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Sample records for variational average atom

  1. Time-dependence and averaging techniques in atomic photoionization calculations

    International Nuclear Information System (INIS)

    Scheibner, K.F.

    1984-01-01

    Two distinct problems in the development and application of averaging techniques to photoionization calculations are considered. The first part of the thesis is concerned with the specific problem of near-resonant three-photon ionization in hydrogen, a process for which no cross section exists. Effects of the inclusion of the laser pulse characteristics (both temporal and spatial) on the dynamics of the ionization probability and of the metastable state probability are examined. It is found, for example, that the ionization probability can decrease with increasing field intensity. The temporal profile of the laser pulse is found to affect the dynamics very little, whereas the spatial character of the pulse can affect the results drastically. In the second part of the thesis techniques are developed for calculating averaged cross sections directly without first calculating a detailed cross section. Techniques are developed whereby the detailed cross section never has to be calculated as an intermediate step, but rather, the averaged cross section is calculated directly. A variation of the moment technique and a new method based on the stabilization technique are applied successfully to atomic hydrogen and helium

  2. Positivity of the spherically averaged atomic one-electron density

    DEFF Research Database (Denmark)

    Fournais, Søren; Hoffmann-Ostenhof, Maria; Hoffmann-Ostenhof, Thomas

    2008-01-01

    We investigate the positivity of the spherically averaged atomic one-electron density . For a which stems from a physical ground state we prove that for r ≥  0. This article may be reproduced in its entirety for non-commercial purposes.......We investigate the positivity of the spherically averaged atomic one-electron density . For a which stems from a physical ground state we prove that for r ≥  0. This article may be reproduced in its entirety for non-commercial purposes....

  3. Comparative study of dense plasma state equations obtained from different models of average-atom

    International Nuclear Information System (INIS)

    Fromy, Patrice

    1991-01-01

    This research thesis addresses the influence of temperature and density effects on magnitudes such as pressure, energy, ionisation, and on energy levels of a body described according to the approximation of an electrically neutral isolated atomic sphere. Starting from the general formalism of the functional density, with some approximations, the author deduces the Thomas-Fermi, Thomas-Fermi-Dirac, and Thomas-Fermi-Dirac-Weizsaecker models, and an average-atom approximated quantum model. For each of these models, the author presents an explicit method of resolution, as well as the determination of different magnitudes taken into account in this study. For the different studied magnitudes, the author highlights effects due to the influence of temperature and of density, as well as variations due to the different models [fr

  4. Radial behavior of the average local ionization energies of atoms

    International Nuclear Information System (INIS)

    Politzer, P.; Murray, J.S.; Grice, M.E.; Brinck, T.; Ranganathan, S.

    1991-01-01

    The radial behavior of the average local ionization energy bar I(r) has been investigated for the atoms He--Kr, using ab initio Hartree--Fock atomic wave functions. bar I(r) is found to decrease in a stepwise manner with the inflection points serving effectively to define boundaries between electronic shells. There is a good inverse correlation between polarizability and the ionization energy in the outermost region of the atom, suggesting that bar I(r) may be a meaningful measure of local polarizabilities in atoms and molecules

  5. A collisional-radiative average atom model for hot plasmas

    International Nuclear Information System (INIS)

    Rozsnyai, B.F.

    1996-01-01

    A collisional-radiative 'average atom' (AA) model is presented for the calculation of opacities of hot plasmas not in the condition of local thermodynamic equilibrium (LTE). The electron impact and radiative rate constants are calculated using the dipole oscillator strengths of the average atom. A key element of the model is the photon escape probability which at present is calculated for a semi infinite slab. The Fermi statistics renders the rate equation for the AA level occupancies nonlinear, which requires iterations until the steady state. AA level occupancies are found. Detailed electronic configurations are built into the model after the self-consistent non-LTE AA state is found. The model shows a continuous transition from the non-LTE to the LTE state depending on the optical thickness of the plasma. 22 refs., 13 figs., 1 tab

  6. Calculation of the ground-state energy and average distance between particles for the nonsymmetric muonic 3He atom

    International Nuclear Information System (INIS)

    Eskandari, M.R.; Rezaie, B.

    2005-01-01

    A calculation of the ground-state energy and average distance between particles in the nonsymmetric muonic 3 He atom is given. We have used a wave function with one free parameter, which satisfies boundary conditions such as the behavior of the wave function when two particles are close to each other or far away. In the proposed wave function, the electron-muon correlation function is also considered. It has a correct behavior for r 12 tending to zero and infinity. The calculated values for the energy and expectation values of r 2n are compared with the multibox variational approach and the correlation function hyperspherical harmonic method. In addition, to show the importance and accuracy of approach used, the method is applied to evaluate the ground-state energy and average distance between the particles of nonsymmetric muonic 4 He atom. Our obtained results are very close to the values calculated by the mentioned methods and giving strong indications that the proposed wave functions, in addition to being very simple, provide relatively accurate values for the energy and expectation values of r 2n , emphasizing the importance of the local properties of the wave function

  7. Variational Perturbation Treatment of the Confined Hydrogen Atom

    Science.gov (United States)

    Montgomery, H. E., Jr.

    2011-01-01

    The Schrodinger equation for the ground state of a hydrogen atom confined at the centre of an impenetrable cavity is treated using variational perturbation theory. Energies calculated from variational perturbation theory are comparable in accuracy to the results from a direct numerical solution. The goal of this exercise is to introduce the…

  8. Schwinger variational calculation of ionization of hydrogen atoms for ...

    Indian Academy of Sciences (India)

    Schwinger variational calculation of ionization of hydrogen atoms for large momentum transfers. K CHAKRABARTI. Department of Mathematics, Scottish Church College, 1 & 3 Urquhart Square,. Kolkata 700 006, India. MS received 7 July 2001; revised 10 October 2001. Abstract. Schwinger variational principle is used here ...

  9. The variational method in the atomic structure calcularion

    International Nuclear Information System (INIS)

    Tomimura, A.

    1970-01-01

    The importance and limitations of variational methods on the atomic structure calculations is set into relevance. Comparisons are made to the Perturbation Theory. Ilustrating it, the method is applied to the H - , H + and H + 2 simple atomic structure systems, and the results are analysed with basis on the study of the associated essential eigenvalue spectrum. Hydrogenic functions (where the screening constants are replaced by variational parameters) are combined to construct the wave function with proper symmetry for each one of the systems. This shows the existence of a bound state for H - , but no conclusions can be made for the others, where it may or may not be necessary to use more flexible wave functions, i.e., with greater number of terms and parameters. (author) [pt

  10. Variational approach to excitation of atomic hydrogen atoms by impacts of protons at intermediate velocities

    International Nuclear Information System (INIS)

    Lasri, B.; Bouamoud, M.; Gayet, R.

    2006-01-01

    A variational approach to the excitation of atoms by ion impacts at intermediate velocities is re-examined. Contributions from intermediate states of the target continuum, that were ignored in previous applications of this approach, are taken into account. With this improved variational approach, excitation cross sections of hydrogen atoms by intermediate energy protons are calculated and compared to recent experimental data and to previous theoretical cross sections. The influence of the intermediate target continuum is found to be very weak. In addition, the present approach is shown to apply as long as the capture process is negligible

  11. Schwinger variational principle in charged particle scattering by mesic atoms and atoms

    International Nuclear Information System (INIS)

    Zubarev, A.L.; Podkopaev, A.P.

    1981-01-01

    The way for solving the strong channel coupling method equation with the use of the Shcwinger variational method is proposed. The equation obtained is valid for atomic and mesoatomic physics when the account of the large number of closed channels is necessary and virtual transitions in continuum. In this variational method the trial functions are chosen in the form of expansion into eigenfunctions. The region of the equation validity is found. The problems of the e + H and p-dμ scattering are studied. The e + H scattering length turns out to be 1.8 a. u. which is in accordance with other results. The scattering cross section for p-dμ scattering is equal to 5.7x10 -21 cm -2 which also qualitatively is in agreement with results obtained elsewhere. The bound state which is stable relative to the decay into a positron and hydrogen atom is found for the e + H system [ru

  12. Semi-analytical wave functions in relativistic average atom model for high-temperature plasmas

    International Nuclear Information System (INIS)

    Guo Yonghui; Duan Yaoyong; Kuai Bin

    2007-01-01

    The semi-analytical method is utilized for solving a relativistic average atom model for high-temperature plasmas. Semi-analytical wave function and the corresponding energy eigenvalue, containing only a numerical factor, are obtained by fitting the potential function in the average atom into hydrogen-like one. The full equations for the model are enumerated, and more attentions are paid upon the detailed procedures including the numerical techniques and computer code design. When the temperature of plasmas is comparatively high, the semi-analytical results agree quite well with those obtained by using a full numerical method for the same model and with those calculated by just a little different physical models, and the result's accuracy and computation efficiency are worthy of note. The drawbacks for this model are also analyzed. (authors)

  13. Time-Averaged Adiabatic Potentials: Versatile Matter-Wave Guides and Atom Traps

    International Nuclear Information System (INIS)

    Lesanovsky, Igor; Klitzing, Wolf von

    2007-01-01

    We demonstrate a novel class of trapping potentials, time-averaged adiabatic potentials (TAAP), which allows the generation of a large variety of traps for quantum gases and matter-wave guides for atom interferometers. Examples include stacks of pancakes, rows of cigars, and multiple rings or sickles. The traps can be coupled through controllable tunneling barriers or merged altogether. We present analytical expressions for pancake-, cigar-, and ring-shaped traps. The ring geometry is of particular interest for guided matter-wave interferometry as it provides a perfectly smooth waveguide of widely tunable diameter and thus adjustable sensitivity of the interferometer. The flexibility of the TAAP would make possible the use of Bose-Einstein condensates as coherent matter waves in large-area atom interferometers

  14. Variational methods in electron-atom scattering theory

    CERN Document Server

    Nesbet, Robert K

    1980-01-01

    The investigation of scattering phenomena is a major theme of modern physics. A scattered particle provides a dynamical probe of the target system. The practical problem of interest here is the scattering of a low­ energy electron by an N-electron atom. It has been difficult in this area of study to achieve theoretical results that are even qualitatively correct, yet quantitative accuracy is often needed as an adjunct to experiment. The present book describes a quantitative theoretical method, or class of methods, that has been applied effectively to this problem. Quantum mechanical theory relevant to the scattering of an electron by an N-electron atom, which may gain or lose energy in the process, is summarized in Chapter 1. The variational theory itself is presented in Chapter 2, both as currently used and in forms that may facilitate future applications. The theory of multichannel resonance and threshold effects, which provide a rich structure to observed electron-atom scattering data, is presented in Cha...

  15. Schwinger variational principle in scattering problems of charged particles on mesic atoms and atoms

    International Nuclear Information System (INIS)

    Belyaev, V.B.; Zubarev, A.L.; Podkopaev, A.P.

    1978-01-01

    The Schwinger variational principle is applied to solve the problems of atomic physics. A separable approximation for a Hamiltonian of a bound subsystem is used. The length of e + H-scattering and the elastic p(dμ)-scattering cross section are calculated in the second Born approximation

  16. Free-free opacity in dense plasmas with an average atom model

    International Nuclear Information System (INIS)

    Shaffer, Nathaniel R.; Ferris, Natalie G.; Colgan, James Patrick; Kilcrease, David Parker; Starrett, Charles Edward

    2017-01-01

    A model for the free-free opacity of dense plasmas is presented. The model uses a previously developed average atom model, together with the Kubo-Greenwood model for optical conductivity. This, in turn, is used to calculate the opacity with the Kramers-Kronig dispersion relations. Furthermore, comparisons to other methods for dense deuterium results in excellent agreement with DFT-MD simulations, and reasonable agreement with a simple Yukawa screening model corrected to satisfy the conductivity sum rule.

  17. 16 CFR 500.25 - Net quantity, average quantity, permitted variations.

    Science.gov (United States)

    2010-01-01

    ... good distribution practice and which unavoidably result in change of weight or mass or measure. (c... good packaging practice: Provided, that such variations shall not be permitted to such extent that the... 16 Commercial Practices 1 2010-01-01 2010-01-01 false Net quantity, average quantity, permitted...

  18. First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction

    International Nuclear Information System (INIS)

    Zhao Xiu-Qin; Liu Ni; Liang Jiu-Qing

    2017-01-01

    In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. (paper)

  19. Analysis of the average daily radon variations in the soil air

    International Nuclear Information System (INIS)

    Holy, K.; Matos, M.; Boehm, R.; Stanys, T.; Polaskova, A.; Hola, O.

    1998-01-01

    In this contribution the search of the relation between the daily variations of the radon concentration and the regular daily oscillations of the atmospheric pressure are presented. The deviation of the radon activity concentration in the soil air from the average daily value reaches only a few percent. For the dry summer months the average daily course of the radon activity concentration can be described by the obtained equation. The analysis of the average daily courses could give the information concerning the depth of the gas permeable soil layer. The soil parameter is determined by others method with difficulty

  20. Self-consistent average-atom scheme for electronic structure of hot and dense plasmas of mixture

    International Nuclear Information System (INIS)

    Yuan Jianmin

    2002-01-01

    An average-atom model is proposed to treat the electronic structures of hot and dense plasmas of mixture. It is assumed that the electron density consists of two parts. The first one is a uniform distribution with a constant value, which is equal to the electron density at the boundaries between the atoms. The second one is the total electron density minus the first constant distribution. The volume of each kind of atom is proportional to the sum of the charges of the second electron part and of the nucleus within each atomic sphere. By this way, one can make sure that electrical neutrality is satisfied within each atomic sphere. Because the integration of the electron charge within each atom needs the size of that atom in advance, the calculation is carried out in a usual self-consistent way. The occupation numbers of electron on the orbitals of each kind of atom are determined by the Fermi-Dirac distribution with the same chemical potential for all kinds of atoms. The wave functions and the orbital energies are calculated with the Dirac-Slater equations. As examples, the electronic structures of the mixture of Au and Cd, water (H 2 O), and CO 2 at a few temperatures and densities are presented

  1. Self-consistent average-atom scheme for electronic structure of hot and dense plasmas of mixture.

    Science.gov (United States)

    Yuan, Jianmin

    2002-10-01

    An average-atom model is proposed to treat the electronic structures of hot and dense plasmas of mixture. It is assumed that the electron density consists of two parts. The first one is a uniform distribution with a constant value, which is equal to the electron density at the boundaries between the atoms. The second one is the total electron density minus the first constant distribution. The volume of each kind of atom is proportional to the sum of the charges of the second electron part and of the nucleus within each atomic sphere. By this way, one can make sure that electrical neutrality is satisfied within each atomic sphere. Because the integration of the electron charge within each atom needs the size of that atom in advance, the calculation is carried out in a usual self-consistent way. The occupation numbers of electron on the orbitals of each kind of atom are determined by the Fermi-Dirac distribution with the same chemical potential for all kinds of atoms. The wave functions and the orbital energies are calculated with the Dirac-Slater equations. As examples, the electronic structures of the mixture of Au and Cd, water (H2O), and CO2 at a few temperatures and densities are presented.

  2. Influence of average ion energy and atomic oxygen flux per Si atom on the formation of silicon oxide permeation barrier coatings on PET

    Science.gov (United States)

    Mitschker, F.; Wißing, J.; Hoppe, Ch; de los Arcos, T.; Grundmeier, G.; Awakowicz, P.

    2018-04-01

    The respective effect of average incorporated ion energy and impinging atomic oxygen flux on the deposition of silicon oxide (SiO x ) barrier coatings for polymers is studied in a microwave driven low pressure discharge with additional variable RF bias. Under consideration of plasma parameters, bias voltage, film density, chemical composition and particle fluxes, both are determined relative to the effective flux of Si atoms contributing to film growth. Subsequently, a correlation with barrier performance and chemical structure is achieved by measuring the oxygen transmission rate (OTR) and by performing x-ray photoelectron spectroscopy. It is observed that an increase in incorporated energy to 160 eV per deposited Si atom result in an enhanced cross-linking of the SiO x network and, therefore, an improved barrier performance by almost two orders of magnitude. Furthermore, independently increasing the number of oxygen atoms to 10 500 per deposited Si atom also lead to a comparable barrier improvement by an enhanced cross-linking.

  3. Using Balls of Different Sports To Model the Variation of Atomic Sizes

    Science.gov (United States)

    Pinto, Gabriel

    1998-06-01

    In this article, an analogy is described about the order of magnitude of the variation of atomic sizes that can be used for discussion in introductory chemistry classes. The order of magnitude of this variation, involving microscopic magnitudes, is difficult for students to imagine. For the most part, the students are very familiar with the world of sports. In any case for example, the teacher can make use of the wide, informative coverage given to the olympic games or similar events, where different sports are televised in a few days. The radii of official balls for seven well-known sports are given, and students must assign an atom to each ball by using tabulated single-bond, covalent radii and by assigning the smallest ball (i.e., corresponding to ping-pong) to the smallest atom (i.e., hydrogen). The balls can also be used to show how the ionic radii change upon ionization.

  4. Modulation of galactic cosmic ray anisotropy in heliomagnetosphere: average sidereal daily variation

    International Nuclear Information System (INIS)

    Nagashima, K.; Morishita, I.; Yasue, S.

    1982-01-01

    The modulation of galactic anisotropy of cosmic rays caused by their deflection in the heliomagnetosphere is formulated. According to the formulation, the average sidereal i-th (2=1,2...) harmonic daily variation produced [from the anisotropy from an arbitrary direction can be expressed] by a linear combination of three basic vectors for unidirectional anisotropy and five basic vectors for bi-directional anisotropy. The general characteristics and main features of the sidereal daily variations in the modulation of the cosmic ray anistropy are presented. (U.K.)

  5. Large-scale atomic calculations using variational methods

    International Nuclear Information System (INIS)

    Joensson, Per.

    1995-01-01

    Atomic properties, such as radiative lifetimes, hyperfine structures and isotope shift, have been studied both theoretically and experimentally. Computer programs which calculate these properties from multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) wave functions have been developed and tested. To study relativistic effects, a program which calculates hyperfine structures from multiconfiguration Dirac-Fock (MCDF) wave functions has also been written. A new method of dealing with radial non-orthogonalities in transition matrix elements has been investigated. This method allows two separate orbital sets to be used for the initial and final states, respectively. It is shown that, once the usual orthogonality restrictions have been overcome, systematic MCHF calculations are able to predict oscillator strengths in light atoms with high accuracy. In connection with recent high-power laser experiments, time-dependent calculations of the atomic response to intense laser fields have been performed. Using the frozen-core approximation, where the atom is modeled as an active electron moving in the average field of the core electrons and the nucleus, the active electron has been propagated in time under the influence of the laser field. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay following laser excitation in the vacuum ultraviolet spectral region, the radiative lifetimes and hyperfine structures of the 7p 2 P states in silver have been measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest 2P states in sodium and silver. 77 refs, 2 figs, 14 tabs

  6. Large-scale atomic calculations using variational methods

    Energy Technology Data Exchange (ETDEWEB)

    Joensson, Per

    1995-01-01

    Atomic properties, such as radiative lifetimes, hyperfine structures and isotope shift, have been studied both theoretically and experimentally. Computer programs which calculate these properties from multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) wave functions have been developed and tested. To study relativistic effects, a program which calculates hyperfine structures from multiconfiguration Dirac-Fock (MCDF) wave functions has also been written. A new method of dealing with radial non-orthogonalities in transition matrix elements has been investigated. This method allows two separate orbital sets to be used for the initial and final states, respectively. It is shown that, once the usual orthogonality restrictions have been overcome, systematic MCHF calculations are able to predict oscillator strengths in light atoms with high accuracy. In connection with recent high-power laser experiments, time-dependent calculations of the atomic response to intense laser fields have been performed. Using the frozen-core approximation, where the atom is modeled as an active electron moving in the average field of the core electrons and the nucleus, the active electron has been propagated in time under the influence of the laser field. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay following laser excitation in the vacuum ultraviolet spectral region, the radiative lifetimes and hyperfine structures of the 7p{sup 2}P states in silver have been measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest 2P states in sodium and silver. 77 refs, 2 figs, 14 tabs.

