in present study is based upon CFD (numerical test rig. Simulations at different altitudes for a range of Mach numbers with zero angle of attack are performed to predict axial force coefficient behavior with altitude (Reynolds number. Similar simulations for a fixed Mach number ‘3’ and a range of angle of attacks are also carried out to envisage the variation in normal force and pitching moment coefficients with altitude (Reynolds number. Results clearly depict that the axial force coefficient is a function of altitude (Reynolds number and increase as altitude increases, especially for subsonic region. Variation in axial force coefficient with altitude (Reynolds number slightly increases for larger values of angle of attacks. Normal force and pitching moment coefficients do not depend on altitude (Reynolds number at smaller values of angle of attacks but show slight decrease as altitude increases. Present study suggests that variation of normal force and pitching moment coefficients with altitude can be neglected but the variation of axial force coefficient with altitude should be considered for vehicle fly in dense atmosphere. It is recommended to continue this study to more complex configurations for various Mach numbers with side slip and real gas effects. Keywords: Mach number, Reynolds number, Blunt body, Altitude effect, Angle of attacks

Angular distribution and atomic effects in condensed phase photoelectron spectroscopy

International Nuclear Information System (INIS)

Davis, R.F.

1981-11-01

A general concept of condensed phase photoelectron spectroscopy is that angular distribution and atomic effects in the photoemission intensity are determined by different mechanisms, the former being determined largely by ordering phenomena such as crystal momentum conservation and photoelectron diffraction while the latter are manifested in the total (angle-integrated) cross section. In this work, the physics of the photoemission process is investigated in several very different experiments to elucidate the mechanisms of, and correlation between, atomic and angular distribution effects. Theoretical models are discussed and the connection betweeen the two effects is clearly established. The remainder of this thesis, which describes experiments utilizing both angle-resolved and angle-integrated photoemission in conjunction with synchrotron radiation in the energy range 6 eV less than or equal to h ν less than or equal to 360 eV and laboratory sources, is divided into three parts

Monitoring device for local power peaking coefficient

International Nuclear Information System (INIS)

Mitsuhashi, Ishi

1987-01-01

Purpose: To monitor the local power peaking coefficients obtained by the method not depending on the combination of fuel types. Method: A plurality of representative values for the local power distribution determined by the nuclear constant calculation for one fuel assembly are memorized regarding each of the burn-up degree and the void coefficient on every positions and fuel types in fuel rod assemblies. While on the other hand, the representative values for the local power distribution as described above are compensated by a compensation coefficient considering the effect of adjacent segments and a control rod compensation coefficient considering the effect due to the control rod insertion relative to the just-mentioned compensation coefficient. Then, the maximum value among them is selected to determine the local power peaking coefficient at each of the times and each of the segments, which is monitored. According to this system, the calculation and the working required for the fitting work depending on the combination of fuel types are no more required at all to facilitate the maintenance as well. (Horiuchi, T.)

Long-range dispersion interactions. III: Method for two homonuclear atoms

International Nuclear Information System (INIS)

Mitroy, J.; Zhang, J.-Y.

2007-01-01

A procedure for systematically evaluating the long-range dispersion interaction between two homonuclear atoms in arbitrary LS coupled states is outlined. The method is then used to generate dispersion coefficients for a number of the low-lying states of the Na and Mg dimers

Determination of the crystal-melt interface kinetic coefficient from molecular dynamics simulations

International Nuclear Information System (INIS)

Monk, J; Mendelev, M I; Yang, Y; Asta, M; Hoyt, J J; Sun, D Y

2010-01-01

The generation and dissipation of latent heat at the moving solid–liquid boundary during non-equilibrium molecular dynamics (MD) simulations of crystallization can lead to significant underestimations of the interface mobility. In this work we examine the heat flow problem in detail for an embedded atom description of pure Ni and offer strategies to obtain an accurate value of the kinetic coefficient, μ. For free-solidification simulations in which the entire system is thermostated using a Nose–Hoover or velocity rescaling algorithm a non-uniform temperature profile is observed and a peak in the temperature is found at the interface position. It is shown that if the actual interface temperature, rather than the thermostat set point temperature, is used to compute the kinetic coefficient then μ is approximately a factor of 2 larger than previous estimates. In addition, we introduce a layered thermostat method in which several sub-regions, aligned normal to the crystallization direction, are indepently thermostated to a desired undercooling. We show that as the number of thermostats increases (i.e., as the width of each independently thermostated layer decreases) the kinetic coefficient converges to a value consistent with that obtained using a single thermostat and the calculated interface temperature. Also, the kinetic coefficient was determined from an analysis of the equilibrium fluctuations of the solid–liquid interface position. We demonstrate that the kinetic coefficient obtained from the relaxation times of the fluctuation spectrum is equivalent to the two values obtained from free-solidification simulations provided a simple correction is made for the contribution of heat flow controlled interface motion. Finally, a one-dimensional phase field model that captures the effect of thermostats has been developed. The mesoscale model reproduces qualitatively the results from MD simulations and thus allows for an a priori estimate of the accuracy of a

Determination of coupling coefficients at various zenith angles of the basis of the cosmic ray azimuth effect

Science.gov (United States)

Belskiy, S. A.; Dmitriev, B. A.; Romanov, A. M.

1975-01-01

The value of EW asymmetry and coupling coefficients at different zenith angles were measured by means of a double coincidence crossed telescope which gives an opportunity to measure simultaneously the intensity of the cosmic ray hard component at zenith angles from 0 to 84 deg in opposite azimuths. The advantages of determining the coupling coefficients by the cosmic ray azimuth effect as compared to their measurement by the latitudinal effect are discussed.

Einstein A and B coefficients for a black hole

International Nuclear Information System (INIS)

Bekenstein, J.D.; Meisels, A.