  7. The atomic weight and isotopic composition of boron and their variation in nature

    International Nuclear Information System (INIS)

    Holden, N.E.

    1993-01-01

    The boron isotopic composition and atomic weight value and their variation in nature are reviewed. Questions are raised about the previously recommended value and the uncertainty for the atomic weight. The problem of what constitutes an acceptable range for normal material and what should then be considered geologically exceptional is discussed. Recent measurements make some previous decisions in need of re-evaluation

  8. 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.

  9. Atomic process calculations in hot dense plasmas using average atom models

    International Nuclear Information System (INIS)

    Velarde, G.; Aragones, J.M.; Gamez, L.; Honrubia, J.J.; Martinez-Val, J.M.; Minguez, E.; Ocana, J.L.; Perlado, J.M.; Serrano, J.F.

    1987-01-01

    During the past years, an important effort has been devoted in the authors Institute to develop the NORCLA code, which in the first version was characterized by the following features: one-dimensional lagrangian mesh; equilibrium between radiation, ion and electron species; local alpha energy deposition; neutron transport by the discrete ordinates method and analytical equation of state, opacities and conductivities. In the successive versions of NORCLA, EOS and electron conductivities were modified by the pressure ionization and degeneracy corrections; a module was also developed for computing the energy deposition of the incident ion beams coupled to the energy equation, and a code to calculate the alpha particle transport and energy deposition. Recently, a 3T version of the NORCLA code, with tabular EOS, opacities and conductivities, laser ray tracing and suprathermal electrons transport has been produced. In this article, the atomic physic models developed to determine more accurate the atomic data, such as EOS and opacities are explained, giving a brief description and a comparison of them. As a result of this development, a DENIM Atomic Data Library is being generated, taking some data and procedures from the SESAME Library. This library is presented, including a comparison of the opacity data for aluminium and iron at different densities and temperatures. Conclusions about this work are presented, and the ongoing developments summarized

  10. Average and extreme multi-atom Van der Waals interactions: Strong coupling of multi-atom Van der Waals interactions with covalent bonding

    Directory of Open Access Journals (Sweden)

    Finkelstein Alexei V

    2007-07-01

    Full Text Available Abstract Background The prediction of ligand binding or protein structure requires very accurate force field potentials – even small errors in force field potentials can make a 'wrong' structure (from the billions possible more stable than the single, 'correct' one. However, despite huge efforts to optimize them, currently-used all-atom force fields are still not able, in a vast majority of cases, even to keep a protein molecule in its native conformation in the course of molecular dynamics simulations or to bring an approximate, homology-based model of protein structure closer to its native conformation. Results A strict analysis shows that a specific coupling of multi-atom Van der Waals interactions with covalent bonding can, in extreme cases, increase (or decrease the interaction energy by about 20–40% at certain angles between the direction of interaction and the covalent bond. It is also shown that on average multi-body effects decrease the total Van der Waals energy in proportion to the square root of the electronic component of dielectric permittivity corresponding to dipole-dipole interactions at small distances, where Van der Waals interactions take place. Conclusion The study shows that currently-ignored multi-atom Van der Waals interactions can, in certain instances, lead to significant energy effects, comparable to those caused by the replacement of atoms (for instance, C by N in conventional pairwise Van der Waals interactions.

  11. Quantum averaging and resonances: two-level atom in a one-mode classical laser field

    Directory of Open Access Journals (Sweden)

    M. Amniat-Talab

    2007-06-01

    Full Text Available   We use a nonperturbative method based on quantum averaging and an adapted from of resonant transformations to treat the resonances of the Hamiltonian of a two-level atom interacting with a one-mode classical field in Floquet formalism. We illustrate this method by extraction of effective Hamiltonians of the system in two regimes of weak and strong coupling. The results obtained in the strong-coupling regime, are valid in the whole range of the coupling constant for the one-photon zero-field resonance.

  12. The Influence of Atoms-in Molecules Methods on Shared Electron Distribution Indices and Domain Averaged Fermi Holes

    Czech Academy of Sciences Publication Activity Database

    Bultinck, P.; Cooper, D.L.; Ponec, Robert

    2010-01-01

    Roč. 114, č. 33 (2010), s. 8754-8763 ISSN 1089-5639 R&D Projects: GA ČR GA203/09/0118 Institutional research plan: CEZ:AV0Z40720504 Keywords : shared electron distribution index * domain averaged fermi holes * atoms in molecules Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.732, year: 2010

  13. Isotope-abundance variations and atomic weights of selected elements: 2016 (IUPAC Technical Report)

    Science.gov (United States)

    Coplen, Tyler B.; Shrestha, Yesha

    2016-01-01

    There are 63 chemical elements that have two or more isotopes that are used to determine their standard atomic weights. The isotopic abundances and atomic weights of these elements can vary in normal materials due to physical and chemical fractionation processes (not due to radioactive decay). These variations are well known for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium), and the standard atomic weight of each of these elements is given by IUPAC as an interval with lower and upper bounds. Graphical plots of selected materials and compounds of each of these elements have been published previously. Herein and at the URL http://dx.doi.org/10.5066/F7GF0RN2, we provide isotopic abundances, isotope-delta values, and atomic weights for each of the upper and lower bounds of these materials and compounds.

  14. Atomic transition energies and the variation of the fine-structure constant α

    International Nuclear Information System (INIS)

    Borschevsky, Anastasia; Eliav, Ephraim; Ishikawa, Yasuyuki; Kaldor, Uzi

    2006-01-01

    Relativistic energy shifts of atomic excitation energies, showing the dependence of these energies on the value of the fine-structure constant α, are needed to extract past changes in α from spectra of distant quasars. These shifts are calculated by the Fock-space coupled cluster method and its extrapolated intermediate Hamiltonian extension, which allow high-accuracy treatment of electron correlation. The accuracy of the method is tested by comparing 33 transition energies in heavy atoms (obtained with the laboratory α) with experiment; the average error is 258 cm -1 , and the largest error is 711 cm -1 . This may be compared with an average error of 432 cm -1 and a maximum error of 2150 cm -1 in the work of Dzuba et al., who reported most of the available energy shift calculations. The enhanced accuracy is due to more extensive inclusion of electron correlation. To obtain the energy shifts, we repeated the calculations with different values of α (within 0.1% of the current value). Our shifts differ by up to 30% from the values given by Dzuba et al., with an average difference of 9%. Based on the better quality of the present-day excitation energies, we believe the energy shifts reported here are more accurate than earlier work

  15. Average features of cosmic ray variation associated with sudden commencement of magnetic storm

    International Nuclear Information System (INIS)

    Wada, Masami; Suda, Tomoshige.

    1980-01-01

    In order to obtain average features of cosmic ray variation associated with a passage of shock front in space, superposed epoch analysis of cosmic ray intensity with respect to the time of occurrence of sudden commencement (SC) of magnetic storm during solar cycle 20, 1964 - 1975, is carried out for hundreds of SC. When SC's are distributed evenly over the day, the onset in cosmic ray decrease is seen clearly within one hour of SC, followed by a sharp decrease in the intensity, but without any precursory fluctuation. The magnitude distribution and the rigidity spectrum for maximum depression show the features of Forbush decrease (FD). Superposed epoch analysis is also applied to solar wind and the interplanetary magnetic field data, and their relation to cosmic ray variation is studied. Effects of the superposition of the isotropic and anisotropic variations on the time profile of cosmic ray intensity observed at a station are discussed. (author)

  16. Average and local structure of α-CuI by configurational averaging

    International Nuclear Information System (INIS)

    Mohn, Chris E; Stoelen, Svein

    2007-01-01

    Configurational Boltzmann averaging together with density functional theory are used to study in detail the average and local structure of the superionic α-CuI. We find that the coppers are spread out with peaks in the atom-density at the tetrahedral sites of the fcc sublattice of iodines. We calculate Cu-Cu, Cu-I and I-I pair radial distribution functions, the distribution of coordination numbers and the distribution of Cu-I-Cu, I-Cu-I and Cu-Cu-Cu bond-angles. The partial pair distribution functions are in good agreement with experimental neutron diffraction-reverse Monte Carlo, extended x-ray absorption fine structure and ab initio molecular dynamics results. In particular, our results confirm the presence of a prominent peak at around 2.7 A in the Cu-Cu pair distribution function as well as a broader, less intense peak at roughly 4.3 A. We find highly flexible bonds and a range of coordination numbers for both iodines and coppers. This structural flexibility is of key importance in order to understand the exceptional conductivity of coppers in α-CuI; the iodines can easily respond to changes in the local environment as the coppers diffuse, and a myriad of different diffusion-pathways is expected due to the large variation in the local motifs

  17. The atomic weight and isotopic composition of nitrogen and their variation in nature

    International Nuclear Information System (INIS)

    Holden, N.E.

    1987-01-01

    Two stable isotopes of nitrogen exist in nature, 14 N and 15 N. The less abundant isotope, 15 N, was discovered in 1929 by Naude, who studied the band spectra of nitric oxide, NO. However, the main source of a standard for this element is the air in the atmosphere, which is made up of approximately 78% N 2 . Reviewed in this paper is the measurements of the isotopic composition in air and its variation around the world. Also investigated is the variation of the isotopic composition in the various compounds or sources of nitrogen compared to the value in air. Data on the atomic weight and non-terrestrial data for nitrogen is also reviewed

  18. Sub-Doppler temperature measurements of laser-cooled atoms using optical nanofibres

    International Nuclear Information System (INIS)

    Russell, Laura; Daly, Mark J; Chormaic, Síle Nic; Deasy, Kieran; Morrissey, Michael J

    2012-01-01

    We present a method for measuring the average temperature of a cloud of cold 85 Rb atoms in a magneto-optical trap using an optical nanofibre. A periodic spatial variation is applied to the magnetic fields generated by the trapping coils and this causes the trap centre to oscillate, which, in turn, causes the cloud of cold atoms to oscillate. The optical nanofibre is used to collect the fluorescence emitted by the cold atoms, and the frequency response between the motion of the centre of the oscillating trap and the cloud of atoms is determined. This allows us to make measurements of cloud temperature both above and below the Doppler limit, thereby paving the way for nanofibres to be integrated with ultracold atoms for hybrid quantum devices

  19. An Experimental Observation of Axial Variation of Average Size of Methane Clusters in a Gas Jet

    International Nuclear Information System (INIS)

    Ji-Feng, Han; Chao-Wen, Yang; Jing-Wei, Miao; Jian-Feng, Lu; Meng, Liu; Xiao-Bing, Luo; Mian-Gong, Shi

    2010-01-01

    Axial variation of average size of methane clusters in a gas jet produced by supersonic expansion of methane through a cylindrical nozzle of 0.8 mm in diameter is observed using a Rayleigh scattering method. The scattered light intensity exhibits a power scaling on the backing pressure ranging from 16 to 50 bar, and the power is strongly Z dependent varying from 8.4 (Z = 3 mm) to 5.4 (Z = 11 mm), which is much larger than that of the argon cluster. The scattered light intensity versus axial position shows that the position of 5 mm has the maximum signal intensity. The estimation of the average cluster size on axial position Z indicates that the cluster growth process goes forward until the maximum average cluster size is reached at Z = 9 mm, and the average cluster size will decrease gradually for Z > 9 mm

  20. Electron-impact ionization of atomic hydrogen: dynamical variational treatment

    Energy Technology Data Exchange (ETDEWEB)

    Defrance, P.; Lecointre, J. [Institute of Condensed Matter and Nanosciences, Universite Catholique de Louvain, Louvain-la-Neuve (Belgium); Kereselidze, T.; Machavariani, Z.S. [Department of Exact and Natural Sciences, Tbilissi State University, Tbilissi (Georgia)

    2011-10-15

    A simple and straightforward calculating scheme is proposed for electron-impact single and multiple ionization of atoms. The method is based on the application of the Hulthen-Kohn dynamical variational principle. An effective charge seen by the scattered electron is determined for a certain type of trial wave functions mathematically in a rigorous way excluding any empirical assumptions. Validity of the elaborated approach is assessed by calculating triply differential cross section (TDCS) for electron-impact ionization of hydrogen. It is shown that, inclusion of the effective charge into the calculation reduces height of a 'binary peak' in comparison with the first Born approximation result. The height of a 'recoil peak' depends on the sign of the effective charge. The calculated TDCS are compared with the available experimental data and with the results of sophisticated theories and agreement is found. (authors)

  1. Variational-integral perturbation corrections of some lower excited states for hydrogen atoms in magnetic fields

    International Nuclear Information System (INIS)

    Yuan Lin; Zhou Ben-Hu; Zhao Yun-Hui; Xu Jun; Hai Wen-Hua

    2012-01-01

    A variational-integral perturbation method (VIPM) is established by combining the variational perturbation with the integral perturbation. The first-order corrected wave functions are constructed, and the second-order energy corrections for the ground state and several lower excited states are calculated by applying the VIPM to the hydrogen atom in a strong uniform magnetic field. Our calculations demonstrated that the energy calculated by the VIPM only shows a negative value, which indicates that the VIPM method is more accurate than the other methods. Our study indicated that the VIPM can not only increase the accuracy of the results but also keep the convergence of the wave functions

  2. Thermal motion in proteins: Large effects on the time-averaged interaction energies

    International Nuclear Information System (INIS)

    Goethe, Martin; Rubi, J. Miguel; Fita, Ignacio

    2016-01-01

    As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothing effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.

  3. Thermal motion in proteins: Large effects on the time-averaged interaction energies

    Energy Technology Data Exchange (ETDEWEB)

    Goethe, Martin, E-mail: martingoethe@ub.edu; Rubi, J. Miguel [Departament de Física Fonamental, Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Fita, Ignacio [Institut de Biologia Molecular de Barcelona, Baldiri Reixac 10, 08028 Barcelona (Spain)

    2016-03-15

    As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothing effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.

  4. Important consequences of atomic diffusion inside main-sequence stars: opacities, extra-mixing, oscillations

    Directory of Open Access Journals (Sweden)

    Deal M.

    2017-01-01

    Full Text Available Atomic diffusion, including the effects of radiative accelerations on individual elements, leads to important variations of the chemical composition inside stars. The accumulation of important elements in specific layers leads to a local increase of the average opacity and to hydrodynamic instabilities that modify the internal stellar structure. This can also have important consequences for asteroseismology.

  5. Observation of dynamic atom-atom correlation in liquid helium in real space.

    Science.gov (United States)

    Dmowski, W; Diallo, S O; Lokshin, K; Ehlers, G; Ferré, G; Boronat, J; Egami, T

    2017-05-04

    Liquid 4 He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom-atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4 He atoms in the Bose-Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDF peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom-atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.

  6. The softness of an atom in a molecule and a functional group softness definition; an LCAO scale

    International Nuclear Information System (INIS)

    Giambiagi, M.; Giambiagi, M.S. de; Pires, J.M.; Pitanga, P.

    1987-01-01

    We introduce a scale for the softness of an atom in different molecules and we similarly define a functional group softness. These definitions, unlike previous ones, are not tied to the finite difference approximation neither, hence, to valence state ionization potentials and electron affinities; they result from the LCAO calculation itself. We conclude that a) the softness of an atom in a molecule shows wide variations; b) the geometric average of the softnesses of the atoms in the molecule gives the most consistent results for the molecular softnesses; c) the functional group softness is transferable within a homologous series. (Author) [pt

  7. Recent developments in trapping and manipulation of atoms with adiabatic potentials

    Science.gov (United States)

    Garraway, Barry M.; Perrin, Hélène

    2016-09-01

    A combination of static and oscillating magnetic fields can be used to ‘dress’ atoms with radio-frequency (RF), or microwave, radiation. The spatial variation of these fields can be used to create an enormous variety of traps for ultra-cold atoms and quantum gases. This article reviews the type and character of these adiabatic traps and the applications which include atom interferometry and the study of low-dimensional quantum systems. We introduce the main concepts of magnetic traps leading to adiabatic dressed traps. The concept of adiabaticity is discussed in the context of the Landau-Zener model. The first bubble trap experiment is reviewed together with the method used for loading it. Experiments based on atom chips show the production of double wells and ring traps. Dressed atom traps can be evaporatively cooled with an additional RF field, and a weak RF field can be used to probe the spectroscopy of the adiabatic potentials. Several approaches to ring traps formed from adiabatic potentials are discussed, including those based on atom chips, time-averaged adiabatic potentials and induction methods. Several proposals for adiabatic lattices with dressed atoms are also reviewed.

  8. Influence of Poisson's ratio variation on lateral spring constant of atomic force microscopy cantilevers

    International Nuclear Information System (INIS)

    Yeh, M.-K.; Tai, N.-Ha; Chen, B.-Y.

    2008-01-01

    Atomic force microscopy (AFM) can be used to measure the surface morphologies and the mechanical properties of nanostructures. The force acting on the AFM cantilever can be obtained by multiplying the spring constant of AFM cantilever and the corresponding deformation. To improve the accuracy of force experiments, the spring constant of AFM cantilever must be calibrated carefully. Many methods, such as theoretical equations, the finite element method, and the use of reference cantilever, were reported to obtain the spring constant of AFM cantilevers. For the cantilever made of single crystal, the Poisson's ratio varies with different cantilever-crystal angles. In this paper, the influences of Poisson's ratio variation on the lateral spring constant and axial spring constant of rectangular and V-shaped AFM cantilevers, with different tilt angles and normal forces, were investigated by the finite element analysis. When the cantilever's tilt angle is 20 deg. and the Poisson's ratio varies from 0.02 to 0.4, the finite element results show that the lateral spring constants decrease 11.75% for the rectangular cantilever with 1 μN landing force and decrease 18.60% for the V-shaped cantilever with 50 nN landing force, respectively. The influence of Poisson's ratio variation on axial spring constant is less than 3% for both rectangular and V-shaped cantilevers. As the tilt angle increases, the axial spring constants for rectangular and V-shaped cantilevers decrease substantially. The results obtained can be used to improve the accuracy of the lateral force measurement when using atomic force microscopy

  9. Average of delta: a new quality control tool for clinical laboratories.

    Science.gov (United States)

    Jones, Graham R D

    2016-01-01

    Average of normals is a tool used to control assay performance using the average of a series of results from patients' samples. Delta checking is a process of identifying errors in individual patient results by reviewing the difference from previous results of the same patient. This paper introduces a novel alternate approach, average of delta, which combines these concepts to use the average of a number of sequential delta values to identify changes in assay performance. Models for average of delta and average of normals were developed in a spreadsheet application. The model assessed the expected scatter of average of delta and average of normals functions and the effect of assay bias for different values of analytical imprecision and within- and between-subject biological variation and the number of samples included in the calculations. The final assessment was the number of patients' samples required to identify an added bias with 90% certainty. The model demonstrated that with larger numbers of delta values, the average of delta function was tighter (lower coefficient of variation). The optimal number of samples for bias detection with average of delta was likely to be between 5 and 20 for most settings and that average of delta outperformed average of normals when the within-subject biological variation was small relative to the between-subject variation. Average of delta provides a possible additional assay quality control tool which theoretical modelling predicts may be more valuable than average of normals for analytes where the group biological variation is wide compared with within-subject variation and where there is a high rate of repeat testing in the laboratory patient population. © The Author(s) 2015.