1977-01-01

By quantum calculations in a classical background geometry, Hawking has shown that an isolated black hole emits thermal radiation spontaneously. Starting from Hawking's expectation value for the number of quanta emitted per mode, and using methods from statistical thermodynamics, one of us calculated earlier the probability distribution for the number of quanta per mode outgoing from a black hole placed in a thermal radiation bath. By the same methods we show here that this probability is not simply the combination of that for Hawking's spontaneous emission and that for pure scattering. From this we infer the existence of stimulated emission in all modes, even those which do not superradiate. We derive the probability that m quanta go out in a given mode when precisely n are incident. It satisfies a symmetry condition originally given by Hartle and Hawking for a special case. For all modes the average number of outgoing quanta contains a contribution from stimulated emission which shows up as a negative contribution to the effective absorptivity GAMMA. The situation is analogous to that for opacity in the theory of radiative transport. Superradiance occurs for modes in which the negative contribution dominates the pure absorptivity. We identify the Einstein A and B coefficients for a black hole. The B coefficients satisfy the usual relation from atomic physics with the role of degeneracy factor played by the exponential of black-hole entropy. This agrees with the statistical interpretation of this quantity in terms of internal black-hole configurations. The relation between the B coefficients suggests time reversibility of the radiative aspect of a black hole. This supports Hawking's view that a black hole and a white hole are essentially the same thing

Influence of atomic ordering on elastocaloric and magnetocaloric effects of a Ni–Cu–Mn–Ga ferromagnetic shape memory alloy

International Nuclear Information System (INIS)

Huang, Chonghui; Wang, Yu; Tang, Zhao; Liao, Xiaoqi; Yang, Sen; Song, Xiaoping

2015-01-01

Highlights: • Ni 51 Cu 4 Mn 20 Ga 25 alloy exhibits normal elastocaloric and magnetocaloric effects. • L2 1 atomic order of the alloy is increased after annealing at 773 K for 10 h. • Increasing L2 1 atomic order improves its elastocaloric and magnetocaloric effects. • Atomic ordering modifies the magnetic and martensitic transitions of the system. - Abstract: The coexisting elastocaloric and magnetocaloric effects in ferromagnetic shape memory alloys have attracted much attention for the potential application in solid state refrigeration. Previous studies show that the L2 1 atomic ordering of Heusler ferromagnetic shape memory alloys plays important role on their magnetocaloric effect. However, no research work investigates the effect of atomic ordering on their elastocaloric effect yet. In this study, we investigated the influence of atomic ordering on the elastocaloric and magnetocaloric effects of a Ni 51 Cu 4 Mn 20 Ga 25 ferromagnetic shape memory alloy. The alloy exhibits normal elastocaloric effect and normal magnetocaloric effect near room temperature. Moreover, we found that the enhancement of atomic order in this alloy can greatly increase the entropy change and refrigeration capacity of its elastocaloric and magnetocaloric effects. This is attributed to that the atomic ordering modifies the magnetic and martensitic transitions of the system

Effects of a static electric field on two-color photoassociation between different atoms

International Nuclear Information System (INIS)

Chakraborty, Debashree; Deb, Bimalendu

2014-01-01

We study non-perturbative effects of a static electric field on two-color photoassociation of different atoms. A static electric field induces anisotropy in scattering between two different atoms and hybridizes field-free rotational states of heteronuclear dimers or polar molecules. In a previous paper [D. Chakraborty et al., J. Phys. B 44, 095201 (2011)], the effects of a static electric field on one-color photoassociation between different atoms has been described through field-modified ground-state scattering states, neglecting electric field effects on heteronuclear diatomic bound states. To study the effects of a static electric field on heteronuclear bound states, and the resulting influence on Raman-type two-color photoassociation between different atoms in the presence of a static electric field, we develop a non-perturbative numerical method to calculate static electric field-dressed heteronuclear bound states. We show that the static electric field induced scattering anisotropy as well as hybridization of rotational states strongly influence two-color photoassociation spectra, leading to significant enhancement in PA rate and large shift. In particular, for static electric field strengths of a few hundred kV/cm, two-color PA rate involving high-lying bound states in electronic ground-state increases by several orders of magnitude even in the weak photoassociative coupling regime

Development of laser atomic spectroscopic technology

International Nuclear Information System (INIS)

Lee, Jong Min; Ohr, Young Gie; Cha, Hyung Ki

1990-06-01

Some preliminary results on the resonant ionization spectroscopy for Na and Pb atoms are presents both in theory and in experiment. A single color multiphoton ionization process is theoretically analysed in detail, for the resonant and non-resonant cases, and several parameters determining the overall ionization rate are summarized. In particular, the AC stark shift, the line width and the non-linear coefficient of ionization rate are recalculated using the perturbation theory in resolvent approach. On the other hand, the fundamental equipments for spectroscopic experiments have been designed and manufactured, which include a Nd:YAG laser, a GIM-type dye laser, a vacuum system ionization cells, a heat pipe oven, and an ion current measuring system. The characteristics of the above equipments have also been examined. Using the spectroscopic data available, several ionization schemes are considered and the relative merits for ionization have been discussed. Moreover, the effects due to the buffer gas pressure, laser intensity, vapor density and electrode voltage have been investigated in detail. The experiments will be extended to multi-color processes with several resonances, and the ultimate goal is to develop a ultrasensitive analytical method for pollutive heavy metal atoms using the resonant ionization spectroscopy. (author)

Engineering the Dynamics of Effective Spin-Chain Models for Strongly Interacting Atomic Gases

DEFF Research Database (Denmark)

Volosniev, A. G.; Petrosyan, D.; Valiente, M.

2015-01-01

We consider a one-dimensional gas of cold atoms with strong contact interactions and construct an effective spin-chain Hamiltonian for a two-component system. The resulting Heisenberg spin model can be engineered by manipulating the shape of the external confining potential of the atomic gas. We...

Enhancement of Continuous Variable Entanglement in Four-Wave Mixing due to Atomic Memory Effects

International Nuclear Information System (INIS)

Yu-Zhu, Zhu; Xiang-Ming, Hu; Fei, Wang; Jing-Yan, Li

2010-01-01

We explore the effects of atomic memory on quantum correlations of two-mode light fields from four-wave mixing. A three-level atomic system in Λ configuration is considered, in which the atomic relaxation times are comparable to or longer than the cavity relaxation times and thus there exists the atomic memory. The quantum correlation spectrum in the output is calculated without the adiabatic elimination of atomic variables. It is shown that the continuous variable entanglement is enhanced over a wide range of the normalized detuning in the intermediate and bad cavity cases compared with the good cavity case. In some situations more significant enhancement occurs at sidebands

CHIANTI—AN ATOMIC DATABASE FOR EMISSION LINES. XII. VERSION 7 OF THE DATABASE

International Nuclear Information System (INIS)

Landi, E.; Del Zanna, G.; Mason, H. E.; Young, P. R.; Dere, K. P.

2012-01-01

The CHIANTI spectral code consists of an atomic database and a suite of computer programs to calculate the optically thin spectrum of astrophysical objects and carry out spectroscopic plasma diagnostics. The database includes atomic energy levels, wavelengths, radiative transition probabilities, collision excitation rate coefficients, and ionization and recombination rate coefficients, as well as data to calculate free-free, free-bound, and two-photon continuum emission. Version 7 has been released, which includes several new ions, significant updates to existing ions, as well as Chianti-Py, the implementation of CHIANTI software in the Python programming language. All data and programs are freely available at http://www.chiantidatabase.org, while the Python interface to CHIANTI can be found at http://chiantipy.sourceforge.net.

CHIANTI-AN ATOMIC DATABASE FOR EMISSION LINES. XII. VERSION 7 OF THE DATABASE

Energy Technology Data Exchange (ETDEWEB)

Landi, E. [Department of Atmospheric, Oceanic and Space Sciences, University of Michigan, Ann Arbor, MI 48109 (United States); Del Zanna, G.; Mason, H. E. [Department of Applied Mathematics and Theoretical Physics, University of Cambridge, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Young, P. R. [College of Science, George Mason University, 4400 University Drive, Fairfax, VA, 22030 (United States); Dere, K. P. [School of Physics, Astronomy and Computational Sciences, MS 6A2, George Mason University, 4400 University Drive, Fairfax, VA 22030 (United States)

2012-01-10

The CHIANTI spectral code consists of an atomic database and a suite of computer programs to calculate the optically thin spectrum of astrophysical objects and carry out spectroscopic plasma diagnostics. The database includes atomic energy levels, wavelengths, radiative transition probabilities, collision excitation rate coefficients, and ionization and recombination rate coefficients, as well as data to calculate free-free, free-bound, and two-photon continuum emission. Version 7 has been released, which includes several new ions, significant updates to existing ions, as well as Chianti-Py, the implementation of CHIANTI software in the Python programming language. All data and programs are freely available at http://www.chiantidatabase.org, while the Python interface to CHIANTI can be found at http://chiantipy.sourceforge.net.

A solenoidal synthetic field and the non-Abelian Aharonov-Bohm effects in neutral atoms.

Science.gov (United States)

Huo, Ming-Xia; Nie, Wei; Hutchinson, David A W; Kwek, Leong Chuan

2014-08-08

Cold neutral atoms provide a versatile and controllable platform for emulating various quantum systems. Despite efforts to develop artificial gauge fields in these systems, realizing a unique ideal-solenoid-shaped magnetic field within the quantum domain in any real-world physical system remains elusive. Here we propose a scheme to generate a "hairline" solenoid with an extremely small size around 1 micrometer which is smaller than the typical coherence length in cold atoms. Correspondingly, interference effects will play a role in transport. Despite the small size, the magnetic flux imposed on the atoms is very large thanks to the very strong field generated inside the solenoid. By arranging different sets of Laguerre-Gauss (LG) lasers, the generation of Abelian and non-Abelian SU(2) lattice gauge fields is proposed for neutral atoms in ring- and square-shaped optical lattices. As an application, interference patterns of the magnetic type-I Aharonov-Bohm (AB) effect are obtained by evolving atoms along a circle over several tens of lattice cells. During the evolution, the quantum coherence is maintained and the atoms are exposed to a large magnetic flux. The scheme requires only standard optical access, and is robust to weak particle interactions.

A solenoidal synthetic field and the non-Abelian Aharonov-Bohm effects in neutral atoms

Science.gov (United States)

Huo, Ming-Xia; Nie, Wei; Hutchinson, David A. W.; Kwek, Leong Chuan

2014-08-01

Cold neutral atoms provide a versatile and controllable platform for emulating various quantum systems. Despite efforts to develop artificial gauge fields in these systems, realizing a unique ideal-solenoid-shaped magnetic field within the quantum domain in any real-world physical system remains elusive. Here we propose a scheme to generate a ``hairline'' solenoid with an extremely small size around 1 micrometer which is smaller than the typical coherence length in cold atoms. Correspondingly, interference effects will play a role in transport. Despite the small size, the magnetic flux imposed on the atoms is very large thanks to the very strong field generated inside the solenoid. By arranging different sets of Laguerre-Gauss (LG) lasers, the generation of Abelian and non-Abelian SU(2) lattice gauge fields is proposed for neutral atoms in ring- and square-shaped optical lattices. As an application, interference patterns of the magnetic type-I Aharonov-Bohm (AB) effect are obtained by evolving atoms along a circle over several tens of lattice cells. During the evolution, the quantum coherence is maintained and the atoms are exposed to a large magnetic flux. The scheme requires only standard optical access, and is robust to weak particle interactions.

Elasticity moduli, thermal expansion coefficients and Debye temperature of titanium alloys

International Nuclear Information System (INIS)

Beletskij, V.M.; Glej, V.A.; Maksimyuk, P.A.; Tabachnik, V.I.; Opanasenko, V.F.