  10. Zonally averaged chemical-dynamical model of the lower thermosphere

    International Nuclear Information System (INIS)

    Kasting, J.F.; Roble, R.G.

    1981-01-01

    A zonally averaged numerical model of the thermosphere is used to examine the coupling between neutral composition, including N 2 , O 2 and O, temperature, and winds at solstice for solar minimum conditions. The meridional circulation forced by solar heating results in a summer-to-winter flow, with a winter enhancement in atomic oxygen density that is a factor of about 1.8 greater than the summer hemisphere at 160 km. The O 2 and N 2 variations are associated with a latitudinal gradient in total number density, which is required to achieve pressure balance in the presence of large zonal jets. Latitudinal profiles OI (5577A) green line emission intensity are calculated by using both Chapman and Barth mechanisms. Composition of the lower thermosphere is shown to be strongly influenced by circulation patterns initiated in the stratosphere and lower mesosphere, below the lower boundary used in the model

  11. Compilation of data from hadronic atoms

    International Nuclear Information System (INIS)

    Poth, H.

    1979-01-01

    This compilation is a survey of the existing data of hadronic atoms (pionic-atoms, kaonic-atoms, antiprotonic-atoms, sigmonic-atoms). It collects measurements of the energies, intensities and line width of X-rays from hadronic atoms. Averaged values for each hadronic atom are given and the data are summarized. The listing contains data on 58 pionic-atoms, on 54 kaonic-atoms, on 23 antiprotonic-atoms and on 20 sigmonic-atoms. (orig./HB) [de

  12. Evolution Properties of Atomic Fidelity in the Combined Multi-Atom-Cavity Field System

    International Nuclear Information System (INIS)

    Wang Ju-Xia; Zhang Xiao-Juan; Zhang Xiu-Xing

    2015-01-01

    The atom fidelity is investigated in a system consisting of Mtwo-level atoms and M single-mode fields by use of complete quantum theory and numerical evaluation method. The influences of various system parameters on the evolution of atomic fidelity are studied. The results show that the atomic fidelity evolves in a Rabi oscillation manner. The oscillation frequency is mainly modulated by the coupling strength between atoms and light field, the atomic transition probabilities and the average photon numbers. Other factors hardly impact on the atomic fidelity. The present results may provide a useful approach to the maintenance of the atomic fidelity in the atom cavity field systems. (paper)

  13. Averaging and sampling for magnetic-observatory hourly data

    Directory of Open Access Journals (Sweden)

    J. J. Love

    2010-11-01

    Full Text Available A time and frequency-domain analysis is made of the effects of averaging and sampling methods used for constructing magnetic-observatory hourly data values. Using 1-min data as a proxy for continuous, geomagnetic variation, we construct synthetic hourly values of two standard types: instantaneous "spot" measurements and simple 1-h "boxcar" averages. We compare these average-sample types with others: 2-h average, Gaussian, and "brick-wall" low-frequency-pass. Hourly spot measurements provide a statistically unbiased representation of the amplitude range of geomagnetic-field variation, but as a representation of continuous field variation over time, they are significantly affected by aliasing, especially at high latitudes. The 1-h, 2-h, and Gaussian average-samples are affected by a combination of amplitude distortion and aliasing. Brick-wall values are not affected by either amplitude distortion or aliasing, but constructing them is, in an operational setting, relatively more difficult than it is for other average-sample types. It is noteworthy that 1-h average-samples, the present standard for observatory hourly data, have properties similar to Gaussian average-samples that have been optimized for a minimum residual sum of amplitude distortion and aliasing. For 1-h average-samples from medium and low-latitude observatories, the average of the combination of amplitude distortion and aliasing is less than the 5.0 nT accuracy standard established by Intermagnet for modern 1-min data. For medium and low-latitude observatories, average differences between monthly means constructed from 1-min data and monthly means constructed from any of the hourly average-sample types considered here are less than the 1.0 nT resolution of standard databases. We recommend that observatories and World Data Centers continue the standard practice of reporting simple 1-h-average hourly values.

  14. Average-atom model for two-temperature states and ionic transport properties of aluminum in the warm dense matter regime

    Science.gov (United States)

    Hou, Yong; Fu, Yongsheng; Bredow, Richard; Kang, Dongdong; Redmer, Ronald; Yuan, Jianmin

    2017-03-01

    The average-atom model combined with the hyper-netted chain approximation is an efficient tool for electronic and ionic structure calculations for warm dense matter. Here we generalize this method in order to describe non-equilibrium states with different electron and ion temperature as produced in laser-matter interactions on ultra-short time scales. In particular, the electron-ion and ion-ion correlation effects are considered when calculating the electron structure. We derive an effective ion-ion pair-potential using the electron densities in the framework of temperature-depended density functional theory. Using this ion-ion potential we perform molecular dynamics simulations in order to determine the ionic transport properties such as the ionic diffusion coefficient and the shear viscosity through the ionic velocity autocorrelation functions.

  15. Cold atoms close to surfaces

    DEFF Research Database (Denmark)

    Krüger, Peter; Wildermuth, Stephan; Hofferberth, Sebastian

    2005-01-01

    Microscopic atom optical devices integrated on atom chips allow to precisely control and manipulate ultra-cold (T atoms and Bose-Einstein condensates (BECs) close to surfaces. The relevant energy scale of a BEC is extremely small (down to ... be utilized as a sensor for variations of the potential energy of the atoms close to the surface. Here we describe how to use trapped atoms as a measurement device and analyze the performance and flexibility of the field sensor. We demonstrate microscopic magnetic imaging with simultaneous high spatial...

  16. 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)

  17. Electronic and atomic structures of liquid tellurium containing alkali elements

    International Nuclear Information System (INIS)

    Kawakita, Yukinobu; Yao, Makoto; Endo, Hirohisa.

    1997-01-01

    The measurements of electrical conductivity σ, density, EXAFS and neutron scattering were carried out for liquid K-Te and Rb-Te mixtures. The conductivity σ decreases rapidly with alkali concentration and a metal-semiconductor transition occurs at about 10 at.% alkali. It is found that the compositional variation of σ is nearly independent of the alkali species. The Te-Te bond length deduced from EXAFS and neutron scattering measurements is 2.8 A and changes little with alkali concentrations. The average distances from K and Rb atom to Te atoms are 3.6 A and 3.8 A, respectively. Two kinds of relaxation processes are observed in quasielastic neutron scattering for K 20 Te 80 . Upon the addition of alkali the interaction between the neighbouring Te chains, which is responsible for the metallic conduction, weaken considerably. (author)

  18. Bayesian Averaging is Well-Temperated

    DEFF Research Database (Denmark)

    Hansen, Lars Kai

    2000-01-01

    Bayesian predictions are stochastic just like predictions of any other inference scheme that generalize from a finite sample. While a simple variational argument shows that Bayes averaging is generalization optimal given that the prior matches the teacher parameter distribution the situation is l...

  19. Variation of Natural Gamma Radiation in Isparta

    International Nuclear Information System (INIS)

    Akkurt, I.

    2004-01-01

    There is always a radiation in the earth, and its level is generated primarily by galactic cosmic rays (GCR), consisting of energetic nuclei of all naturally occurring elements, interacting with atmospheric constituents, through atomic and nuclear collisions. The other sources of natural radiations are global average background radiation from terrestrial sources such as soils, rocks ete. Background radiation levels in the atmosphere vary in intensity with latitude, altitude and phase of the solar cycle. Variation of natural radiation as a function of altitude, geological structure etc has been investigated. The measurements were performed using portable radiation counter which connected to NaI(Tl) probe

  20. Storage ring to investigate cold unidimensional atomic collisions

    International Nuclear Information System (INIS)

    Marcassa, L. G.; Caires, A. R. L.; Nascimento, V. A.; Dulieu, O.; Weiner, J.; Bagnato, V. S.

    2005-01-01

    In this paper we employ a circulating ring of trapped atoms, that we have named the atomotron, to study cold collisions. The atomotron is obtained from a conventional magneto-optical trap when the two pairs of normally retroreflecting Gaussian laser beams in the x-y plane are slightly offset. Circulating stable atomic orbits then form a racetrack geometry in this plane. The circulating atom flux behaves similarly to an atomic beam with an average tangential velocity much greater than the transverse components, and is therefore suitable for one-dimensional atomic collision studies. Using the atomotron, we have investigated the polarization dependence of ultracold photoassociation collisions between Rb atoms circulating in the racetrack. The ability to investigate collisions in ultracold circulating atomic rings reveals alignment and orientation properties that are averaged away in ordinary three-dimensional magneto-optical trap collision processes

  1. Line splitting and modified atomic decay of atoms coupled with N quantized cavity modes

    Science.gov (United States)

    Zhu, Yifu

    1992-05-01

    We study the interaction of a two-level atom with N non-degenerate quantized cavity modes including dissipations from atomic decay and cavity damps. In the strong coupling regime, the absorption or emission spectrum of weakly excited atom-cavity system possesses N + 1 spectral peaks whose linewidths are the weighted averages of atomic and cavity linewidths. The coupled system shows subnatural (supernatural) atomic decay behavior if the photon loss rates from the N cavity modes are smaller (larger) than the atomic decay rate. If N cavity modes are degenerate, they can be treated effectively as a single mode. In addition, we present numerical calculations for N = 2 to characterize the system evolution from the weak coupling to strong coupling limits.

  2. A Statistical Mechanics Approach to Approximate Analytical Bootstrap Averages

    DEFF Research Database (Denmark)

    Malzahn, Dorthe; Opper, Manfred

    2003-01-01

    We apply the replica method of Statistical Physics combined with a variational method to the approximate analytical computation of bootstrap averages for estimating the generalization error. We demonstrate our approach on regression with Gaussian processes and compare our results with averages...

  3. Variational Monte Carlo Method with Dirichlet Boundary Conditions: Application to the Study of Confined Systems by Impenetrable Surfaces with Different Symmetries.

    Science.gov (United States)

    Sarsa, Antonio; Le Sech, Claude

    2011-09-13

    Variational Monte Carlo method is a powerful tool to determine approximate wave functions of atoms, molecules, and solids up to relatively large systems. In the present work, we extend the variational Monte Carlo approach to study confined systems. Important properties of the atoms, such as the spatial distribution of the electronic charge, the energy levels, or the filling of electronic shells, are modified under confinement. An expression of the energy very similar to the estimator used for free systems is derived. This opens the possibility to study confined systems with little changes in the solution of the corresponding free systems. This is illustrated by the study of helium atom in its ground state (1)S and the first (3)S excited state confined by spherical, cylindrical, and plane impenetrable surfaces. The average interelectronic distances are also calculated. They decrease in general when the confinement is stronger; however, it is seen that they present a minimum for excited states under confinement by open surfaces (cylindrical, planes) around the radii values corresponding to ionization. The ground (2)S and the first (2)P and (2)D excited states of the lithium atom are calculated under spherical constraints for different confinement radii. A crossing between the (2)S and (2)P states is observed around rc = 3 atomic units, illustrating the modification of the atomic energy level under confinement. Finally the carbon atom is studied in the spherical symmetry by using both variational and diffusion Monte Carlo methods. It is shown that the hybridized state sp(3) becomes lower in energy than the ground state (3)P due to a modification and a mixing of the atomic orbitals s, p under strong confinement. This result suggests a model, at least of pedagogical interest, to interpret the basic properties of carbon atom in chemistry.

  4. Inhomogeneous thermal expansion of metallic glasses in atomic-scale studied by in-situ synchrotron X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Taghvaei, Amir Hossein, E-mail: amirtaghvaei@gmail.com [Department of Materials Science and Engineering, Shiraz University of Technology, Shiraz (Iran, Islamic Republic of); Shakur Shahabi, Hamed [IFW Dresden, Institute for Complex Materials, Helmholtzstr. 20, 01069 Dresden (Germany); Bednarčik, Jozef [Photon Science DESY, Notkestraße 85, 22603 Hamburg (Germany); Eckert, Jürgen [IFW Dresden, Institute for Complex Materials, Helmholtzstr. 20, 01069 Dresden (Germany); TU Dresden, Institute of Materials Science, 01062 Dresden (Germany)

    2015-01-28

    Numerous investigations have demonstrated that the elastic strain in metallic glasses subjected to mechanical loading could be inhomogeneous in the atomic-scale and it increases with distance from an average atom and eventually reaches the macroscopic strain at larger inter-atomic distances. We have observed a similar behavior for the thermal strain imposed by heating of Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} glassy particles below the glass transition temperature by analysis of the scattering data obtained by in-situ high-energy synchrotron X-ray diffraction (XRD). The results imply that the volumetric thermal strains calculated from the shift in position of the principal diffraction maximum and reduced pair correlation function (PDF) peaks are in good agreement for the length scales beyond 0.6 nm, corresponding to the atoms located over the third near-neighbor shell. However, smaller and even negative volumetric thermal strains have been calculated based on the shifts in the positions of the second and first PDF peaks, respectively. The structural changes of Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} glassy particles are accompanied by decreasing the average coordination number of the first near-neighbor shell, which manifests the occurrence of local changes in the short-range order upon heating. It is believed that the detected length-scale dependence of the volumetric thermal strain is correlated with the local atomic rearrangements taking place in the topologically unstable regions of the glass governed by variations in the atomic-level stresses.

  5. Molecular invariants: atomic group valence

    International Nuclear Information System (INIS)

    Mundim, K.C.; Giambiagi, M.; Giambiagi, M.S. de.

    1988-01-01

    Molecular invariants may be deduced in a very compact way through Grassman algebra. In this work, a generalized valence is defined for an atomic group; it reduces to the Known expressions for the case of an atom in a molecule. It is the same of the correlations between the fluctions of the atomic charges qc and qd (C belongs to the group and D does not) around their average values. Numerical results agree with chemical expectation. (author) [pt

  6. Measurement of the indium segregation in InGaN based LEDs with single atom sensitivity

    International Nuclear Information System (INIS)

    Jinschek, Joerg; Kisielowski, Christian; Van Dyck, Dirk; Geuens, Philippe

    2003-01-01

    In light emitting diodes (LED) consisting of GaN/InGaN/GaN quantum wells (QWs), the exact indium distribution inside the wells of the active region affects the performance of devices. Indium segregation can take place forming small InGaN clusters of locally varying composition. In the past, we used a local strain analysis from single HRTEM lattice images to determine the In composition inside the InGaN QWs with a resolution of 0.5 nm x 0.3 nm. Truly atomic resolution can be pursued by exploitation of intensity dependencies on the atomic number (Z) of the electron exit-wave (EW). In microscopes with sufficient sensitivity, local variations of amplitude and phase are found to be discrete with sample thickness, which allows for counting the number of atoms in each individual column of ∼0.08 nm diameter. In QW s of ∼17 percent of average indium concentration it is possible to discriminate between pure Ga columns and columns containing 1, 2, 3, or more In atoms because phase changes are discrete and element specific. The preparation of samples with atomically flat surfaces is a limiting factor for the application of the procedure

  7. Electron scattering by hydrogen atoms

    International Nuclear Information System (INIS)

    Fujii, D.H.

    1981-02-01

    A variational method to calculate the differential cross section of the electron-hydrogen atom scattering process is presented. The second Born approximation is calculated, through a variational calculation using the energy and electronic charge simultaneously as parameters, in order to calculate the differential cross section which is written in a fractional form according to the Schwinger variational principle. Effects due to the electron change are included in the calculations. (L.C.) [pt

  8. Electric field imaging of single atoms

    Science.gov (United States)

    Shibata, Naoya; Seki, Takehito; Sánchez-Santolino, Gabriel; Findlay, Scott D.; Kohno, Yuji; Matsumoto, Takao; Ishikawa, Ryo; Ikuhara, Yuichi

    2017-01-01

    In scanning transmission electron microscopy (STEM), single atoms can be imaged by detecting electrons scattered through high angles using post-specimen, annular-type detectors. Recently, it has been shown that the atomic-scale electric field of both the positive atomic nuclei and the surrounding negative electrons within crystalline materials can be probed by atomic-resolution differential phase contrast STEM. Here we demonstrate the real-space imaging of the (projected) atomic electric field distribution inside single Au atoms, using sub-Å spatial resolution STEM combined with a high-speed segmented detector. We directly visualize that the electric field distribution (blurred by the sub-Å size electron probe) drastically changes within the single Au atom in a shape that relates to the spatial variation of total charge density within the atom. Atomic-resolution electric field mapping with single-atom sensitivity enables us to examine their detailed internal and boundary structures. PMID:28555629

  9. X-ray holography with an atomic scatterer

    Energy Technology Data Exchange (ETDEWEB)

    Mityureva, A.A.; Smirnov, V.V., E-mail: valery_smirnov@mail.ru

    2016-08-15

    X-ray holography scheme with reference scatterer consisting of heavy atom as reference center and its link to an object consisting of several light atoms and using controlled variation of the alignment is represented. The scheme can reproduce an object in three dimensions with atomic resolution. The distorting factors of reconstruction are considered. - Highlights: • X-ray holography scheme with a reference wave formed by atomic scatterer. • 3D object reconstruction with atomic resolution from the set of holograms. • Simple formula for the distorting factor in reconstruction.

  10. Controlling stray electric fields on an atom chip for experiments on Rydberg atoms

    Science.gov (United States)

    Davtyan, D.; Machluf, S.; Soudijn, M. L.; Naber, J. B.; van Druten, N. J.; van Linden van den Heuvell, H. B.; Spreeuw, R. J. C.

    2018-02-01

    Experiments handling Rydberg atoms near surfaces must necessarily deal with the high sensitivity of Rydberg atoms to (stray) electric fields that typically emanate from adsorbates on the surface. We demonstrate a method to modify and reduce the stray electric field by changing the adsorbate distribution. We use one of the Rydberg excitation lasers to locally affect the adsorbed dipole distribution. By adjusting the averaged exposure time we change the strength (with the minimal value less than 0.2 V /cm at 78 μ m from the chip) and even the sign of the perpendicular field component. This technique is a useful tool for experiments handling Rydberg atoms near surfaces, including atom chips.

  11. Pursuit of the Kramers-Henneberger atom

    Science.gov (United States)

    Wei, Qi; Wang, Pingxiao; Kais, Sabre; Herschbach, Dudley

    2017-09-01

    Superstrong femtosecond pulsed lasers can profoundly alter electronic structure of atoms and molecules. The oscillating laser field drives one or more electrons almost free. When averaged over, the rapid oscillations combine with the static Coulomb potential to create an effective binding potential. The consequent array of bound states comprises the ;Kramers-Henneberger Atom;. Theorists have brought forth many properties of KH atoms, yet convincing experimental evidence is meager. We examine a remarkable experiment accelerating atoms (Eichmann et al., 2009). It offers tantalizing evidence for the KH atom, with prospects for firm confirmation by adjustment of laser parameters.

  12. Average correlation clustering algorithm (ACCA) for grouping of co-regulated genes with similar pattern of variation in their expression values.