1979-01-01

Studied are the characteristics of titanium alloys which reflect best the bonding forces for atoms in a crystal lattice: elastic modules, their temperature dependences, thermal expansion coefficient and Debye temperatures. For the increase of the accuracy of measuring modules and especially their changes with temperature an ultrasonic echo-impulse method of superposition has been used. The temperature dependences of Young modulus of the VT1-0, VT16 and VT22 titanium alloys are plotted. The Young module and its change with temperature depend on the content of alloying elements. The Young module decrease with temperature may be explained within the framework of the inharmonic effect theory. The analysis of the results obtained permits to suppose that alloying of titanium alloys with aluminium results in an interatomic interaction increase that may be one of the reasons of their strength increase

Estimation of the simple correlation coefficient.

Science.gov (United States)

Shieh, Gwowen

2010-11-01

This article investigates some unfamiliar properties of the Pearson product-moment correlation coefficient for the estimation of simple correlation coefficient. Although Pearson's r is biased, except for limited situations, and the minimum variance unbiased estimator has been proposed in the literature, researchers routinely employ the sample correlation coefficient in their practical applications, because of its simplicity and popularity. In order to support such practice, this study examines the mean squared errors of r and several prominent formulas. The results reveal specific situations in which the sample correlation coefficient performs better than the unbiased and nearly unbiased estimators, facilitating recommendation of r as an effect size index for the strength of linear association between two variables. In addition, related issues of estimating the squared simple correlation coefficient are also considered.

Opacity and atomic analysis of double pulse laser ablated Li plasma

Science.gov (United States)

Sivakumaran, V.; Joshi, H. C.; Kumar, Ajai

2014-09-01

Opacity effects for neutral and ionic emission lines of lithium have been investigated by Atomic Data Analysis Structure (ADAS). Line ratios and opacity corrected photon emissivity coefficients are calculated over a wide range of electron temperatures and densities. The experimentally measured temporal evolution of the line profiles of the over dense Li plasma formed in the double pulse laser ablation experiment have been explained using the ADAS analysis and the plasma parameters of the plasma plume under consideration have been estimated. These results could be projected as a diagnostic tool to estimate plasma parameters of an over dense lithium plasma.

Understanding the effect of compositions on electronegativity, atomic radius and thermal stability of Mg-Ni-Y amorphous alloy

Science.gov (United States)

Deshmukh, A. A.; Kuthe, S. A.; Palikundwar, U. A.

2018-05-01

In the present paper, the consequences of variation in compositions on the electronegativity (ΔX), atomic radius difference (δ) and the thermal stability (ΔTx) of Mg-Ni-Y bulk metallic glasses (BMGs) are evaluated. In order to understand the effect of variation in compositions on ΔX, δ and ΔTx, regression analysis is performed on the experimentally available data. A linear correlation between both δ and ΔX with regression coefficient 0.93 is observed. Further, compositional variation is performed with δ and then it is correlated to the ΔTx by deriving subsequent equations. It is observed that concentration of Mg, Ni and Y are directly proportional to the δ with regression coefficients 0.93, 0.93 and 0.50 respectively. The positive slope of Ni and Y stated that ΔTx will increase if it has more contribution from both Ni and Y. On the other hand negative slope stated that composition of Mg should be selected in such a way that it will have more stability with Ni and Y. The results obtained from mathematical calculations are also tested by regression analysis of ΔTx with the compositions of individual elements in the alloy. These results conclude that there is a strong dependence of ΔTx of the alloy on the compositions of the constituting elements in the alloy.

Atom diffraction with a 'natural' metastable atom nozzle beam

International Nuclear Information System (INIS)

Karam, J-C; Wipf, N; Grucker, J; Perales, F; Boustimi, M; Vassilev, G; Bocvarski, V; Mainos, C; Baudon, J; Robert, J

2005-01-01

The resonant metastability-exchange process is used to obtain a metastable atom beam with intrinsic properties close to those of a ground-state atom nozzle beam (small angular aperture, narrow velocity distribution). The estimated effective source diameter (15 μm) is small enough to provide at a distance of 597 mm a transverse coherence radius of about 873 nm for argon, 1236 nm for neon and 1660 nm for helium. It is demonstrated both by experiment and numerical calculations with He*, Ne* and Ar* metastable atoms, that this beam gives rise to diffraction effects on the transmitted angular pattern of a silicon-nitride nano-slit grating (period 100 nm). Observed patterns are in good agreement with previous measurements with He* and Ne* metastable atoms. For argon, a calculation taking into account the angular aperture of the beam (0.35 mrad) and the effect of the van der Waals interaction-the van der Waals constant C 3 1.83 +0.1 -0.15 au being derived from spectroscopic data-leads to a good agreement with experiment

The effect of radionuclides and their carriers on diffusion coefficient of radionuclides in local rocks

International Nuclear Information System (INIS)

Othman, I.; Takriti, S.

1995-07-01

The diffusion coefficient of sup 9 sup 0 Sr and sup 1 sup 3 sup 7 Cs has been calculated for different local rocks in stationary and dynamic state. The effect of pH radioisotope solution dependence in shown by diffusion coefficient in some rocks. The results show that the cement and dolomite have the best quality of radioisotope retention which do not allow them to pollute the environment. (author). 6 refs., 2 tabs., 13 figs

Effect of plasma CVD operating temperature on nanomechanical properties of TiC nanostructured coating investigated by atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Shanaghi, Ali, E-mail: alishanaghi@gmail.com [Materials Engineering Department, Faculty of Engineering, Malayer University, P.O. Box: 95863-65719, Malayer (Iran, Islamic Republic of); Rouhaghdam, Ali Reza Sabour, E-mail: sabour01@modares.ac.ir [Surface Engineering Laboratory, Materials Engineering Department, Faculty of Engineering, Tarbiat Modares University, P.O. Box: 14115-143, Tehran (Iran, Islamic Republic of); Ahangarani, Shahrokh, E-mail: sh.ahangarani@gmail.com [Advanced Materials and Renewable Energies Department, Iranian Research Organization for Science and Technology, P.O. Box 15815-3538, Tehran (Iran, Islamic Republic of); Chu, Paul K., E-mail: paul.chu@cityu.edu.hk [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

2012-09-15

Highlights: ► The TiC{sub x} nanostructure coatings have been deposited by PACVD method. ► Dominant mechanism of growth structure at 490 °C is island-layer type. ► TiC{sub x} nanostructure coating applied at 490 °C, exhibits lowest friction coefficient. ► Young's moduli are 289.9, 400 and 187.6 GPa for 470, 490 and 510 °C, respectively. ► This higher elastic modulus and higher hardness of nanocoating obtain at 490 °C. -- Abstract: The structure, composition, and mechanical properties of nanostructured titanium carbide (TiC) coatings deposited on H{sub 11} hot-working tool steel by pulsed-DC plasma assisted chemical vapor deposition at three different temperatures are investigated. Nanoindentation and nanoscratch tests are carried out by atomic force microscopy to determine the mechanical properties such as hardness, elastic modulus, surface roughness, and friction coefficient. The nanostructured TiC coatings prepared at 490 °C exhibit lower friction coefficient (0.23) than the ones deposited at 470 and 510 °C. Increasing the deposition temperature reduces the Young's modulus and hardness. The overall superior mechanical properties such as higher hardness and lower friction coefficient render the coatings deposited at 490 °C suitable for wear resistant applications.

Effect of plasma CVD operating temperature on nanomechanical properties of TiC nanostructured coating investigated by atomic force microscopy

International Nuclear Information System (INIS)

Shanaghi, Ali; Rouhaghdam, Ali Reza Sabour; Ahangarani, Shahrokh; Chu, Paul K.

2012-01-01

Highlights: ► The TiC x nanostructure coatings have been deposited by PACVD method. ► Dominant mechanism of growth structure at 490 °C is island-layer type. ► TiC x nanostructure coating applied at 490 °C, exhibits lowest friction coefficient. ► Young's moduli are 289.9, 400 and 187.6 GPa for 470, 490 and 510 °C, respectively. ► This higher elastic modulus and higher hardness of nanocoating obtain at 490 °C. -- Abstract: The structure, composition, and mechanical properties of nanostructured titanium carbide (TiC) coatings deposited on H 11 hot-working tool steel by pulsed-DC plasma assisted chemical vapor deposition at three different temperatures are investigated. Nanoindentation and nanoscratch tests are carried out by atomic force microscopy to determine the mechanical properties such as hardness, elastic modulus, surface roughness, and friction coefficient. The nanostructured TiC coatings prepared at 490 °C exhibit lower friction coefficient (0.23) than the ones deposited at 470 and 510 °C. Increasing the deposition temperature reduces the Young's modulus and hardness. The overall superior mechanical properties such as higher hardness and lower friction coefficient render the coatings deposited at 490 °C suitable for wear resistant applications.

For seeing atoms: tunnel effect microscopy

International Nuclear Information System (INIS)

Stoll, E.; Humbert, A.

1985-01-01

A new technique, Scanning Tunneling Microscopy (STM) is described, which allows surface detail to be resolved at atomic level. The principles are described, together with an account of a recent experiment; various theoretical considerations are examined. Samples of recorded topographies are depicted and analysed. It is concluded that the technique is of value for chemical studies of surfaces on an atomic scale. (D.A.J.)

Lattice cell diffusion coefficients. Definitions and comparisons

International Nuclear Information System (INIS)

Hughes, R.P.

1980-01-01

Definitions of equivalent diffusion coefficients for regular lattices of heterogeneous cells have been given by several authors. The paper begins by reviewing these different definitions and the unification of their derivation. This unification makes clear how accurately each definition (together with appropriate cross-section definitions to preserve the eigenvalue) represents the individual reaction rates within the cell. The approach can be extended to include asymmetric cells and whereas before, the buckling describing the macroscopic flux shape was real, here it is found to be complex. A neutron ''drift'' coefficient as well as a diffusion coefficient is necessary to produce the macroscopic flux shape. The numerical calculation of the various different diffusion coefficients requires the solutions of equations similar to the ordinary transport equation for an infinite lattice. Traditional reactor physics codes are not sufficiently flexible to solve these equations in general. However, calculations in certain simple cases are presented and the theoretical results quantified. In difficult geometries, Monte Carlo techniques can be used to calculate an effective diffusion coefficient. These methods relate to those already described provided that correlation effects between different generations of neutrons are included. Again, these effects are quantified in certain simple cases. (author)

LIMB-DARKENING COEFFICIENTS FOR ECLIPSING WHITE DWARFS

Energy Technology Data Exchange (ETDEWEB)

Gianninas, A.; Strickland, B. D.; Kilic, Mukremin [Homer L. Dodge Department of Physics and Astronomy, University of Oklahoma, 440 W. Brooks St., Norman, OK 73019 (United States); Bergeron, P., E-mail: alexg@nhn.ou.edu, E-mail: benstrickland@ou.edu, E-mail: kilic@ou.edu, E-mail: bergeron@astro.umontreal.ca [Departement de Physique, Universite de Montreal, C.P. 6128, Succ. Centre-Ville, Montreal, Quebec H3C 3J7 (Canada)

2013-03-20

We present extensive calculations of linear and nonlinear limb-darkening coefficients as well as complete intensity profiles appropriate for modeling the light-curves of eclipsing white dwarfs. We compute limb-darkening coefficients in the Johnson-Kron-Cousins UBVRI photometric system as well as the Large Synoptic Survey Telescope (LSST) ugrizy system using the most up to date model atmospheres available. In all, we provide the coefficients for seven different limb-darkening laws. We describe the variations of these coefficients as a function of the atmospheric parameters, including the effects of convection at low effective temperatures. Finally, we discuss the importance of having readily available limb-darkening coefficients in the context of present and future photometric surveys like the LSST, Palomar Transient Factory, and the Panoramic Survey Telescope and Rapid Response System (Pan-STARRS). The LSST, for example, may find {approx}10{sup 5} eclipsing white dwarfs. The limb-darkening calculations presented here will be an essential part of the detailed analysis of all of these systems.