    Science.gov (United States)

    Bhattacharya, Anindya; De, Rajat K

    2010-08-01

    Distance based clustering algorithms can group genes that show similar expression values under multiple experimental conditions. They are unable to identify a group of genes that have similar pattern of variation in their expression values. Previously we developed an algorithm called divisive correlation clustering algorithm (DCCA) to tackle this situation, which is based on the concept of correlation clustering. But this algorithm may also fail for certain cases. In order to overcome these situations, we propose a new clustering algorithm, called average correlation clustering algorithm (ACCA), which is able to produce better clustering solution than that produced by some others. ACCA is able to find groups of genes having more common transcription factors and similar pattern of variation in their expression values. Moreover, ACCA is more efficient than DCCA with respect to the time of execution. Like DCCA, we use the concept of correlation clustering concept introduced by Bansal et al. ACCA uses the correlation matrix in such a way that all genes in a cluster have the highest average correlation values with the genes in that cluster. We have applied ACCA and some well-known conventional methods including DCCA to two artificial and nine gene expression datasets, and compared the performance of the algorithms. The clustering results of ACCA are found to be more significantly relevant to the biological annotations than those of the other methods. Analysis of the results show the superiority of ACCA over some others in determining a group of genes having more common transcription factors and with similar pattern of variation in their expression profiles. Availability of the software: The software has been developed using C and Visual Basic languages, and can be executed on the Microsoft Windows platforms. The software may be downloaded as a zip file from http://www.isical.ac.in/~rajat. Then it needs to be installed. Two word files (included in the zip file) need to

  13. Hidden Markov Model of atomic quantum jump dynamics in an optically probed cavity

    DEFF Research Database (Denmark)

    Gammelmark, S.; Molmer, K.; Alt, W.

    2014-01-01

    We analyze the quantum jumps of an atom interacting with a cavity field. The strong atom- field interaction makes the cavity transmission depend on the time dependent atomic state, and we present a Hidden Markov Model description of the atomic state dynamics which is conditioned in a Bayesian...... manner on the detected signal. We suggest that small variations in the observed signal may be due to spatial motion of the atom within the cavity, and we represent the atomic system by a number of hidden states to account for both the small variations and the internal state jump dynamics. In our theory...

  14. Computation of the average energy for LXY electrons

    International Nuclear Information System (INIS)

    Grau Carles, A.; Grau, A.

    1996-01-01

    The application of an atomic rearrangement model in which we only consider the three shells K, L and M, to compute the counting efficiency for electron capture nuclides, requires a fine averaged energy value for LMN electrons. In this report, we illustrate the procedure with two example, ''125 I and ''109 Cd. (Author) 4 refs

  15. 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.

  16. 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.

  17. Benchmarking statistical averaging of spectra with HULLAC

    Science.gov (United States)

    Klapisch, Marcel; Busquet, Michel

    2008-11-01

    Knowledge of radiative properties of hot plasmas is important for ICF, astrophysics, etc When mid-Z or high-Z elements are present, the spectra are so complex that one commonly uses statistically averaged description of atomic systems [1]. In a recent experiment on Fe[2], performed under controlled conditions, high resolution transmission spectra were obtained. The new version of HULLAC [3] allows the use of the same model with different levels of details/averaging. We will take advantage of this feature to check the effect of averaging with comparison with experiment. [1] A Bar-Shalom, J Oreg, and M Klapisch, J. Quant. Spectros. Rad. Transf. 65, 43 (2000). [2] J. E. Bailey, G. A. Rochau, C. A. Iglesias et al., Phys. Rev. Lett. 99, 265002-4 (2007). [3]. M. Klapisch, M. Busquet, and A. Bar-Shalom, AIP Conference Proceedings 926, 206-15 (2007).

  18. Self-consistent calculation of atomic structure for mixture

    International Nuclear Information System (INIS)

    Meng Xujun; Bai Yun; Sun Yongsheng; Zhang Jinglin; Zong Xiaoping

    2000-01-01

    Based on relativistic Hartree-Fock-Slater self-consistent average atomic model, atomic structure for mixture is studied by summing up component volumes in mixture. Algorithmic procedure for solving both the group of Thomas-Fermi equations and the self-consistent atomic structure is presented in detail, and, some numerical results are discussed

  19. Empirical atom model of Vegard's law

    International Nuclear Information System (INIS)

    Zhang, Lei; Li, Shichun

    2014-01-01

    Vegard's law seldom holds true for most binary continuous solid solutions. When two components form a solid solution, the atom radii of component elements will change to satisfy the continuity requirement of electron density at the interface between component atom A and atom B so that the atom with larger electron density will expand and the atom with the smaller one will contract. If the expansion and contraction of the atomic radii of A and B respectively are equal in magnitude, Vegard's law will hold true. However, the expansion and contraction of two component atoms are not equal in most situations. The magnitude of the variation will depend on the cohesive energy of corresponding element crystals. An empirical atom model of Vegard's law has been proposed to account for signs of deviations according to the electron density at Wigner–Seitz cell from Thomas–Fermi–Dirac–Cheng model

  20. Atomic-absorption determination of tantalum and niobium in ore concentrates

    International Nuclear Information System (INIS)

    Elinson, S.V.; Korovin, Yu.I.; Kuchumov, V.A.

    1975-01-01

    A flame atom-absorption method was developed for determining tantalum and niobium at their level greater than 5% in Ta-Nb ore concentrates. Flame was produced by a nitrous oxide-acetylene mixture. The optimal composition of a buffer (3 mg/ml) of iron was determined by the method of factorial planning of the experiment and steep ascention by gradient. The optimizing parameter in factorial planning was obtained from the difference of optical densities of Ta and Nb, by taking the average value for two solutions which had dissimilar total composition and which imitated the real composition of the ore concentrates, i.e., the value of (ΔD/Dsub(av))sub(Ta) or (ΔD/Dsub(av))sub(Nb). The optimization of analytical conditions corresponded to the condition (ΔD/Dsub(av))→ 0, which indicated that the chosen optimizing parameter also facilitated the attainment of maximum D values. The variation coefficient in the determination of Ta and Nb was respectively 0.8 and 1.4%. There was a good agreement between the results obtained in Ta analysis by the atom-absorption and the extraction-gravimetric methods, and in Nb analysis by the atom-absorption, differential spectrophotometric and x-ray fluorescence methods

  1. Variation of High-Intensity Therapeutic Ultrasound (HITU) Pressure Field Characterization: Effects of Hydrophone Choice, Nonlinearity, Spatial Averaging and Complex Deconvolution.

    Science.gov (United States)

    Liu, Yunbo; Wear, Keith A; Harris, Gerald R

    2017-10-01

    Reliable acoustic characterization is fundamental for patient safety and clinical efficacy during high-intensity therapeutic ultrasound (HITU) treatment. Technical challenges, such as measurement variation and signal analysis, still exist for HITU exposimetry using ultrasound hydrophones. In this work, four hydrophones were compared for pressure measurement: a robust needle hydrophone, a small polyvinylidene fluoride capsule hydrophone and two fiberoptic hydrophones. The focal waveform and beam distribution of a single-element HITU transducer (1.05 MHz and 3.3 MHz) were evaluated. Complex deconvolution between the hydrophone voltage signal and frequency-dependent complex sensitivity was performed to obtain pressure waveforms. Compressional pressure (p + ), rarefactional pressure (p - ) and focal beam distribution were compared up to 10.6/-6.0 MPa (p + /p - ) (1.05 MHz) and 20.65/-7.20 MPa (3.3 MHz). The effects of spatial averaging, local non-linear distortion, complex deconvolution and hydrophone damage thresholds were investigated. This study showed a variation of no better than 10%-15% among hydrophones during HITU pressure characterization. Published by Elsevier Inc.

  2. Determination of cobalt in human liver by atomic absorption spectrometry with electrothermal atomization

    International Nuclear Information System (INIS)

    Caldas, E.D.; Gine-Rosias, M.F.; Dorea, J.G.

    1991-01-01

    A detailed study of the use of electrothermal atomic absorption spectrometry for the determination of cobalt in human liver is described. Comparisons of sample digestion using nitric acid or nitric acid plus perchloric acid, atomization procedures and the application of palladium and magnesium nitrate chemical modifiers were studied using NBS SRM 1577a Bovine Liver. The best results were achieved with sample decomposition in nitric acid, atomization from the tube wall and no chemical modifier. Cobalt was determined in 90 samples of livers from foetuses and deceased newborns using the standard addition method with an average recovery of 99.8%. (author). 30 refs.; 4 figs.; 2 tabs

  3. Averaging scheme for atomic resolution off-axis electron holograms.

    Science.gov (United States)

    Niermann, T; Lehmann, M

    2014-08-01

    All micrographs are limited by shot-noise, which is intrinsic to the detection process of electrons. For beam insensitive specimen this limitation can in principle easily be circumvented by prolonged exposure times. However, in the high-resolution regime several instrumental instabilities limit the applicable exposure time. Particularly in the case of off-axis holography the holograms are highly sensitive to the position and voltage of the electron-optical biprism. We present a novel reconstruction algorithm to average series of off-axis holograms while compensating for specimen drift, biprism drift, drift of biprism voltage, and drift of defocus, which all might cause problematic changes from exposure to exposure. We show an application of the algorithm utilizing also the possibilities of double biprism holography, which results in a high quality exit-wave reconstruction with 75 pm resolution at a very high signal-to-noise ratio. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic Radii

    Directory of Open Access Journals (Sweden)

    Raka Biswas

    2002-02-01

    Full Text Available Abstract. A set of theoretical atomic radii corresponding to the principal maximum in the radial distribution function, 4πr2R2 for the outermost orbital has been calculated for the ground state of 103 elements of the periodic table using Slater orbitals. The set of theoretical radii are found to reproduce the periodic law and the Lother Meyer’s atomic volume curve and reproduce the expected vertical and horizontal trend of variation in atomic size in the periodic table. The d-block and f-block contractions are distinct in the calculated sizes. The computed sizes qualitatively correlate with the absolute size dependent properties like ionization potentials and electronegativity of elements. The radii are used to calculate a number of size dependent periodic physical properties of isolated atoms viz., the diamagnetic part of the atomic susceptibility, atomic polarizability and the chemical hardness. The calculated global hardness and atomic polarizability of a number of atoms are found to be close to the available experimental values and the profiles of the physical properties computed in terms of the theoretical atomic radii exhibit their inherent periodicity. A simple method of computing the absolute size of atoms has been explored and a large body of known material has been brought together to reveal how many different properties correlate with atomic size.

  5. Edgeworth expansion for the pre-averaging estimator

    DEFF Research Database (Denmark)

    Podolskij, Mark; Veliyev, Bezirgen; Yoshida, Nakahiro

    In this paper, we study the Edgeworth expansion for a pre-averaging estimator of quadratic variation in the framework of continuous diffusion models observed with noise. More specifically, we obtain a second order expansion for the joint density of the estimators of quadratic variation and its...... asymptotic variance. Our approach is based on martingale embedding, Malliavin calculus and stable central limit theorems for continuous diffusions. Moreover, we derive the density expansion for the studentized statistic, which might be applied to construct asymptotic confidence regions....

  6. An averaged polarizable potential for multiscale modeling in phospholipid membranes

    DEFF Research Database (Denmark)

    Witzke, Sarah; List, Nanna Holmgaard; Olsen, Jógvan Magnus Haugaard

    2017-01-01

    A set of average atom-centered charges and polarizabilities has been developed for three types of phospholipids for use in polarizable embedding calculations. The lipids investigated are 1,2-dimyristoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, and 1-palmitoyl...

  7. Isolating and moving single atoms using silicon nanocrystals

    Science.gov (United States)

    Carroll, Malcolm S.

    2010-09-07

    A method is disclosed for isolating single atoms of an atomic species of interest by locating the atoms within silicon nanocrystals. This can be done by implanting, on the average, a single atom of the atomic species of interest into each nanocrystal, and then measuring an electrical charge distribution on the nanocrystals with scanning capacitance microscopy (SCM) or electrostatic force microscopy (EFM) to identify and select those nanocrystals having exactly one atom of the atomic species of interest therein. The nanocrystals with the single atom of the atomic species of interest therein can be sorted and moved using an atomic force microscope (AFM) tip. The method is useful for forming nanoscale electronic and optical devices including quantum computers and single-photon light sources.

  8. Remote Preparation of an Atomic Quantum Memory

    International Nuclear Information System (INIS)

    Rosenfeld, Wenjamin; Berner, Stefan; Volz, Juergen; Weber, Markus; Weinfurter, Harald

    2007-01-01

    Storage and distribution of quantum information are key elements of quantum information processing and future quantum communication networks. Here, using atom-photon entanglement as the main physical resource, we experimentally demonstrate the preparation of a distant atomic quantum memory. Applying a quantum teleportation protocol on a locally prepared state of a photonic qubit, we realized this so-called remote state preparation on a single, optically trapped 87 Rb atom. We evaluated the performance of this scheme by the full tomography of the prepared atomic state, reaching an average fidelity of 82%

  9. 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.

  10. Laser-excited atomic fluorescence spectrometry in a pressure-controlled electrothermal atomizer.

    Science.gov (United States)

    Lonardo, R F; Yuzefovsky, A I; Irwin, R L; Michel, R G

    1996-02-01

    A theoretical model was developed to describe the loss of analyte atoms in graphite furnaces during atomization. The model was based on two functions, one that described the supply of analyte by vaporization, and another that described the removal of the analyte by diffusion. Variation in working pressure was shown to affect the competition between these two processes. Optimal atomization efficiency was predicted to occur at a pressure where the supply of the analyte was maximized, and gas phase interactions between the analyte and matrix were minimized. Experiments to test the model included the direct determination of phosphorus and tellurium in nickel alloys and of cobalt in glass. In all cases, reduction in working pressure from atmospheric pressure to 7 Pa decreased sensitivity by 2 orders of magnitude, but improved temporal peak shape. For the atomization of tellurium directly from a solid nickel alloy, and the atomization of cobalt from an aqueous solution, no change in sensitivity was observed as the working pressure was reduced from atmospheric pressure to approximately 70 kPa. If a reduction in working pressure affected only the diffusion of the analyte, poorer sensitivity should have been obtained. Only a commensurate increase in analyte vaporization could account for maintained sensitivity at lower working pressures. Overall, analyte vaporization was not dramatically improved at reduced working pressures, and maximum atomization efficiency was found to occur near atmospheric pressure.

  11. 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.

  12. Aperture averaging in strong oceanic turbulence

    Science.gov (United States)

    Gökçe, Muhsin Caner; Baykal, Yahya

    2018-04-01

    Receiver aperture averaging technique is employed in underwater wireless optical communication (UWOC) systems to mitigate the effects of oceanic turbulence, thus to improve the system performance. The irradiance flux variance is a measure of the intensity fluctuations on a lens of the receiver aperture. Using the modified Rytov theory which uses the small-scale and large-scale spatial filters, and our previously presented expression that shows the atmospheric structure constant in terms of oceanic turbulence parameters, we evaluate the irradiance flux variance and the aperture averaging factor of a spherical wave in strong oceanic turbulence. Irradiance flux variance variations are examined versus the oceanic turbulence parameters and the receiver aperture diameter are examined in strong oceanic turbulence. Also, the effect of the receiver aperture diameter on the aperture averaging factor is presented in strong oceanic turbulence.

  13. Quantum-mechanical transport equation for atomic systems.

    Science.gov (United States)

    Berman, P. R.

    1972-01-01

    A quantum-mechanical transport equation (QMTE) is derived which should be applicable to a wide range of problems involving the interaction of radiation with atoms or molecules which are also subject to collisions with perturber atoms. The equation follows the time evolution of the macroscopic atomic density matrix elements of atoms located at classical position R and moving with classical velocity v. It is quantum mechanical in the sense that all collision kernels or rates which appear have been obtained from a quantum-mechanical theory and, as such, properly take into account the energy-level variations and velocity changes of the active (emitting or absorbing) atom produced in collisions with perturber atoms. The present formulation is better suited to problems involving high-intensity external fields, such as those encountered in laser physics.

  14. Variational minimization of atomic and molecular ground-state energies via the two-particle reduced density matrix

    International Nuclear Information System (INIS)

    Mazziotti, David A.

    2002-01-01

    Atomic and molecular ground-state energies are variationally determined by constraining the two-particle reduced density matrix (2-RDM) to satisfy positivity conditions. Because each positivity condition corresponds to correcting the ground-state energies for a class of Hamiltonians with two-particle interactions, these conditions collectively provide a new approach to many-body theory that, unlike perturbation theory, can capture significantly correlated phenomena including the multireference effects of potential-energy surfaces. The D, Q, and G conditions for the 2-RDM are extended through generalized lifting operators inspired from the formal solution of N-representability. These lifted conditions agree with the hierarchy of positivity conditions presented by Mazziotti and Erdahl [Phys. Rev. A 63, 042113 (2001)]. The connection between positivity and the formal solution explains how constraining higher RDMs to be positive semidefinite improves the N representability of the 2-RDM and suggests using pieces of higher positivity conditions that computationally scale like the D condition. With the D, Q, and G conditions as well as pieces of higher positivity the electronic energies for Be, LiH, H 2 O, and BH are computed through a primal-dual interior-point algorithm for positive semidefinite programming. The variational method produces potential-energy surfaces that are highly accurate even far from the equilibrium geometry where single-reference perturbation-based methods often fail to produce realistic energies

  15. Determining the influence of Korean population variation on whole-body average SAR.

    Science.gov (United States)

    Lee, Ae-Kyoung; Choi, Hyung-Do

    2012-05-07

    Compliance of the ICNIRP reference and IEEE action levels with the basic restrictions on whole-body average (WBA) SAR was investigated based on age, physique, and posture under isolated and grounded conditions. First, Korean male models 1, 3, 5, 7, and 20 years of age with body sizes in the 50th percentile were developed and used as the test subjects: 1y(50th), 3y(50th), 5y(50th), 7y(50th), and 20y(50th). The effects of age-dependent dielectric properties due to the water content of the tissue on WBA SAR were analysed, and showed that the changes in WBA SAR are marginal. At the ages of 1, 5, and 20, thin models 1y(10th), 5y(10th), and 20y(10th) with body sizes in the 10th percentile for the horizontal plane were added in order to determine the influence of physical variations of the population. We considered standing postures with arms up and arms down. The WBA SAR for each human model was calculated when exposed to a vertically polarized plane wave in the frequency range of 10 MHz-3 GHz using the finite-difference time-domain method. The evaluated WBA SAR-based safety factor of each model is discussed for exposure to the ICNIRP reference and IEEE action levels. Finally, the lowest external electric field strength required to produce the basic restrictions on the WBA SAR, 0.08 W kg(-1), was obtained. The results showed that the ICNIRP public reference level is not conservative in the frequency range of 20-200 MHz for an arms-up posture, in the range of 40-200 MHz for an arms-down posture, and above 1 GHz for both postures. The IEEE action level is different from the ICNIRP reference level below 30 MHz, where most cases showed a safety factor of less than 50, which is the minimum value compliant with the basic restrictions for exposure to the general public.

  16. Topological quantization of ensemble averages

    International Nuclear Information System (INIS)

    Prodan, Emil

    2009-01-01

    We define the current of a quantum observable and, under well-defined conditions, we connect its ensemble average to the index of a Fredholm operator. The present work builds on a formalism developed by Kellendonk and Schulz-Baldes (2004 J. Funct. Anal. 209 388) to study the quantization of edge currents for continuous magnetic Schroedinger operators. The generalization given here may be a useful tool to scientists looking for novel manifestations of the topological quantization. As a new application, we show that the differential conductance of atomic wires is given by the index of a certain operator. We also comment on how the formalism can be used to probe the existence of edge states

  17. Beta-energy averaging and beta spectra

    International Nuclear Information System (INIS)

    Stamatelatos, M.G.; England, T.R.

    1976-07-01

    A simple yet highly accurate method for approximately calculating spectrum-averaged beta energies and beta spectra for radioactive nuclei is presented. This method should prove useful for users who wish to obtain accurate answers without complicated calculations of Fermi functions, complex gamma functions, and time-consuming numerical integrations as required by the more exact theoretical expressions. Therefore, this method should be a good time-saving alternative for investigators who need to make calculations involving large numbers of nuclei (e.g., fission products) as well as for occasional users interested in restricted number of nuclides. The average beta-energy values calculated by this method differ from those calculated by ''exact'' methods by no more than 1 percent for nuclides with atomic numbers in the 20 to 100 range and which emit betas of energies up to approximately 8 MeV. These include all fission products and the actinides. The beta-energy spectra calculated by the present method are also of the same quality

  18. Anomalous atomic volume of alpha-Pu

    DEFF Research Database (Denmark)

    Kollar, J.; Vitos, Levente; Skriver, Hans Lomholt

    1997-01-01

    We have performed full charge-density calculations for the equilibrium atomic volumes of the alpha-phase light actinide metals using the local density approximation (LDA) and the generalized gradient approximation (GGA). The average deviation between the experimental and the GGA atomic radii is 1.......3%. The comparison between the LDA and GGA results show that the anomalously large atomic volume of alpha-Pu relative to alpha-Np can be ascribed to exchange-correlation effects connected with the presence of low coordinated sites in the structure where the f electrons are close to the onset of localization...

  19. SEASONAL AVERAGE FLOW IN RÂUL NEGRU HYDROGRAPHIC BASIN

    Directory of Open Access Journals (Sweden)

    VIGH MELINDA

    2015-03-01

    Full Text Available The Râul Negru hydrographic basin is a well individualised physical-geographical unit inside the Braşov Depression. The flow is controlled by six hydrometric stations placed on the main river and on two important tributaries. The data base for seasonal flow analysis contains the discharges from 1950-2012. The results of data analysis show that there significant space-time differences between multiannual seasonal averages. Some interesting conclusions can be obtained by comparing abundant and scarce periods. Flow analysis was made using seasonal charts Q = f(T. The similarities come from the basin’s relative homogeneity, and the differences from flow’s evolution and trend. Flow variation is analysed using variation coefficient. In some cases appear significant Cv values differences. Also, Cv values trends are analysed according to basins’ average altitude.

  20. GRASP92: a package for large-scale relativistic atomic structure calculations

    Science.gov (United States)

    Parpia, F. A.; Froese Fischer, C.; Grant, I. P.

    2006-12-01

    Program summaryTitle of program: GRASP92 Catalogue identifier: ADCU_v1_1 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADCU_v1_1 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: no Programming language used: Fortran Computer: IBM POWERstation 320H Operating system: IBM AIX 3.2.5+ RAM: 64M words No. of lines in distributed program, including test data, etc.: 65 224 No of bytes in distributed program, including test data, etc.: 409 198 Distribution format: tar.gz Catalogue identifier of previous version: ADCU_v1_0 Journal reference of previous version: Comput. Phys. Comm. 94 (1996) 249 Does the new version supersede the previous version?: Yes Nature of problem: Prediction of atomic spectra—atomic energy levels, oscillator strengths, and radiative decay rates—using a 'fully relativistic' approach. Solution method: Atomic orbitals are assumed to be four-component spinor eigenstates of the angular momentum operator, j=l+s, and the parity operator Π=βπ. Configuration state functions (CSFs) are linear combinations of Slater determinants of atomic orbitals, and are simultaneous eigenfunctions of the atomic electronic angular momentum operator, J, and the atomic parity operator, P. Lists of CSFs are either explicitly prescribed by the user or generated from a set of reference CSFs, a set of subshells, and rules for deriving other CSFs from these. Approximate atomic state functions (ASFs) are linear combinations of CSFs. A variational functional may be constructed by combining expressions for the energies of one or more ASFs. Average level (AL) functionals are weighted sums of energies of all possible ASFs that may be constructed from a set of CSFs; the number of ASFs is then the same as the number, n, of CSFs. Optimal level (OL) functionals are weighted sums of energies of some subset of ASFs; the GRASP92 package is optimized for this latter class of functionals. The composition of an ASF in terms

  1. Nuclear moments and isotopic variation of the mean square charge radii of strontium nuclei by atomic beam laser spectroscopy

    International Nuclear Information System (INIS)

    Chongkum, S.

    1987-10-01

    Hyperfine structure and optical isotope shift measurements have been performed on a series of stable and radioactive strontium isotopes (A = 80 to 90), including two isomers 85m and 87m. The spectroscopy applied continuous wave dye laser induced fluorescence of free atoms at λ=293.2 nm in a well collimated atomic beam. The 293.2 nm ultraviolet light was generated by frequency doubling the output of a dye laser in either a temperature tuned Ammonium Dihydrogen Arsenate (ADA) crystal or an angle tuned Lithium Iodate crystal. A special radio frequency (rf) technique was used to tune the dye laser frequency with long term stability. Radioactive Sr isotopes were produced either by neutron capture of stable strontium or by (α,xn) reactions from krypton gas. The samples were purified by an electromagnetic mass separator and their sizes were of order 100 pg, which corresponds to 10 11 atoms. The observed results of the hyperfine structure components are evaluated in terms of nuclear magnetic dipole moments and electric quadrupole moments. Changes in mean square charge radii of strontium nuclei which were extracted from the isotope shift measurements, exhibit a distinct shell effect at the neutron magic number N=50. The experimental data are analysed and compared with some theoretical nuclear model predictions. The strong increase of the nuclear charge radii with decreasing neutron number of isotopes below N=50 is in agreement with the variation of the mean square deformation extracted from measured B(E2) values. (orig.) [de

  2. Derivative flame atomic absorption spectrometry and its application in trace analysis

    International Nuclear Information System (INIS)

    Sun, H. W.; Li, L. Q.

    2005-01-01

    Flame atomic absorption spectrometry is an accepted and widely used method for the determination of trace elements in a great variety of samples. But its sensitivity doesn't meet the demands of trace and ultra-trace analysis for some samples. The derivative signal processing technique, with a very high capability for enhancing sensitivity, was developed for flame atomic absorption spectrometry. The signal models of conventional flame atomic absorption spectrometry are described. The equations of derivative signals are established for flame atomic absorption spectrometry, flow injection atomic absorption spectrometry (FI-FAAS) and atom trapping flame atomic absorption spectrometry (AT-FAAS). The principle and performance of the derivative atomic absorption spectrometry are evaluated. The derivative technique based on determination of variation rate of signal intensity with time (dl/dt) is different from the derivative spectrophotometry based on determination of variation rate of signal intensity with wavelength (dl/dhλ). Derivative flame atomic absorption spectrometry has higher sensitivity, lower detection limits and better accuracy. It has been applied to the direct determination of trace elements without preconcentration. If the derivative technique was combined with several preconcentration techniques, the sensitivity would be enhanced further for ultra-trace analysis with good linearity. The applications of derivative flame atomic absorption spectroscopy are reviewed for trace element analysis in biological, pharmaceutical, environmental and food samples

  3. Atomic weights of the elements 2011 (IUPAC Technical Report)

    Science.gov (United States)

    Wieser, Michael E.; Holden, Norman; Coplen, Tyler B.; Böhlke, John K.; Berglund, Michael; Brand, Willi A.; De Bièvre, Paul; Gröning, Manfred; Loss, Robert D.; Meija, Juris; Hirata, Takafumi; Prohaska, Thomas; Schoenberg, Ronny; O'Connor, Glenda; Walczyk, Thomas; Yoneda, Shige; Zhu, Xiang-Kun

    2013-01-01

    The biennial review of atomic-weight determinations and other cognate data has resulted in changes for the standard atomic weights of five elements. The atomic weight of bromine has changed from 79.904(1) to the interval [79.901, 79.907], germanium from 72.63(1) to 72.630(8), indium from 114.818(3) to 114.818(1), magnesium from 24.3050(6) to the interval [24.304, 24.307], and mercury from 200.59(2) to 200.592(3). For bromine and magnesium, assignment of intervals for the new standard atomic weights reflects the common occurrence of variations in the atomic weights of those elements in normal terrestrial materials.

  4. Improving consensus structure by eliminating averaging artifacts

    Directory of Open Access Journals (Sweden)

    KC Dukka B

    2009-03-01

    Full Text Available Abstract Background Common structural biology methods (i.e., NMR and molecular dynamics often produce ensembles of molecular structures. Consequently, averaging of 3D coordinates of molecular structures (proteins and RNA is a frequent approach to obtain a consensus structure that is representative of the ensemble. However, when the structures are averaged, artifacts can result in unrealistic local geometries, including unphysical bond lengths and angles. Results Herein, we describe a method to derive representative structures while limiting the number of artifacts. Our approach is based on a Monte Carlo simulation technique that drives a starting structure (an extended or a 'close-by' structure towards the 'averaged structure' using a harmonic pseudo energy function. To assess the performance of the algorithm, we applied our approach to Cα models of 1364 proteins generated by the TASSER structure prediction algorithm. The average RMSD of the refined model from the native structure for the set becomes worse by a mere 0.08 Å compared to the average RMSD of the averaged structures from the native structure (3.28 Å for refined structures and 3.36 A for the averaged structures. However, the percentage of atoms involved in clashes is greatly reduced (from 63% to 1%; in fact, the majority of the refined proteins had zero clashes. Moreover, a small number (38 of refined structures resulted in lower RMSD to the native protein versus the averaged structure. Finally, compared to PULCHRA 1, our approach produces representative structure of similar RMSD quality, but with much fewer clashes. Conclusion The benchmarking results demonstrate that our approach for removing averaging artifacts can be very beneficial for the structural biology community. Furthermore, the same approach can be applied to almost any problem where averaging of 3D coordinates is performed. Namely, structure averaging is also commonly performed in RNA secondary prediction 2, which

  5. Empirical atom model of Vegard's law

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Lei, E-mail: zhleile2002@163.com [Materials Department, College of Electromechanical Engineering, China University of Petroleum, Qingdao 266555 (China); School of Electromechanical Automobile Engineering, Yantai University, Yantai 264005 (China); Li, Shichun [Materials Department, College of Electromechanical Engineering, China University of Petroleum, Qingdao 266555 (China)

    2014-02-01

    Vegard's law seldom holds true for most binary continuous solid solutions. When two components form a solid solution, the atom radii of component elements will change to satisfy the continuity requirement of electron density at the interface between component atom A and atom B so that the atom with larger electron density will expand and the atom with the smaller one will contract. If the expansion and contraction of the atomic radii of A and B respectively are equal in magnitude, Vegard's law will hold true. However, the expansion and contraction of two component atoms are not equal in most situations. The magnitude of the variation will depend on the cohesive energy of corresponding element crystals. An empirical atom model of Vegard's law has been proposed to account for signs of deviations according to the electron density at Wigner–Seitz cell from Thomas–Fermi–Dirac–Cheng model.

  6. Determination of the Average Native Background and the Light-Induced EPR Signals and their Variation in the Teeth Enamel Based on Large-Scale Survey of the Population

    International Nuclear Information System (INIS)

    Ivannikov, Alexander I.; Khailov, Artem M.; Orlenko, Sergey P.; Skvortsov, Valeri G.; Stepanenko, Valeri F.; Zhumadilov, Kassym Sh.; Williams, Benjamin B.; Flood, Ann B.; Swartz, Harold M.

    2016-01-01

    The aim of the study is to determine the average intensity and variation of the native background signal amplitude (NSA) and of the solar light-induced signal amplitude (LSA) in electron paramagnetic resonance (EPR) spectra of tooth enamel for different kinds of teeth and different groups of people. These values are necessary for determination of the intensity of the radiation-induced signal amplitude (RSA) by subtraction of the expected NSA and LSA from the total signal amplitude measured in L-band for in vivo EPR dosimetry. Variation of these signals should be taken into account when estimating the uncertainty of the estimated RSA. A new analysis of several hundred EPR spectra that were measured earlier at X-band in a large-scale examination of the population of the Central Russia was performed. Based on this analysis, the average values and the variation (standard deviation, SD) of the amplitude of the NSA for the teeth from different positions, as well as LSA in outer enamel of the front teeth for different population groups, were determined. To convert data acquired at X-band to values corresponding to the conditions of measurement at L-band, the experimental dependencies of the intensities of the RSA, LSA and NSA on the m.w. power, measured at both X and L-band, were analysed. For the two central upper incisors, which are mainly used in in vivo dosimetry, the mean LSA annual rate induced only in the outer side enamel and its variation were obtained as 10 ± 2 (SD = 8) mGy y"-"1, the same for X- and L-bands (results are presented as the mean ± error of mean). Mean NSA in enamel and its variation for the upper incisors was calculated at 2.0 ± 0.2 (SD = 0.5) Gy, relative to the calibrated RSA dose-response to gamma radiation measured under non-power saturation conditions at X-band. Assuming the same value for L-band under non-power saturating conditions, then for in vivo measurements at L-band at 25 mW (power saturation conditions), a mean NSA and its

  7. 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.

  8. Quantum Repeaters and Atomic Ensembles

    DEFF Research Database (Denmark)

    Borregaard, Johannes

    a previous protocol, thereby enabling fast local processing, which greatly enhances the distribution rate. We then move on to describe our work on improving the stability of atomic clocks using entanglement. Entanglement can potentially push the stability of atomic clocks to the so-called Heisenberg limit...... and allows for near-Heisenberg limited stability of atomic clocks. Furthermore, we describe how the operation of a clock can be altered to gain an exponential improvement of the stability even without entanglement. In the next part of the thesis, we describe our work on a novel type of heralded quantum gates...... temperature quantum memories and single photon sources. We have introduced a novel concept of motional averaging, which can be used in room-temperature systems, where fluctuations due to thermal motion is an issue. In particular, we have considered a system based on microcells filled with Cs-atoms, which can...

  9. Characterizing cycle-to-cycle variations of the shedding cycle in the turbulent wake of a normal flat plate using generalized phase averages

    Science.gov (United States)

    Martinuzzi, Robert

    2016-11-01

    Quasi-periodic vortex shedding in the turbulent wake of a thin-flat plate placed normal to a uniform stream at Reynolds number of 6700 is investigated based on Particle Image Velocimetry experiments. The wake structure and vortex formation are characterized using a generalized phase average (GPA), a refinement of the triple decomposition of Reynolds and Hussain (1970) incorporating elements of mean-field theory (Stuart, 1958). The resulting analysis highlights the importance of cycle-to-cycle variations in characterizing vortex formation, wake topology and the residual turbulent Reynolds Stresses. For example, it is shown that during high-amplitude cycles vorticity is strongly concentrated within the well-organized shed vortices, whereas during low-amplitude cycles the shed vortices are highly distorted resulting in significant modulation of the shedding frequency. It is found that high-amplitude cycles contribute more to the coherent Reynolds stress field while the low-amplitude cycles contribute to the residual stress field. It is further shown that traditional phase-averaging techniques lead to an over-estimation of the residual stress field. Natural Sciences and Engineering Research Council of Canada.

  10. Noninterferometric phase imaging of a neutral atomic beam

    International Nuclear Information System (INIS)

    Fox, P.J.; Mackin, T.R.; Turner, L.D.; Colton, I.; Nugent, K.A.; Scholten, R.E.

    2002-01-01

    We demonstrate quantitative phase imaging of a neutral atomic beam by using a noninterferometric technique. A collimated thermal atomic beam is phase shifted by an off-resonant traveling laser beam with both a Gaussian and a TEM 01 profile and with both red and blue detuning of as much as 50 GHz. Phase variations of more than 1000 rad were recovered from velocity-selective measurements of the propagation of the atomic beam and were found to be in quantitative agreement with theoretical predictions based on independently measured phase object intensity profiles and detunings

  11. Optical perturbation of atoms in weak localization

    Science.gov (United States)

    Yedjour, A.

    2018-01-01

    We determine the microscopic transport parameters that are necessary to describe the diffusion process of the atomic gas in optical speckle. We use the self-consistent theory to calculate the self-energy of the atomic gas. We compute the spectral function numerically by an average over disorder realizations in terms of the Greens function. We focus mainly on the behaviour of the energy distribution of the atoms to estimate a correction to the mobility edge. Our results show that the energy distribution of the atoms locates the mobility edge position under the disorder amplitude. This behaviour changes for each disorder parameter. We conclude that the disorder amplitude potential induced modification of the energy distribution of the atoms that plays a major role for the prediction of the mobility edge.

  12. Ionization due to the interaction between two Rydberg atoms

    International Nuclear Information System (INIS)

    Robicheaux, F

    2005-01-01

    Using a classical trajectory Monte Carlo method, we have computed the ionization resulting from the interaction between two cold Rydberg atoms. We focus on the products resulting from close interaction between two highly excited atoms. We give information on the distribution of ejected electron energies, the distribution of internal atom energies and the velocity distribution of the atoms and ions after the ionization. If the potential for the atom is not purely Coulombic, the average interaction between two atoms can change from attractive to repulsive giving a Van de Graaff-like mechanism for accelerating atoms. In a small fraction of ionization cases, we find that the ionization leads to a positive molecular ion where all of the distances are larger than 1000 Bohr radii

  13. Measurement of average radon gas concentration at workplaces

    International Nuclear Information System (INIS)

    Kavasi, N.; Somlai, J.; Kovacs, T.; Gorjanacz, Z.; Nemeth, Cs.; Szabo, T.; Varhegyi, A.; Hakl, J.

    2003-01-01

    In this paper results of measurement of average radon gas concentration at workplaces (the schools and kindergartens and the ventilated workplaces) are presented. t can be stated that the one month long measurements means very high variation (as it is obvious in the cases of the hospital cave and the uranium tailing pond). Consequently, in workplaces where the expectable changes of radon concentration considerable with the seasons should be measure for 12 months long. If it is not possible, the chosen six months period should contain summer and winter months as well. The average radon concentration during working hours can be differ considerable from the average of the whole time in the cases of frequent opening the doors and windows or using artificial ventilation. (authors)

  14. Analysis of average radiation widths of neutron resonances

    International Nuclear Information System (INIS)

    Malezki, H.; Popov, A.B.; Trzeciak, K.