LIMB-DARKENING COEFFICIENTS FOR ECLIPSING WHITE DWARFS

International Nuclear Information System (INIS)

Gianninas, A.; Strickland, B. D.; Kilic, Mukremin; Bergeron, P.

2013-01-01

We present extensive calculations of linear and nonlinear limb-darkening coefficients as well as complete intensity profiles appropriate for modeling the light-curves of eclipsing white dwarfs. We compute limb-darkening coefficients in the Johnson-Kron-Cousins UBVRI photometric system as well as the Large Synoptic Survey Telescope (LSST) ugrizy system using the most up to date model atmospheres available. In all, we provide the coefficients for seven different limb-darkening laws. We describe the variations of these coefficients as a function of the atmospheric parameters, including the effects of convection at low effective temperatures. Finally, we discuss the importance of having readily available limb-darkening coefficients in the context of present and future photometric surveys like the LSST, Palomar Transient Factory, and the Panoramic Survey Telescope and Rapid Response System (Pan-STARRS). The LSST, for example, may find ∼10 5 eclipsing white dwarfs. The limb-darkening calculations presented here will be an essential part of the detailed analysis of all of these systems.

Influence of driving frequency on oxygen atom density in O2 radio frequency capacitively coupled plasma

International Nuclear Information System (INIS)

Kitajima, Takeshi; Noro, Kouichi; Nakano, Toshiki; Makabe, Toshiaki

2004-01-01

The influence of the driving frequency on the absolute oxygen atom density in an O 2 radio frequency (RF) capacitively coupled plasma (CCP) was investigated using vacuum ultraviolet absorption spectroscopy with pulse modulation of the main plasma. A low-power operation of a compact inductively coupled plasma light source was enabled to avoid the significant measurement errors caused by self-absorption in the light source. The pulse modulation of the main plasma enabled accurate absorption measurement for high plasma density conditions by eliminating background signals due to light emission from the main plasma. As for the effects of the driving frequency, the effect of VHF (100 MHz) drive on oxygen atom production was small because of the modest increase in plasma density of electronegative O 2 in contrast to the significant increase in electron density previously observed for electropositive Ar. The recombination coefficient of oxygen atoms on the electrode surface was obtained from a decay rate in the afterglow by comparison with a diffusion model, and it showed agreement with previously reported values for several electrode materials

Effect of graphene nanoplatelets on coefficient of thermal expansion of polyetherimide composite

International Nuclear Information System (INIS)

Wu, Huang; Drzal, Lawrence T.

2014-01-01

Thermal expansion is one of the major concerns for polymer composites. In this research, graphene nanoplatelets (GNPs) were added to polyetherimide (PEId) thermoplastic polymer in order to reduce the coefficient of thermal expansion (CTE) of the injection molded composite. First, the coefficient of linear thermal expansion (LTE) was measured in three directions in the anisotropic coupon: 0°, 90° and the out of plane Z direction. It is found that the GNP particles are very effective in terms of reducing the LTE in 0° direction due to high degree of alignment. After annealing above glass transition temperature, significant increase of 0° LTE and decrease of Z° LTE were observed. The bulk CTE was calculated by adding up the LTEs in all three directions and is found to be independent of annealing. Second, several models were applied to predict both CTE and LTE. It is found that Schapery's lower limit model fits the experimental CTE very well. Chow's model was applied for LTEs in three directions. The behavior of GNP-5/PEId composites is explained by the combination of Chow's model and morphology obtained by scanning electron microscope (SEM). - Highlights: • Coefficient of thermal expansion (CTE) of polymer composite is characterized. • Reduction of linear thermal expansion depends on filler orientation. • Filler orientation is characterized based on the location of the specimen. • Filler orientation is changed by annealing, causing subsequent change in CTE. • CTE and linear thermal expansion coefficient are modeled

Effect of electrostatic field on dynamic friction coefficient of pistachio

Directory of Open Access Journals (Sweden)

M. H Aghkhani

2016-04-01

Full Text Available Introduction: Separation and grading of agricultural products from the production to supply, has notable importance. The separation can be done based on physical, electrical, magnetic, optical properties and etc. It is necessary for any development of new systems to study enough on the properties and behavior of agricultural products. Some characteristics for separation are size (length, width and thickness, hardness, shape, density, surface roughness, color, speed limit, aerodynamic properties, electrical conductivity, elasticity and coefficient of static friction point. So far, the friction properties of agricultural products used in the separating process, but the effect of electrostatic charging on static and dynamic coefficients of friction for separation had little attention. The aim of this study was to find out the interactions between electrostatic and friction properties to find a way to separate products that separation is not possible with conventional methods or not sufficiently accurate. In this paper, the separation of close and smiley pistachios by electrostatic charging was investigated. Materials and Methods: Kallehghoochi pistachio cultivar has the top rank in production in Iran. Therefore, it was used as a sample. The experimental design that used in this study, had moisture content at three levels (24.2, 14.5 and 8.1 percent, electric field intensity at three levels (zero, 4000 and 7000 V, speed of movement on the surface at three levels (1300, 2500 and 3300 mm per minute, friction surface (galvanized sheet iron, aluminum and flat rubber and pistachio type at two levels (filled splits and closed that was measured and analyzed in completely randomized factorial design. A friction measuring device (built in Ferdowsi University of Mashhad used to measure the friction force. It has a removable table that can move in two directions with adjustable speed. The test sample put into the vessel with internal dimensions of 300 × 150 �

Progress in atomic spectroscopy

International Nuclear Information System (INIS)

Beyer, H.J.; Kleinpoppen, H.

1984-01-01

This book presents reviews by leading experts in the field covering areas of research at the forefront of atomic spectroscopy. Topics considered include the k ordering of atomic structure, multiconfiguration Hartree-Fock calculations for complex atoms, new methods in high-resolution laser spectroscopy, resonance ionization spectroscopy (inert atom detection), trapped ion spectroscopy, high-magnetic-field atomic physics, the effects of magnetic and electric fields on highly excited atoms, x rays from superheavy collision systems, recoil ion spectroscopy with heavy ions, investigations of superheavy quasi-atoms via spectroscopy of electron rays and positrons, impact ionization by fast projectiles, and amplitudes and state parameters from ion- and atom-atom excitation processes

Regulation of the friction coefficient of articular cartilage by TGF-beta1 and IL-1beta.