    1982-01-01

    On the basis of the available data on parameters of neutron resonances average values of radiation widths (GITAsub(γ)) are calculated for a wide range of nuclei in the 50 upto 250 atomic weight range. Experimental values are compared with different variants of theoretical estimates of GITAsub(γ) which are reduced to the GITAsub(γ) dependence upon atomic weight A, excitation energy U and level density parameter a as GITAsub(γ)=CAsup(α)Usup(β)asup(γ). Besides, empirical values C, α, β, γ are selected satisfying the experimental data best of all. It is determined that the use of a=kA hypothesis leads to a sufficiently better agreement between all theoretical estimates of GITAsub(γ) and experimental values. It turned out that the estimations by Weisskopf, Bondarenko-Urin or with empirically chosen parameters give an approximately similar correspondence of calculated values GITAsub(γ)sup(p) to experimental data [ru

  15. Noncontact Atomic Force Microscopy: An Emerging Tool for Fundamental Catalysis Research.

    Science.gov (United States)

    Altman, Eric I; Baykara, Mehmet Z; Schwarz, Udo D

    2015-09-15

    Although atomic force microscopy (AFM) was rapidly adopted as a routine surface imaging apparatus after its introduction in 1986, it has not been widely used in catalysis research. The reason is that common AFM operating modes do not provide the atomic resolution required to follow catalytic processes; rather the more complex noncontact (NC) mode is needed. Thus, scanning tunneling microscopy has been the principal tool for atomic scale catalysis research. In this Account, recent developments in NC-AFM will be presented that offer significant advantages for gaining a complete atomic level view of catalysis. The main advantage of NC-AFM is that the image contrast is due to the very short-range chemical forces that are of interest in catalysis. This motivated our development of 3D-AFM, a method that yields quantitative atomic resolution images of the potential energy surfaces that govern how molecules approach, stick, diffuse, and rebound from surfaces. A variation of 3D-AFM allows the determination of forces required to push atoms and molecules on surfaces, from which diffusion barriers and variations in adsorption strength may be obtained. Pushing molecules towards each other provides access to intermolecular interaction between reaction partners. Following reaction, NC-AFM with CO-terminated tips yields textbook images of intramolecular structure that can be used to identify reaction intermediates and products. Because NC-AFM and STM contrast mechanisms are distinct, combining the two methods can produce unique insight. It is demonstrated for surface-oxidized Cu(100) that simultaneous 3D-AFM/STM yields resolution of both the Cu and O atoms. Moreover, atomic defects in the Cu sublattice lead to variations in the reactivity of the neighboring O atoms. It is shown that NC-AFM also allows a straightforward imaging of work function variations which has been used to identify defect charge states on catalytic surfaces and to map charge transfer within an individual

  16. The consequences of time averaging for measuring temporal species turnover in the fossil record

    Science.gov (United States)

    Tomašových, Adam; Kidwell, Susan

    2010-05-01

    Modeling time averaging effects with simple simulations allows us to evaluate the magnitude of change in temporal species turnover that is expected to occur in long (paleoecological) time series with fossil assemblages. Distinguishing different modes of metacommunity dynamics (such as neutral, density-dependent, or trade-off dynamics) with time-averaged fossil assemblages requires scaling-up time-averaging effects because the decrease in temporal resolution and the decrease in temporal inter-sample separation (i.e., the two main effects of time averaging) substantially increase community stability relative to assemblages without or with weak time averaging. Large changes in temporal scale that cover centuries to millennia can lead to unprecedented effects on temporal rate of change in species composition. Temporal variation in species composition monotonically decreases with increasing duration of time-averaging in simulated fossil assemblages. Time averaging is also associated with the reduction of species dominance owing to the temporal switching in the identity of dominant species. High degrees of time averaging can cause that community parameters of local fossil assemblages converge to parameters of metacommunity rather that to parameters of individual local non-averaged communities. We find that the low variation in species composition observed among mollusk and ostracod subfossil assemblages can be explained by time averaging alone, and low temporal resolution and reduced temporal separation among assemblages in time series can thus explain a substantial part of the reduced variation in species composition relative to unscaled predictions of neutral model (i.e., species do not differ in birth, death, and immigration rates on per capita basis). The structure of time-averaged assemblages can thus provide important insights into processes that act over larger temporal scales, such as evolution of niches and dispersal, range-limit dynamics, taxon cycles, and

  17. Hydrogen atoms in the presence of a homogeneous magnetic field

    International Nuclear Information System (INIS)

    Brandi, H.S.; Koiller, B.

    1978-01-01

    A variational scheme to obtain the spectrum of the hydrogen atom in the presence of an external homogeneous magnetic field is proposed. Two different sets of basis function to diagonalize the Hamiltonian describing the system are used, namely the eigenfunctions of the free hydrogen atom and of the three-dimensional harmonic oscillator; both having their radial coordinates properly scaled by a variational parammeter. Because of its characteristics, the present approach is suitable to describe the ground state as well as an infinite number of excited states also for a wide range of magnetic field strengths [pt

  18. Electronic structure of fractionally nuclear charged atoms

    International Nuclear Information System (INIS)

    Pavao, Antonio C.; Bastos, Cristiano C.; Ferreira, Joacy V.

    2008-01-01

    Different properties of quark chemistry are studied by performing accurate ab initio Hartree- Fock calculations on fractionally nuclear charged atoms. Ground and first excited states of sodium atoms with quarks attached to the nucleus are obtained using CI calculations. It is suggested that the sodium 2 P -> 2 S electronic transition can be used as a guide in searching for unconfined quarks. Also, the variation of the binding electronic energy with nuclear charge in the isoelectronic series of fractionally nuclear charged atoms A ±2/3 and A ±1/3 (A = H, Li, Na, P and Ca) is analyzed. The present calculations suggest that unconfined colored particles have large appetite for heavy nuclei and that quark-antiquark pairs could be stabilized in presence of the atomic matter. (author)

  19. Manipulating Si(100) at 5 K using qPlus frequency modulated atomic force microscopy: Role of defects and dynamics in the mechanical switching of atoms

    Science.gov (United States)

    Sweetman, A.; Jarvis, S.; Danza, R.; Bamidele, J.; Kantorovich, L.; Moriarty, P.

    2011-08-01

    We use small-amplitude qPlus frequency modulated atomic force microscopy (FM-AFM), at 5 K, to investigate the atomic-scale mechanical stability of the Si(100) surface. By operating at zero applied bias the effect of tunneling electrons is eliminated, demonstrating that surface manipulation can be performed by solely mechanical means. Striking differences in surface response are observed between different regions of the surface, most likely due to variations in strain associated with the presence of surface defects. We investigate the variation in local energy surface by ab initio simulation, and comment on the dynamics observed during force spectroscopy.

  20. Variation in the annual average radon concentration measured in homes in Mesa County, Colorado

    International Nuclear Information System (INIS)

    Rood, A.S.; George, J.L.; Langner, G.H. Jr.

    1990-04-01

    The purpose of this study is to examine the variability in the annual average indoor radon concentration. The TMC has been collecting annual average radon data for the past 5 years in 33 residential structures in Mesa County, Colorado. This report is an interim report that presents the data collected up to the present. Currently, the plans are to continue this study in the future. 62 refs., 3 figs., 12 tabs

  1. Predicting Atomic Decay Rates Using an Informational-Entropic Approach

    Science.gov (United States)

    Gleiser, Marcelo; Jiang, Nan

    2018-06-01

    We show that a newly proposed Shannon-like entropic measure of shape complexity applicable to spatially-localized or periodic mathematical functions known as configurational entropy (CE) can be used as a predictor of spontaneous decay rates for one-electron atoms. The CE is constructed from the Fourier transform of the atomic probability density. For the hydrogen atom with degenerate states labeled with the principal quantum number n, we obtain a scaling law relating the n-averaged decay rates to the respective CE. The scaling law allows us to predict the n-averaged decay rate without relying on the traditional computation of dipole matrix elements. We tested the predictive power of our approach up to n = 20, obtaining an accuracy better than 3.7% within our numerical precision, as compared to spontaneous decay tables listed in the literature.

  2. Predicting Atomic Decay Rates Using an Informational-Entropic Approach

    Science.gov (United States)

    Gleiser, Marcelo; Jiang, Nan

    2018-02-01

    We show that a newly proposed Shannon-like entropic measure of shape complexity applicable to spatially-localized or periodic mathematical functions known as configurational entropy (CE) can be used as a predictor of spontaneous decay rates for one-electron atoms. The CE is constructed from the Fourier transform of the atomic probability density. For the hydrogen atom with degenerate states labeled with the principal quantum number n, we obtain a scaling law relating the n-averaged decay rates to the respective CE. The scaling law allows us to predict the n-averaged decay rate without relying on the traditional computation of dipole matrix elements. We tested the predictive power of our approach up to n = 20, obtaining an accuracy better than 3.7% within our numerical precision, as compared to spontaneous decay tables listed in the literature.

  3. Formation and properties of metal-oxygen atomic chains

    DEFF Research Database (Denmark)

    Thijssen, W.H.A.; Strange, Mikkel; de Brugh, J.M.J.A.

    2008-01-01

    of longer atomic chains. The mechanical and electrical properties of these diatomic chains have been investigated by determining local vibration modes of the chain and by measuring the dependence of the average chain-conductance on the length of the chain. Additionally, we have performed calculations......Suspended chains consisting of single noble metal and oxygen atoms have been formed. We provide evidence that oxygen can react with and be incorporated into metallic one-dimensional atomic chains. Oxygen incorporation reinforces the linear bonds in the chain, which facilitates the creation...

  4. Asymptotics for Two-dimensional Atoms

    DEFF Research Database (Denmark)

    Nam, Phan Thanh; Portmann, Fabian; Solovej, Jan Philip

    2012-01-01

    We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E^{\\TF}(\\lambd......We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E......^{\\TF}(\\lambda)$ is given by a Thomas-Fermi type variational problem and $c^{\\rm H}\\approx -2.2339$ is an explicit constant. We also show that the radius of a two-dimensional neutral atom is unbounded when $Z\\to \\infty$, which is contrary to the expected behavior of three-dimensional atoms....

  5. Determination of the Average Native Background and the Light-Induced EPR Signals and their Variation in the Teeth Enamel Based on Large-Scale Survey of the Population.

    Science.gov (United States)

    Ivannikov, Alexander I; Khailov, Artem M; Orlenko, Sergey P; Skvortsov, Valeri G; Stepanenko, Valeri F; Zhumadilov, Kassym Sh; Williams, Benjamin B; Flood, Ann B; Swartz, Harold M

    2016-12-01

    The aim of the study is to determine the average intensity and variation of the native background signal amplitude (NSA) and of the solar light-induced signal amplitude (LSA) in electron paramagnetic resonance (EPR) spectra of tooth enamel for different kinds of teeth and different groups of people. These values are necessary for determination of the intensity of the radiation-induced signal amplitude (RSA) by subtraction of the expected NSA and LSA from the total signal amplitude measured in L-band for in vivo EPR dosimetry. Variation of these signals should be taken into account when estimating the uncertainty of the estimated RSA. A new analysis of several hundred EPR spectra that were measured earlier at X-band in a large-scale examination of the population of the Central Russia was performed. Based on this analysis, the average values and the variation (standard deviation, SD) of the amplitude of the NSA for the teeth from different positions, as well as LSA in outer enamel of the front teeth for different population groups, were determined. To convert data acquired at X-band to values corresponding to the conditions of measurement at L-band, the experimental dependencies of the intensities of the RSA, LSA and NSA on the m.w. power, measured at both X and L-band, were analysed. For the two central upper incisors, which are mainly used in in vivo dosimetry, the mean LSA annual rate induced only in the outer side enamel and its variation were obtained as 10 ± 2 (SD = 8) mGy y -1 , the same for X- and L-bands (results are presented as the mean ± error of mean). Mean NSA in enamel and its variation for the upper incisors was calculated at 2.0 ± 0.2 (SD = 0.5) Gy, relative to the calibrated RSA dose-response to gamma radiation measured under non-power saturation conditions at X-band. Assuming the same value for L-band under non-power saturating conditions, then for in vivo measurements at L-band at 25 mW (power saturation conditions), a mean NSA and its

  6. Inference on carbon atom arrangement in the turbostatic graphene layers in Tikak coal (India) by X-ray pair distribution function analysis

    Energy Technology Data Exchange (ETDEWEB)

    Saikia, Binoy K. [Indian Oil Corporation Ltd., West Bengal (India)

    2010-07-01

    This paper communicates the distribution of carbon atoms in a single poly-cyclic aromatic (PCA) layer (graphene) in Tikak coal from Assam, India. The pair distribution function (PDF) analysis performed indicates no evidence of any graphite like structure in this coal. The aromatic fraction is observed to be 74%; with the aliphatic fraction correspondingly estimated to be 26% in this coal. The average carbon atom has 2.5 nearest carbon atom neighbours at an average bond distance of 1.50{angstrom}. The average stacking height of the parallel aromatic layers (Lc) and the average diameter of the aromatic layers (La) are estimated to be 9.86 {angstrom} and 4.80 {angstrom} respectively. For this coal, the average number of stacking layers and the average number of atoms per layer are estimated to be four and eight respectively. In addition, the gamma band is observed at a d-value of 4.34{angstrom}. The comparison of the atom-pair correlation function to simulated one-dimensional structure function calculated for a model compound benzene (C{sub 6}H{sub 6}) also indicates that C{sub 6} unit is the major components in this coal. The average carbon atom has at least one and one nearest aryl and alkyl C-C atom pairs separated by 1.39 and 1.54{angstrom} respectively.

  7. Dissipation induced asymmetric steering of distant atomic ensembles

    Science.gov (United States)

    Cheng, Guangling; Tan, Huatang; Chen, Aixi

    2018-04-01

    The asymmetric steering effects of separated atomic ensembles denoted by the effective bosonic modes have been explored by the means of quantum reservoir engineering in the setting of the cascaded cavities, in each of which an atomic ensemble is involved. It is shown that the steady-state asymmetric steering of the mesoscopic objects is unconditionally achieved via the dissipation of the cavities, by which the nonlocal interaction occurs between two atomic ensembles, and the direction of steering could be easily controlled through variation of certain tunable system parameters. One advantage of the present scheme is that it could be rather robust against parameter fluctuations, and does not require the accurate control of evolution time and the original state of the system. Furthermore, the double-channel Raman transitions between the long-lived atomic ground states are used and the atomic ensembles act as the quantum network nodes, which makes our scheme insensitive to the collective spontaneous emission of atoms.

  8. Kinetic-energy density functional: Atoms and shell structure

    International Nuclear Information System (INIS)

    Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E.

    1996-01-01

    We present a nonlocal kinetic-energy functional which includes an anisotropic average of the density through a symmetrization procedure. This functional allows a better description of the nonlocal effects of the electron system. The main consequence of the symmetrization is the appearance of a clear shell structure in the atomic density profiles, obtained after the minimization of the total energy. Although previous results with some of the nonlocal kinetic functionals have given incipient structures for heavy atoms, only our functional shows a clear shell structure for most of the atoms. The atomic total energies have a good agreement with the exact calculations. Discussion of the chemical potential and the first ionization potential in atoms is included. The functional is also extended to spin-polarized systems. copyright 1996 The American Physical Society

  9. Atomic absorption spectrophotometer

    International Nuclear Information System (INIS)

    Stockdale, T. J.

    1985-01-01

    In atomic absorption spectrophotometer, a reference path may be provided for radiation which excludes the flame. This radiation provides a signal from a detector which varies only with the instrumental drift produced by variations in the radiation source brightness and by variations in detector gain. The signal can be used to compensate for drift in other signals received through a sample path including the flame. In the present invention, radiation passes through the sample path continuously during measurement, and only through the reference path between sample measurements. Movable mirrors shift the radiation between the paths upon externally applied commands. Conveniently, the reference path measurement is made while the flame is stabilized during the change between samples. The reference path measurements are stored and used to correct for drift

  10. 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.

  11. The influence of atomic alignment on absorption and emission spectroscopy

    Science.gov (United States)

    Zhang, Heshou; Yan, Huirong; Richter, Philipp

    2018-06-01

    Spectroscopic observations play essential roles in astrophysics. They are crucial for determining physical parameters in the universe, providing information about the chemistry of various astronomical environments. The proper execution of the spectroscopic analysis requires accounting for all the physical effects that are compatible to the signal-to-noise ratio. We find in this paper the influence on spectroscopy from the atomic/ground state alignment owing to anisotropic radiation and modulated by interstellar magnetic field, has significant impact on the study of interstellar gas. In different observational scenarios, we comprehensively demonstrate how atomic alignment influences the spectral analysis and provide the expressions for correcting the effect. The variations are even more pronounced for multiplets and line ratios. We show the variation of the deduced physical parameters caused by the atomic alignment effect, including alpha-to-iron ratio ([X/Fe]) and ionisation fraction. Synthetic observations are performed to illustrate the visibility of such effect with current facilities. A study of PDRs in ρ Ophiuchi cloud is presented to demonstrate how to account for atomic alignment in practice. Our work has shown that due to its potential impact, atomic alignment has to be included in an accurate spectroscopic analysis of the interstellar gas with current observational capability.

  12. Variational methods for high-order multiphoton processes

    International Nuclear Information System (INIS)

    Gao, B.; Pan, C.; Liu, C.; Starace, A.F.

    1990-01-01

    Methods for applying the variationally stable procedure for Nth-order perturbative transition matrix elements of Gao and Starace [Phys. Rev. Lett. 61, 404 (1988); Phys. Rev. A 39, 4550 (1989)] to multiphoton processes involving systems other than atomic H are presented. Three specific cases are discussed: one-electron ions or atoms in which the electron--ion interaction is described by a central potential; two-electron ions or atoms in which the electronic states are described by the adiabatic hyperspherical representation; and closed-shell ions or atoms in which the electronic states are described by the multiconfiguration Hartree--Fock representation. Applications are made to the dynamic polarizability of He and the two-photon ionization cross section of Ar

  13. Local and average structures of 0.7Pb(Mg1/3Nb2/3)O3 - 0.3PbZrO3

    International Nuclear Information System (INIS)

    Krishna, P.S.R.; Shinde, A.B.; Narasimhan, S.L.; Tiwari, V.S.; Singh, G.

    2005-01-01

    The local and average structure of 0.7Pb(Mg 1/3 Nb 2/3 )O 3 - 0.3PbZrO 3 (PMN-PZ) was studied by neutron diffraction. The Rietveld refinement was carried out to determine the average, long-range crystallographic structure, while the pair density function (PDF) analysis was used in studying the local atomic structure. The local atomic structure determined by the PDF analysis, was found to be significantly different from the average crystallographic structure determined by the Rietveld analysis. These results show that the conflict between the local structural preference and the average structure is not limited to relax or ferroelectric oxides, but may be widely prevalent in mixed-ion ferroelectrics. (author)

  14. Theoretical atomic physics code development III TAPS: A display code for atomic physics data

    International Nuclear Information System (INIS)

    Clark, R.E.H.; Abdallah, J. Jr.; Kramer, S.P.

    1988-12-01

    A large amount of theoretical atomic physics data is becoming available through use of the computer codes CATS and ACE developed at Los Alamos National Laboratory. A new code, TAPS, has been written to access this data, perform averages over terms and configurations, and display information in graphical or text form. 7 refs., 13 figs., 1 tab

  15. Variation estimation of the averaged cross sections in the direct and adjoint fluxes

    International Nuclear Information System (INIS)

    Cardoso, Carlos Eduardo Santos; Martinez, Aquilino Senra; Silva, Fernando Carvalho da

    1995-01-01

    There are several applications of the perturbation theory to specifics problems of reactor physics, such as nonuniform fuel burnup, nonuniform poison accumulation and evaluations of Doppler effects on reactivity. The neutron fluxes obtained from the solutions of direct and adjoint diffusion equations, are used in these applications. In the adjoint diffusion equation has been used the group constants averaged in the energy-dependent direct neutron flux, that it is not theoretically consistent. In this paper it is presented a method to calculate the energy-dependent adjoint neutron flux, to obtain the average group-constant that will be used in the adjoint diffusion equation. The method is based on the solution of the adjoint neutron balance equations, that were derived for a two regions cell. (author). 5 refs, 2 figs, 1 tab

  16. Quantum mechanical algebraic variational methods for inelastic and reactive molecular collisions

    Science.gov (United States)

    Schwenke, David W.; Haug, Kenneth; Zhao, Meishan; Truhlar, Donald G.; Sun, Yan

    1988-01-01

    The quantum mechanical problem of reactive or nonreactive scattering of atoms and molecules is formulated in terms of square-integrable basis sets with variational expressions for the reactance matrix. Several formulations involving expansions of the wave function (the Schwinger variational principle) or amplitude density (a generalization of the Newton variational principle), single-channel or multichannel distortion potentials, and primitive or contracted basis functions are presented and tested. The test results, for inelastic and reactive atom-diatom collisions, suggest that the methods may be useful for a variety of collision calculations and may allow the accurate quantal treatment of systems for which other available methods would be prohibitively expensive.

  17. Cold atoms in optical cavities and lattices

    International Nuclear Information System (INIS)

    Horak, P.

    1996-11-01

    The thesis is organized in three chapters covering different aspects of the interaction of atoms and light in the framework of theoretical quantum optics. In chapter 1 a special case of a microscopic laser where one or two atoms interact with several quantized cavity modes is discussed. In particular I investigate the properties of the light field created in one of the cavity modes. It is shown that a single-atom model already predicts average photon numbers in agreement with a semiclassical many-atom theory. The two-atom model exhibits additional collective features, such as superradiance and subradiance. In chapter 2 effects of the photon recoil on cold atoms in the limit of long-lived atomic transitions are investigated. First, I demonstrate that, in principle, relying on this scheme, a continuous-wave laser in the ultraviolet frequency domain could be established. Second, the splitting of an atomic beam into two coherent subbeams is discussed within the same scheme. Such beamsplitters play an important role in high-precision measurements using atomic interferometers. Finally, chapter 3 deals with cooling and trapping of atoms by the interaction with laser light. I discuss the properties and the light scattering of atoms trapped in a new light field configuration, a so-called dark optical superlattice. In principle, such systems allow the trapping of more than one atom in the ground state of a single optical potential well. This could give rise to the observation of e.g. atom-atom interactions and quantum statistical effects. (author)

  18. Photodesorption of Na atoms from rough Na surfaces

    DEFF Research Database (Denmark)

    Balzer, Frank; Gerlach, R.; Manson, J.R.

    1997-01-01

    We investigate the desorption of Na atoms from large Na clusters deposited on dielectric surfaces. High-resolution translational energy distributions of the desorbing atoms are determined by three independent methods, two-photon laser-induced fluorescence, as well as single-photon and resonance......-enhanced two-photon ionization techniques. Upon variation of surface temperature and for different substrates (mica vs lithium fluoride) clear non-Maxwellian time-of-flight distributions are observed with a cos θ angular dependence and most probable kinetic energies below that expected of atoms desorbing from...... atoms are scattered by surface vibrations. Recent experiments providing time constants for the decay of the optical excitations in the clusters support this model. The excellent agreement between experiment and theory indicates the importance of both absorption of the laser photons via direct excitation...

  19. Elastic scattering of positronium: Application of the confined variational method

    KAUST Repository

    Zhang, Junyi

    2012-08-01

    We demonstrate for the first time that the phase shift in elastic positronium-atom scattering can be precisely determined by the confined variational method, in spite of the fact that the Hamiltonian includes an unphysical confining potential acting on the center of mass of the positron and one of the atomic electrons. As an example, we study the S-wave elastic scattering for the positronium-hydrogen scattering system, where the existing 4% discrepancy between the Kohn variational calculation and the R-matrix calculation is resolved. © Copyright EPLA, 2012.

  20. Elastic scattering of positronium: Application of the confined variational method

    KAUST Repository

    Zhang, Junyi; Yan, Zong-Chao; Schwingenschlö gl, Udo

    2012-01-01

    We demonstrate for the first time that the phase shift in elastic positronium-atom scattering can be precisely determined by the confined variational method, in spite of the fact that the Hamiltonian includes an unphysical confining potential acting on the center of mass of the positron and one of the atomic electrons. As an example, we study the S-wave elastic scattering for the positronium-hydrogen scattering system, where the existing 4% discrepancy between the Kohn variational calculation and the R-matrix calculation is resolved. © Copyright EPLA, 2012.

  1. Atom-by-atom assembly

    International Nuclear Information System (INIS)

    Hla, Saw Wai

    2014-01-01

    Atomic manipulation using a scanning tunneling microscope (STM) tip enables the construction of quantum structures on an atom-by-atom basis, as well as the investigation of the electronic and dynamical properties of individual atoms on a one-atom-at-a-time basis. An STM is not only an instrument that is used to ‘see’ individual atoms by means of imaging, but is also a tool that is used to ‘touch’ and ‘take’ the atoms, or to ‘hear’ their movements. Therefore, the STM can be considered as the ‘eyes’, ‘hands’ and ‘ears’ of the scientists, connecting our macroscopic world to the exciting atomic world. In this article, various STM atom manipulation schemes and their example applications are described. The future directions of atomic level assembly on surfaces using scanning probe tips are also discussed. (review article)

  2. State Variation in Medical Imaging: Despite Great Variation, the Medicare Spending Decline Continues.

    Science.gov (United States)

    Rosenkrantz, Andrew B; Hughes, Danny R; Duszak, Richard

    2015-10-01

    The purpose of this study was to assess state-level trends in per beneficiary Medicare spending on medical imaging. Medicare part B 5% research identifiable files from 2004 through 2012 were used to compute national and state-by-state annual average per beneficiary spending on imaging. State-to-state geographic variation and temporal trends were analyzed. National average per beneficiary Medicare part B spending on imaging increased 7.8% annually between 2004 ($350.54) and its peak in 2006 ($405.41) then decreased 4.4% annually between 2006 and 2012 ($298.63). In 2012, annual per beneficiary spending was highest in Florida ($367.25) and New York ($355.67) and lowest in Ohio ($67.08) and Vermont ($72.78). Maximum state-to-state geographic variation increased over time, with the ratio of highest-spending state to lowest-spending state increasing from 4.0 in 2004 to 5.5 in 2012. Spending in nearly all states decreased since peaks in 2005 (six states) or 2006 (43 states). The average annual decrease among states was 5.1% ± 1.8% (range, 1.2-12.2%) The largest decrease was in Ohio. In only two states did per beneficiary spending increase (Maryland, 12.5% average annual increase since 2005; Oregon, 4.8% average annual increase since 2008). Medicare part B average per beneficiary spending on medical imaging declined in nearly every state since 2005 and 2006 peaks, abruptly reversing previously reported trends. Spending continued to increase, however, in Maryland and Oregon. Identification of state-level variation may facilitate future investigation of the potential effect of specific and regional changes in spending on patient access and outcomes.

  3. Shannon entropy: A study of confined hydrogenic-like atoms

    Science.gov (United States)

    Nascimento, Wallas S.; Prudente, Frederico V.

    2018-01-01

    The Shannon entropy in the atomic, molecular and chemical physics context is presented by using as test cases the hydrogenic-like atoms Hc, Hec+ and Lic2 + confined by an impenetrable spherical box. Novel expressions for entropic uncertainty relation and Shannon entropies Sr and Sp are proposed to ensure their physical dimensionless characteristic. The electronic ground state energy and the quantities Sr,Sp and St are calculated for the hydrogenic-like atoms to different confinement radii by using a variational method. The global behavior of these quantities and different conjectures are analyzed. The results are compared, when available, with those previously published.

  4. Slow collisions between identical atoms in a laser field: Application of the Born and Markov approximations to the system of moving atoms

    International Nuclear Information System (INIS)

    Trippenbach, M.; Gao, B.; Cooper, J.; Burnett, K.

    1992-01-01

    We have derived reduced-density-matrix equations of motion for a pair of two identical atoms moving in the radiation field as the first step in establishing a theory of collisional redistribution of light from neutral-atom traps. We use the Zwanzig projection-operator technique to average over spontaneous field modes and establish the conditions under which Born and Markov approximations can be applied to the system of moving atoms. It follows from these considerations that when these conditions hold, the reduced-density-matrix equation for moving atoms has the same form as that for the stationary case: time dependence is introduced into the decay rates and interaction potentials by making the substitution R=R(t)

  5. Variational linear algebraic equations method

    International Nuclear Information System (INIS)

    Moiseiwitsch, B.L.

    1982-01-01

    A modification of the linear algebraic equations method is described which ensures a variational bound on the phaseshifts for potentials having a definite sign at all points. The method is illustrated by the elastic scattering of s-wave electrons by the static field of atomic hydrogen. (author)

  6. The E1 transitions in kaonic atoms

    International Nuclear Information System (INIS)

    Qureshi, I.E.

    1984-01-01

    The electric dipole transition rates in kanonic atoms are calculated by using distorted relativistic wave functions. The kaon-nucleus strong interaction which is responsible for the distortion of atomic states is considered to be proportional to the nuclear density and the effective isospin-averaged kaon-nucleon scattering length. Six atoms have been studied for which the last observed X-rays correspond to 3d-2p, 4f-3d, 5g-4f, 6h-5g, 7i-6h and 8j-7i transitions. It is found that the electric dipole transition rate is enhanced by an amount (0.3-7.6)x10 13 s -1 . (orig.)

  7. Nonequilibrium forces between atoms and dielectrics mediated by a quantum field

    International Nuclear Information System (INIS)

    Behunin, Ryan O.; Hu, Bei-Lok

    2011-01-01

    In this paper we give a first principles microphysics derivation of the nonequilibrium forces between an atom, treated as a three-dimensional harmonic oscillator, and a bulk dielectric medium modeled as a continuous lattice of oscillators coupled to a reservoir. We assume no direct interaction between the atom and the medium but there exist mutual influences transmitted via a common electromagnetic field. By employing concepts and techniques of open quantum systems we introduce coarse-graining to the physical variables--the medium, the quantum field, and the atom's internal degrees of freedom, in that order--to extract their averaged effects from the lowest tier progressively to the top tier. The first tier of coarse-graining provides the averaged effect of the medium upon the field, quantified by a complex permittivity (in the frequency domain) describing the response of the dielectric to the field in addition to its back action on the field through a stochastic forcing term. The last tier of coarse-graining over the atom's internal degrees of freedom results in an equation of motion for the atom's center of mass from which we can derive the force on the atom. Our nonequilibrium formulation provides a fully dynamical description of the atom's motion including back-action effects from all other relevant variables concerned. In the long-time limit we recover the known results for the atom-dielectric force when the combined system is in equilibrium or in a nonequilibrium stationary state.

  8. Analysis and evaluation of atom level composition variation and property change due to materials irradiation damage

    International Nuclear Information System (INIS)

    Furuya, Kazuo; Takeguchi, Masaki; Mitsuishi, Kazuki; Song Menhi; Saito, Tetsuya

    2000-01-01

    This study aims at general elucidation of atom level composition variation due to radiation damage and property change accompanied with this under intending to stressing application of the in-situ analysis and evaluation apparatus on material radiation damage. Then, by using the electron energy loss spectroscopy (EELS) capable of showing a power in composition analysis at microscopic region, measurement of EELS on crystal structure change after heat treatment of Xe precipitation was carried out under parallel of its high resolution observation. As a result, a precipitation with less than 30 nm in diameter was observed on a specimen inserted at 473 K. Xe precipitates in crystalline state began to change at 623 K, to be perfectly gassy state at 773 K. In an energy filter image (EFI) using low loss of Xe, distribution of crystalline and non-crystalline Xe was observed. In EELS, peaks at 14.6 and 15.3 eV were observed in 300 and 773 K, respectively, which were thought to be plasmon. And, difference of peak position at the core loss was thought to reflex difference of Xe state at 300 and 773 K. (G.K.)

  9. Hydrogen atom in intense magnetic field.

    Science.gov (United States)

    Canuto, V.; Kelly, D. C.

    1972-01-01

    The structure of a hydrogen atom situated in an intense magnetic field is investigaged. Three approaches are employed. An elementary Bohr picture establishes a crucial magnetic field strength, H sub a approximately equal to 5 x 10 to the 9th G. Fields in excess of H sub a are intense in that they are able to modify the characteristic atomic scales of length and binding energy. A second approach solves the Schrodinger equation by a combination of variational methods and perturbation theory. It yields analytic expressions for the wave functions and energy eigenvalues. A third approach determines the energy eigenvalues by reducing the Schrodinger equation to a one-dimensional wave equation, which is then solved numerically. Energy eigenvalues are tabulated for field strengths of 2 x 10 to the 10th G and 2 x 10 to the 12th G. It is found that at 2 x 10 to the 12th G the lowest energy eigenvalue is changed from -13.6 to about -180 eV in agreement with previous variational computations.

  10. Parametric feedback cooling of a single atom inside on optical cavity

    International Nuclear Information System (INIS)

    Tatjana Wilk

    2014-01-01

    An optical cavity can be used as a kind of intensifier to study radiation features of an atom, which are hard to detect in free space, like squeezing. Such experiments make use of strong coupling between atom and cavity mode, which experimentally requires the atom to be well localized in the cavity mode. This can be achieved using feedback on the atomic motion: from intensity variations of a probe beam transmitted through the cavity information about the atomic motion is gained, which is used to synchronously modulate the trapping potential holding the atom, leading to cooling and better localization. Here, we report on efficient parametric feedback cooling of a single atom held in an intra-cavity standing wave dipole trap. In contrast to previous feedback strategies, this scheme cools the fast axial oscillation of the atom as well as the slower radial motion. (author)

  11. Comparative studies of atomic independent-particle potentials

    International Nuclear Information System (INIS)

    Talman, J.D.; Ganas, P.S.; Green, A.E.S.

    1979-01-01

    A number of atomic properties are compared in various independent-particle models for atoms. The models studied are the Hartree-Fock method, a variationally optimized potential model, a parametrized analytic form of the same model, parametrized analytic models constructed to fit atomic energy levels, the so-called Hartree-Fock-Slater model, and the Xα model. The physical properties compared are single-particle energy levels, total energies, and dipole polarizabilities. The extent to which the virial theorem is satisfied in the different models is also considered. The atoms Be, Ne, Ar, Kr, and Xe and ions O v and Al iv hav been compared. The results show that the experimental properties can be well represented by several of the independent-particle models. Since it has been shown that the optimized potential models yield wavefunctions that are almost the same as Hartree-Fock wavefunctions, they provide a natural solution to the problem of extending the Hartree-Fock method to excited states

  12. Seasonal Variation in Monthly Average Air Change Rates Using Passive Tracer Gas Measurements

    DEFF Research Database (Denmark)

    Frederiksen, Marie; Bergsøe, Niels Christian; Kolarik, Barbara

    2011-01-01

    in five dwellings in Greater Copenhagen, Denmark. A passive tracer gas technique (Perfluorocarbon) was used to measure ACR in a seven-month period. Considerable differences were observed between the dwellings with monthly ACRs ranging from 0.21 to 1.75 h-1. Only smaller seasonal variations, generally less...... driving forces for natural ventilation is partially compensated by changed occupant behaviour....

  13. Feedback control of atomic motion in an optical lattice

    International Nuclear Information System (INIS)

    Morrow, N.V.; Dutta, S.K.; Raithel, G.

    2002-01-01

    We demonstrate a real-time feedback scheme to manipulate wave-packet oscillations of atoms in an optical lattice. The average position of the atoms in the lattice wells is measured continuously and nondestructively. A feedback loop processes the position signal and translates the lattice potential. Depending on the feedback loop characteristics, we find amplification, damping, or an entire alteration of the wave-packet oscillations. Our results are well supported by simulations

  14. Exploring Conceptual Frameworks of Models of Atomic Structures and Periodic Variations, Chemical Bonding, and Molecular Shape and Polarity: A Comparison of Undergraduate General Chemistry Students with High and Low Levels of Content Knowledge

    Science.gov (United States)

    Wang, Chia-Yu; Barrow, Lloyd H.

    2013-01-01

    The purpose of the study was to explore students' conceptual frameworks of models of atomic structure and periodic variations, chemical bonding, and molecular shape and polarity, and how these conceptual frameworks influence their quality of explanations and ability to shift among chemical representations. This study employed a purposeful sampling…

  15. Within-Individual Variation in Preferences Equity Effects of Congestion Charges

    DEFF Research Database (Denmark)

    Borjesson, Maria; Cherchi, Elisabetta; Bierlaire, Michel

    2013-01-01

    in VTT arising from income differences was found to be substantially smaller than the variation in VTT between trips. Moreover, the variability in VTT averaged over all trips within each individual was considerably smaller than the variability in VTT for all observed trips. Therefore, the assumption...... that variation in VTT between observed trips reflects the variation in the average VTT between individuals, which is usually made in equity analyses, will over-state the between-individual variation. The results suggest that if intraindividual variation in preferences is not taken into account, the negative...

  16. The atomic nucleus as a target

    International Nuclear Information System (INIS)

    Strugalski, Z.; Pawlak, T.

    1981-01-01

    The purpose of this article is to characterize the atomic nucleus used as a target in hadron-nucleus collision experiments. The atomic nucleus can be treated as a lens-shaped ''slab'' of nuclear matter. Such ''slab'' should be characterized by the nuclear matter layer thickness at any impact parameter, by its average thickness, and by its maximal thickness. Parameters characterizing atomic nuclei as targets are given for the elements: 6 12 C, 7 14 N, 8 16 O, 9 19 F, 10 20 Ne, 13 27 Al, 14 28 Si, 16 32 S, 18 40 Ar, 24 52 Cr, 26 54 Fe, 27 59 Co, 29 64 Cu, 30 65 Zn, 32 73 Ge, 35 80 Br, 47 100 Ag, 53 127 I, 54 131 Xe, 73 181 Ta, 74 184 W, 79 197 Au, 82 207 Pb, 92 -- 238 U [ru

  17. Relativistic total energy and chemical potential of heavy atoms and positive ions

    International Nuclear Information System (INIS)

    Hill, S.H.; Grout, P.J.; March, N.H.

    1984-01-01

    The relativistic Thomas-Fermi theory, with a finite nucleus, is used to study the variation of the chemical potential μ with atomic number Z and number of electrons N (N <= Z). The difference between the total energy of positive ions and that of the corresponding neutral atom has been obtained. The scaling predictions are confirmed by numerical calculations. The first principles calculation of the relativistic Thomas-Fermi total energy of neutral atoms is also studied. (author)

  18. Ensemble averaged coherent state path integral for disordered bosons with a repulsive interaction (Derivation of mean field equations)

    International Nuclear Information System (INIS)

    Mieck, B.

    2007-01-01

    We consider bosonic atoms with a repulsive contact interaction in a trap potential for a Bose-Einstein condensation (BEC) and additionally include a random potential. The ensemble averages for two models of static (I) and dynamic (II) disorder are performed and investigated in parallel. The bosonic many body systems of the two disorder models are represented by coherent state path integrals on the Keldysh time contour which allow exact ensemble averages for zero and finite temperatures. These ensemble averages of coherent state path integrals therefore present alternatives to replica field theories or super-symmetric averaging techniques. Hubbard-Stratonovich transformations (HST) lead to two corresponding self-energies for the hermitian repulsive interaction and for the non-hermitian disorder-interaction. The self-energy of the repulsive interaction is absorbed by a shift into the disorder-self-energy which comprises as an element of a larger symplectic Lie algebra sp(4M) the self-energy of the repulsive interaction as a subalgebra (which is equivalent to the direct product of M x sp(2); 'M' is the number of discrete time intervals of the disorder-self-energy in the generating function). After removal of the remaining Gaussian integral for the self-energy of the repulsive interaction, the first order variations of the coherent state path integrals result in the exact mean field or saddle point equations, solely depending on the disorder-self-energy matrix. These equations can be solved by continued fractions and are reminiscent to the 'Nambu-Gorkov' Green function formalism in superconductivity because anomalous terms or pair condensates of the bosonic atoms are also included into the selfenergies. The derived mean field equations of the models with static (I) and dynamic (II) disorder are particularly applicable for BEC in d=3 spatial dimensions because of the singularity of the density of states at vanishing wavevector. However, one usually starts out from

  19. Sensitivity of ultracold-atom scattering experiments to variation of the fine-structure constant

    International Nuclear Information System (INIS)

    Borschevsky, A.; Beloy, K.; Flambaum, V. V.; Schwerdtfeger, P.