Science.gov (United States)

DuRaine, Grayson; Neu, Corey P; Chan, Stephanie M T; Komvopoulos, Kyriakos; June, Ronald K; Reddi, A Hari

2009-02-01

Articular cartilage functions to provide a low-friction surface for joint movement for many decades of life. Superficial zone protein (SZP) is a glycoprotein secreted by chondrocytes in the superficial layer of articular cartilage that contributes to effective boundary lubrication. In both cell and explant cultures, TGF-beta1 and IL-1beta have been demonstrated to, respectively, upregulate and downregulate SZP protein levels. It was hypothesized that the friction coefficient of articular cartilage could also be modulated by these cytokines through SZP regulation. The friction coefficient between cartilage explants (both untreated and treated with TGF-beta1 or IL-1beta) and a smooth glass surface due to sliding in the boundary lubrication regime was measured with a pin-on-disk tribometer. SZP was quantified using an enzyme-linked immunosorbant assay and localized by immunohistochemistry. Both TGF-beta1 and IL-1beta treatments resulted in the decrease of the friction coefficient of articular cartilage in a location- and time-dependent manner. Changes in the friction coefficient due to the TGF-beta1 treatment corresponded to increased depth of SZP staining within the superficial zone, while friction coefficient changes due to the IL-1beta treatment were independent of SZP depth of staining. However, the changes induced by the IL-1beta treatment corresponded to changes in surface roughness, determined from the analysis of surface images obtained with an atomic force microscope. These findings demonstrate that the low friction of articular cartilage can be modified by TGF-beta1 and IL-1beta treatment and that the friction coefficient depends on multiple factors, including SZP localization and surface roughness.

Precision spectroscopy on atomic hydrogen

International Nuclear Information System (INIS)

Parthey, Christian Godehard

2011-01-01

This Thesis reports on three measurements involving the 1S-2S transition in atomic hydrogen and deuterium conducted on a 5.8 K atomic beam. The transition is excited Doppler-free via two counter-propagating photons near 243 nm. The H/D isotope shift has been determined as Δ∫ exp =670 994 334 606(15) Hz. Comparing with the theoretical value for the isotope shift, excluding the leading nuclear size effect, Δ∫ th =670 999 566.90(66)(60) kHz we confirm, twice more accurate, the rms charge radius difference of the deuteron and the proton as left angle r 2 right angle d - left angle r 2 right angle p =3.82007(65) fm 2 and the deuteron structure radius r str =1.97507(78) fm. The frequency ratio of the 1S-2S transition in atomic hydrogen to the cesium ground state hyperfine transition provided by the mobile cesium fountain clock FOM is measured to be ∫ 1S-2S =2 466 061 413 187 035 (10) Hz which presents a fractional frequency uncertainty of 4.2 x 10 -15 . The second absolute frequency measurement of the 1S-2S transition in atomic hydrogen presents the first application of a 900 km fiber link between MPQ and Physikalisch- Technische Bundesanstalt (PTB) in Braunschweig which we have used to calibrate the MPQ hydrogen maser with the stationary cesium fountain clock CSF1 at PTB. With the result of ∫ 1S-2S =2 466 061 413 187 017 (11) Hz we can put a constraint on the electron Lorentz boost violating coefficients 0.95c (TX) -0.29c (TY) -0.08 c (TZ) =(2.2±1.8) x 10 -11 within the framework of minimal standard model extensions. We limit a possible drift of the strong coupling constant through the ratio of magnetic moments at a competitive level (∂)/(∂t)ln (μ Cs )/(μ B )=-(3.0±1.2) x 10 -15 yr -1 .

Influence of atomic ordering on elastocaloric and magnetocaloric effects of a Ni–Cu–Mn–Ga ferromagnetic shape memory alloy

Energy Technology Data Exchange (ETDEWEB)

Huang, Chonghui [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter and State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049 (China); Wang, Yu, E-mail: yuwang@mail.xjtu.edu.cn [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter and State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049 (China); Multi-disciplinary Materials Research Center, Frontier Institute of Science and Technology, Xi’an Jiaotong University, Xi’an 710049 (China); Tang, Zhao; Liao, Xiaoqi; Yang, Sen; Song, Xiaoping [MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter and State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049 (China)

2015-05-05

Highlights: • Ni{sub 51}Cu{sub 4}Mn{sub 20}Ga{sub 25} alloy exhibits normal elastocaloric and magnetocaloric effects. • L2{sub 1} atomic order of the alloy is increased after annealing at 773 K for 10 h. • Increasing L2{sub 1} atomic order improves its elastocaloric and magnetocaloric effects. • Atomic ordering modifies the magnetic and martensitic transitions of the system. - Abstract: The coexisting elastocaloric and magnetocaloric effects in ferromagnetic shape memory alloys have attracted much attention for the potential application in solid state refrigeration. Previous studies show that the L2{sub 1} atomic ordering of Heusler ferromagnetic shape memory alloys plays important role on their magnetocaloric effect. However, no research work investigates the effect of atomic ordering on their elastocaloric effect yet. In this study, we investigated the influence of atomic ordering on the elastocaloric and magnetocaloric effects of a Ni{sub 51}Cu{sub 4}Mn{sub 20}Ga{sub 25} ferromagnetic shape memory alloy. The alloy exhibits normal elastocaloric effect and normal magnetocaloric effect near room temperature. Moreover, we found that the enhancement of atomic order in this alloy can greatly increase the entropy change and refrigeration capacity of its elastocaloric and magnetocaloric effects. This is attributed to that the atomic ordering modifies the magnetic and martensitic transitions of the system.

Precise determination of total absorption coefficients for low-energy gamma-quanta with Moessbauer effect

International Nuclear Information System (INIS)

Bonchev, T.; Statev, S.; Nejkov, Kh.

1980-01-01

A new method of determining the total absorption coefficient applying the Moessbauer effect is proposed. This method enables the accuracy of the measurement increase. The coefficient is measured with practically no background on using the recoilless part of gamma radiation obtained from the Moessbauer source with and without the sample between the source of the gamma-quanta and the detector. Moessbauer sources and absorbers with a single line and without an isomeric shift are used. The recoilless part of the radiation is obtained by the ''two point'' method as a difference between the numbers of photons corresponding to the stationary source and to the vibrating one with a big mean square velocity, respectively. In the concrete measurements the sources 57 Co and 119 Sn are used. The total absorption coefficient for different samples beginning with water up to plumbum is determined. The mean square error for the mean result in all measurements is less than the mean statistical error for the coefficient. The obtained experimental data give a much smaller deviation from the theoretical data of the last issue of the Stom-Israel Tables than the one expected by their authors

The Effect of Nonzero Autocorrelation Coefficients on the Distributions of Durbin-Watson Test Estimator: Three Autoregressive Models

Directory of Open Access Journals (Sweden)

Mei-Yu LEE

2014-11-01

Full Text Available This paper investigates the effect of the nonzero autocorrelation coefficients on the sampling distributions of the Durbin-Watson test estimator in three time-series models that have different variance-covariance matrix assumption, separately. We show that the expected values and variances of the Durbin-Watson test estimator are slightly different, but the skewed and kurtosis coefficients are considerably different among three models. The shapes of four coefficients are similar between the Durbin-Watson model and our benchmark model, but are not the same with the autoregressive model cut by one-lagged period. Second, the large sample case shows that the three models have the same expected values, however, the autoregressive model cut by one-lagged period explores different shapes of variance, skewed and kurtosis coefficients from the other two models. This implies that the large samples lead to the same expected values, 2(1 – ρ0, whatever the variance-covariance matrix of the errors is assumed. Finally, comparing with the two sample cases, the shape of each coefficient is almost the same, moreover, the autocorrelation coefficients are negatively related with expected values, are inverted-U related with variances, are cubic related with skewed coefficients, and are U related with kurtosis coefficients.

Rapid prototyping of versatile atom chips for atom interferometry applications.

Science.gov (United States)

Kasch, Brian; Squires, Matthew; Olson, Spencer; Kroese, Bethany; Imhof, Eric; Kohn, Rudolph; Stuhl, Benjamin; Schramm, Stacy; Stickney, James

2016-05-01

We present recent advances in the manipulation of ultracold atoms with ex-vacuo atom chips (i.e. atom chips that are not inside to the UHV chamber). Details will be presented of an experimental system that allows direct bonded copper (DBC) atom chips to be removed and replaced in minutes, requiring minimal re-optimization of parameters. This system has been used to create Bose-Einstein condensates, as well as magnetic waveguides with precisely tunable axial parameters, allowing double wells, pure harmonic confinement, and modified harmonic traps. We investigate the effects of higher order magnetic field contributions to the waveguide, and the implications for confined atom interferometry.

Hanbury Brown and Twiss and other atom-atom correlations: advances in quantum atom optics

CERN Multimedia

CERN. Geneva

2008-01-01

Fifty years ago, two astronomers, R. Hanbury Brown and R. Q. Twiss, invented a new method to measure the angular diameter of stars, in spite of the atmospheric fluctuations. Their proposal prompted a hot debate among physicists : how might two particles (photons), emitted independently (at opposite extremities of a star) , behave in a correlated way when detected ? It was only after the development of R Glauber's full quantum analysis that the effect was understood as a two particle quantum interference effect. From a modern perspective, it can be viewed as an early example of the amazing properties of pairs of entangled particles. The effect has now been observed with bosonic and fermionic atoms, stressing its fully quantum character. After putting these experiments in a historical perspective, I will present recent results, and comment on their significance. I will also show how our single atom detection scheme has allowed us to demonstrate the creation of atom pairs by non linear mixing of matter wa...

Computer simulation of liquid cesium using embedded atom model

International Nuclear Information System (INIS)

Belashchenko, D K; Nikitin, N Yu

2008-01-01

The new method is presented for the inventing an embedded atom potential (EAM potential) for liquid metals. This method uses directly the pair correlation function (PCF) of the liquid metal near the melting temperature. Because of the specific analytic form of this EAM potential, the pair term of potential can be calculated using the pair correlation function and, for example, Schommers algorithm. Other parameters of EAM potential may be found using the potential energy, module of compression and pressure at some conditions, mainly near the melting temperature, at very high temperature or in strongly compressed state. We used the simple exponential formula for effective EAM electronic density and a polynomial series for embedding energy. Molecular dynamics method was applied with L. Verlet algorithm. A series of models with 1968 atoms in the basic cube was constructed in temperature interval 323-1923 K. The thermodynamic properties of liquid cesium, structure data and self-diffusion coefficients are calculated. In general, agreement between the model data and known experimental ones is reasonable. The evaluation is given for the critical temperature of cesium models with EAM potential

Scattering of atoms on a Bose-Einstein condensate

International Nuclear Information System (INIS)

Poulsen, Uffe V.; Moelmer, Klaus

2003-01-01

We study the scattering properties of a Bose-Einstein condensate held in a finite depth well when the incoming particles are identical to the ones in the condensate. We calculate phase shifts and corresponding transmission and reflection coefficients, and we show that the transmission times can be negative, i.e., the atomic wave packet seemingly leaves the condensate before it arrives

Simulated mixed absorbers and effective atomic numbers for γ ...

Indian Academy of Sciences (India)

The total -ray interaction crosss-sections on mixed absorbers were determined at 662 keV with a view to study the effective atomic numbers for -ray absorption under narrow beam good geometry set-up. The measurements were taken for the combination of metallic absorbers like aluminium, copper, lead and mercury ...

Revised Mark 22 coolant temperature coefficients