    2011-01-01

    We present numerical calculations for cesium and mercury to estimate the sensitivity of the scattering length to the variation of the fine-structure constant α. The method used follows the ideas of Chin and Flambaum [Phys. Rev. Lett. 96, 230801 (2006)], where the sensitivity to the variation of the electron-to-proton mass ratio β was considered. We demonstrate that for heavy systems, the sensitivity to the variation of α is of the same order of magnitude as to the variation of β. Near narrow Feshbach resonances, the enhancement of the sensitivity may exceed nine orders of magnitude.

  20. Relationship between partial and average atomic volumes of components in Au-Ni alloys%Au-Ni合金中组元的平均原子体积和偏摩尔体积的关系

    Institute of Scientific and Technical Information of China (English)

    谢佑卿

    2011-01-01

    在系统合金科学框架中建立有关无序合金的平均摩尔性质(体积和势能)的函数.通过对这些函数进行推导,可以得到平均摩尔体积函数、偏摩尔体积函数及派生出与成分相关的函数.在组元的偏摩尔性质和平均摩尔性质之间的普适方程、差分方程、在偏摩尔性质和平均摩尔性质之间不同参数的约束方程和普适的Gibbs-Duhem公式.可以证明从合金平均摩尔性质的不同函数计算的偏摩尔性质是相等的,但总体来说偏摩尔性质不等于给定组元的平均摩尔性质,即偏摩尔性质不能代表相应组元的摩尔性质.通过计算Au-Ni系中组元的偏摩尔体积和平均原子体积以及合金的平均原子体积,证明所建立的公式和函数的正确性.%In the framework of systematic science of alloys,the average molar property (volume and potential energy) functions of disordered alloys were established.From these functions,the average molar property functions,partial molar property functions,derivative functions with respect to composition,general equation of relationship between partial and average molar properties of components,difference equation and constraining equation of different values between partial and average molar properties,as well as general Gibbs-Duhem formula were derived.It was proved that the partial molar properties calculated from various combinative functions of average molar properties of alloys are equal,but in general,the partial molar properties are not equal to the average molar properties of a given component.This means that the partial molar properties cannot represent the corresponding properties of the component.All the equations and functions established in this work were proved to be correct by calculating the results of partial and average atomic volumes of components as well as average atomic volumes of alloys in the Au-Ni system.

  1. Estimates of eddy turbulence consistent with seasonal variations of atomic oxygen and its possible role in the seasonal cycle of mesopause temperature

    Directory of Open Access Journals (Sweden)

    M. N. Vlasov

    2010-11-01

    Full Text Available According to current understanding, adiabatic cooling and heating induced by the meridional circulation driven by gravity waves is the major process for the cold summer and warm winter polar upper mesosphere. However, our calculations show that the upward/downward motion needed for adiabatic cooling/heating of the summer/winter polar mesopause simultaneously induces a seasonal variation in both the O maximum density and the altitude of the [O] peak that is opposite to the observed variables generalized by the MSISE-90 model. It is usually accepted that eddy turbulence can produce the [O] seasonal variations. Using this approach, we can infer the eddy diffusion coefficient for the different seasons. Taking these results and experimental data on the eddy diffusion coefficient, we consider in detail and estimate the heating and cooling caused by eddy turbulence in the summer and winter polar upper mesosphere. The seasonal variations of these processes are similar to the seasonal variations of the temperature and mesopause. These results lead to the conclusion that heating/cooling by eddy turbulence is an important component in the energy budget and that adiabatic cooling/heating induced by upward/downward motion cannot dominate in the mesopause region. Our study shows that the impact of the dynamic process, induced by gravity waves, on [O] distributions must be included in models of thermal balance in the upper mesosphere and lower thermosphere (MLT for a consistent description because (a the [O] distribution is very sensitive to dynamic processes, and (b atomic oxygen plays a very important role in chemical heating and infrared cooling in the MLT. To our knowledge, this is the first attempt to consider this aspect of the problem.

  2. First-principles cluster variation calculations of tetragonal-cubic transition in ZrO2

    International Nuclear Information System (INIS)

    Mohri, Tetsuo; Chen, Ying; Kiyokane, Naoya

    2013-01-01

    Highlights: ► Cluster variation method is extended to study displacive transition. ► Electronic structure total energy calculations are performed on ZrO2. ► Tetragonal-cubic transition is studied within the framework of order -disorder transition. -- Abstract: It is attempted to extend the basic idea of continuous displacement cluster variation method (CDCVM) to the study of a displacive phase transition. As a preliminary study, we focus on cubic to tetragonal transition in ZrO 2 in which oxygen atoms on the cubic lattice are displaced alternatively in the opposite direction (upward and downward) along the tetragonal axis. Within the CDCVM, displaced atoms are regarded as different atomic species, and two distinguished atoms, A-oxygen (upward shifting) and B-oxygen (downward shifting), are introduced in the description of the free energy. FLAPW electronic structure total energy calculations are performed to extract effective interaction energies among displaced oxygen atoms, and by combing them with CDCVM, the transition temperature is calculated from the first-principles

  3. Atomic crystals resistive switching memory

    International Nuclear Information System (INIS)

    Liu Chunsen; Zhang David Wei; Zhou Peng

    2017-01-01

    Facing the growing data storage and computing demands, a high accessing speed memory with low power and non-volatile character is urgently needed. Resistive access random memory with 4F 2 cell size, switching in sub-nanosecond, cycling endurances of over 10 12 cycles, and information retention exceeding 10 years, is considered as promising next-generation non-volatile memory. However, the energy per bit is still too high to compete against static random access memory and dynamic random access memory. The sneak leakage path and metal film sheet resistance issues hinder the further scaling down. The variation of resistance between different devices and even various cycles in the same device, hold resistive access random memory back from commercialization. The emerging of atomic crystals, possessing fine interface without dangling bonds in low dimension, can provide atomic level solutions for the obsessional issues. Moreover, the unique properties of atomic crystals also enable new type resistive switching memories, which provide a brand-new direction for the resistive access random memory. (topical reviews)

  4. Atom ionization in a nonclassical intense electromagnetic field

    International Nuclear Information System (INIS)

    Popov, A.M.; Tikhonova, O.V.

    2002-01-01

    The atoms ionization process in the intense nonclassical electromagnetic field is considered. It is shown that depending on the field quantum state the probability of ionization may essentially change even by one and the same average quantum number in the radiation mode, whereby the difference in the ionization rates is especially significant in the case, when the ionization process is of a multiphoton character. It is demonstrates in particular, that the nonclassical field may be considerably more intensive from the viewpoint of the atoms ionization, than the classical field with the same intensity. The peculiarities of the decay, related to the atomic system state in the strong nonclassical field beyond the perturbation theory frames are studied [ru

  5. Lasers, light-atom interaction

    International Nuclear Information System (INIS)

    Cagnac, B.; Faroux, J.P.

    2002-01-01

    This book has a double purpose: first to explain in a way as simple as possible the interaction processes occurring between atoms and light waves, and secondly to help any scientist that needs further information to improve his knowledge of lasers. The content of this book has been parted into 3 more or less independent sections: 1) effect of an electromagnetic field on a 2-quantum state system, 2) operating mode of lasers in the framework of transition probabilities, and 3) calculation of the emitted wave. Einstein's phenomenological hypothesis has led to probability equations called rate equations, these equations do not give a true representation of the interaction process at the scale of the atom but this representation appears to be true on an average over a large population of atoms. Only quantum mechanics can describe accurately the light-atom interaction but at the cost of a far higher complexity. In the first part of the book quantum mechanics is introduced and applied under 2 simplifying hypothesis: -) the atom system has only 2 non-degenerate states and -) the intensity of the light wave is high enough to involve a large population of photons. Under these hypothesis, Rabi oscillations, Ramsey pattern and the splitting of Autler-Townes levels are explained. The second part is dedicated to the phenomenological model of Einstein that gives good results collectively. In the third part of the book, Maxwell equations are used to compute field spatial distribution that are currently found in experiments involving lasers. (A.C.)

  6. Determination of the diagnostic x-ray tube practical peak voltage (PPV) from average or average peak voltage measurements

    Energy Technology Data Exchange (ETDEWEB)

    Hourdakis, C J, E-mail: khour@gaec.gr [Ionizing Radiation Calibration Laboratory-Greek Atomic Energy Commission, PO Box 60092, 15310 Agia Paraskevi, Athens, Attiki (Greece)

    2011-04-07

    The practical peak voltage (PPV) has been adopted as the reference measuring quantity for the x-ray tube voltage. However, the majority of commercial kV-meter models measure the average peak, U-bar{sub P}, the average, U-bar, the effective, U{sub eff} or the maximum peak, U{sub P} tube voltage. This work proposed a method for determination of the PPV from measurements with a kV-meter that measures the average U-bar or the average peak, U-bar{sub p} voltage. The kV-meter reading can be converted to the PPV by applying appropriate calibration coefficients and conversion factors. The average peak k{sub PPV,kVp} and the average k{sub PPV,Uav} conversion factors were calculated from virtual voltage waveforms for conventional diagnostic radiology (50-150 kV) and mammography (22-35 kV) tube voltages and for voltage ripples from 0% to 100%. Regression equation and coefficients provide the appropriate conversion factors at any given tube voltage and ripple. The influence of voltage waveform irregularities, like 'spikes' and pulse amplitude variations, on the conversion factors was investigated and discussed. The proposed method and the conversion factors were tested using six commercial kV-meters at several x-ray units. The deviations between the reference and the calculated - according to the proposed method - PPV values were less than 2%. Practical aspects on the voltage ripple measurement were addressed and discussed. The proposed method provides a rigorous base to determine the PPV with kV-meters from U-bar{sub p} and U-bar measurement. Users can benefit, since all kV-meters, irrespective of their measuring quantity, can be used to determine the PPV, complying with the IEC standard requirements.

  7. 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.

  8. Robust assignment of cancer subtypes from expression data using a uni-variate gene expression average as classifier

    International Nuclear Information System (INIS)

    Lauss, Martin; Frigyesi, Attila; Ryden, Tobias; Höglund, Mattias

    2010-01-01

    Genome wide gene expression data is a rich source for the identification of gene signatures suitable for clinical purposes and a number of statistical algorithms have been described for both identification and evaluation of such signatures. Some employed algorithms are fairly complex and hence sensitive to over-fitting whereas others are more simple and straight forward. Here we present a new type of simple algorithm based on ROC analysis and the use of metagenes that we believe will be a good complement to existing algorithms. The basis for the proposed approach is the use of metagenes, instead of collections of individual genes, and a feature selection using AUC values obtained by ROC analysis. Each gene in a data set is assigned an AUC value relative to the tumor class under investigation and the genes are ranked according to these values. Metagenes are then formed by calculating the mean expression level for an increasing number of ranked genes, and the metagene expression value that optimally discriminates tumor classes in the training set is used for classification of new samples. The performance of the metagene is then evaluated using LOOCV and balanced accuracies. We show that the simple uni-variate gene expression average algorithm performs as well as several alternative algorithms such as discriminant analysis and the more complex approaches such as SVM and neural networks. The R package rocc is freely available at http://cran.r-project.org/web/packages/rocc/index.html

  9. Time-varying cycle average and daily variation in ambient air pollution and fecundability.

    Science.gov (United States)

    Nobles, Carrie J; Schisterman, Enrique F; Ha, Sandie; Buck Louis, Germaine M; Sherman, Seth; Mendola, Pauline

    2018-01-01

    Does ambient air pollution affect fecundability? While cycle-average air pollution exposure was not associated with fecundability, we observed some associations for acute exposure around ovulation and implantation with fecundability. Ambient air pollution exposure has been associated with adverse pregnancy outcomes and decrements in semen quality. The LIFE study (2005-2009), a prospective time-to-pregnancy study, enrolled 501 couples who were followed for up to one year of attempting pregnancy. Average air pollutant exposure was assessed for the menstrual cycle before and during the proliferative phase of each observed cycle (n = 500 couples; n = 2360 cycles) and daily acute exposure was assessed for sensitive windows of each observed cycle (n = 440 couples; n = 1897 cycles). Discrete-time survival analysis modeled the association between fecundability and an interquartile range increase in each pollutant, adjusting for co-pollutants, site, age, race/ethnicity, parity, body mass index, smoking, income and education. Cycle-average air pollutant exposure was not associated with fecundability. In acute models, fecundability was diminished with exposure to ozone the day before ovulation and nitrogen oxides 8 days post ovulation (fecundability odds ratio [FOR] 0.83, 95% confidence interval [CI]: 0.72, 0.96 and FOR 0.84, 95% CI: 0.71, 0.99, respectively). However, particulate matter ≤10 microns 6 days post ovulation was associated with greater fecundability (FOR 1.25, 95% CI: 1.01, 1.54). Although our study was unlikely to be biased due to confounding, misclassification of air pollution exposure and the moderate study size may have limited our ability to detect an association between ambient air pollution and fecundability. While no associations were observed for cycle-average ambient air pollution exposure, consistent with past research in the United States, exposure during critical windows of hormonal variability was associated with prospectively measured couple

  10. Continuum-Coupling in Electron-Atom scattering

    International Nuclear Information System (INIS)

    Ballance, C.P.; Griffin, D.C.; Badnell, N.R.; Loch, S.D.; Pindzola, M.S.

    2004-01-01

    High quality fundamental atomic data provide the foundation of accurate collisional-radiative models of laboratory and astrophysical plasmas. In the SciDAC (Scientific Discovery through Advanced Computing) project entitled 'Terascale Computational Atomic Physics for the Edge Region in Controlled Fusion Plasmas', we employ an integrated approach from the calculation of basic atomic data to the modeling necessary for the interpretation of controlled nuclear fusion experiments. For example, helium electron-impact excitation results support helium puff experiments on the MAST (Mega Ampere Spherical Tokamak) at Culham to diagnose the radial variation in plasma density and temperature. Similarly, electron-impact excitation/ionization work for isonuclear beryllium will prove vital if beryllium is adopted as a surface material for the plasma-facing walls for ITER. Here we will discuss some examples of electron-impact excitation and ionization, where the effects of coupling to and between the target continuum states are large, and advanced close-coupling methods are required in order to generate data of sufficient accuracy

  11. A metastable helium trap for atomic collision physics

    International Nuclear Information System (INIS)

    Colla, M.; Gulley, R.; Uhlmann, L.; Hoogerland, M.D.; Baldwin, K.G.H.; Buckman, S.J.

    1999-01-01

    Full text: Metastable helium in the 2 3 S state is an important species for atom optics and atomic collision physics. Because of its large internal energy (20eV), long lifetime (∼8000s) and large collision cross section for a range of processes, metastable helium plays an important role in atmospheric physics, plasma discharges and gas laser physics. We have embarked on a program of studies on atom-atom and electron-atom collision processes involving cold metastable helium. We confine metastable helium atoms in a magneto-optic trap (MOT), which is loaded by a transversely collimated, slowed and 2-D focussed atomic beam. We employ diode laser tuned to the 1083 nm (2 3 S 1 - 2 3 P2 1 ) transition to generate laser cooling forces in both the loading beam and the trap. Approximately 10 million helium atoms are trapped at temperatures of ∼ 1mK. We use phase modulation spectroscopy to measure the trapped atomic density. The cold, trapped atoms can collide to produce either atomic He + or molecular He 2 + ions by Penning Ionisation (PI) or Associative Ionisation (AI). The rate of formation of these ions is dependant upon the detuning of the trapping laser from resonance. A further laser can be used to connect the 2 3 S 1 state to another higher lying excited state, and variation of the probe laser detuning used to measure interatomic collision potential. Electron-atom collision processes are studied using a monochromatic electron beam with a well defined spatial current distribution. The total trap loss due to electron collisions is measured as a function of electron energy. Results will be presented for these atomic collision physics measurements involving cold, trapped metastable helium atoms. Copyright (1999) Australian Optical Society

  12. Atomic Charges and Chemical Bonding in Y-Ga Compounds

    Directory of Open Access Journals (Sweden)

    Yuri Grin

    2018-02-01

    Full Text Available A negative deviation from Vegard rule for the average atomic volume versus yttrium content was found from experimental crystallographic information about the binary compounds of yttrium with gallium. Analysis of the electron density (DFT calculations employing the quantum theory of atoms in molecules revealed an increase in the atomic volumes of both Y and Ga with the increase in yttrium content. The non-linear increase is caused by the strengthening of covalent Y-Ga interactions with stronger participation of genuine penultimate shell electrons (4d electrons of yttrium in the valence region. Summing the calculated individual atomic volumes for a unit cell allows understanding of the experimental trend. With increasing yttrium content, the polarity of the Y-Ga bonding and, thus its ionicity, rises. The covalency of the atomic interactions in Y-Ga compounds is consistent with their delocalization from two-center to multi-center ones.

  13. Atomic-Scale Control of Electron Transport through Single Molecules

    DEFF Research Database (Denmark)

    Wang, Y. F.; Kroger, J.; Berndt, R.

    2010-01-01

    Tin-phthalocyanine molecules adsorbed on Ag(111) were contacted with the tip of a cryogenic scanning tunneling microscope. Orders-of-magnitude variations of the single-molecule junction conductance were achieved by controllably dehydrogenating the molecule and by modifying the atomic structure...

  14. Photon energy dependent intensity variations observed in Auger spectra of free argon clusters

    International Nuclear Information System (INIS)

    Lundwall, M; Lindblad, A; Bergersen, H; Rander, T; Oehrwall, G; Tchaplyguine, M; Peredkov, S; Svensson, S; Bjoerneholm, O

    2006-01-01

    Photon energy dependent intensity variations are experimentally observed in the L 2,3 M 2,3 M 2,3 Auger spectra of argon clusters. Two cluster sizes are examined in the present study. Extrinsic scattering effects, both elastic and inelastic, involving the photoelectron are discussed and suggested as the explanation of the variations in the Auger signal. The atoms in the first few coordination shells surrounding the core-ionized atom are proposed to be the main targets for the scattering processes

  15. 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)

  16. Bremsstrahlung in atom-atom collisions

    International Nuclear Information System (INIS)

    Amus'ya, M.Y.; Kuchiev, M.Y.; Solov'ev, A.V.

    1985-01-01

    It is shown that in the collision of a fast atom with a target atom when the frequencies are on the order of the potentials or higher, there arises bremsstrahlung comparable in intensity with the bremsstrahlung emitted by an electron with the same velocity in the field of the target atom. The mechanism by which bremsstrahlung is produced in atom-atom collisions is elucidated. Results of specific calculations of the bremsstrahlung spectra are given for α particles and helium atoms colliding with xenon

  17. Remote atomic clock synchronization via satellites and optical fibers

    OpenAIRE

    Piester, D.; Rost, M.; Fujieda, M.; Feldmann, T.; Bauch, A.

    2011-01-01

    In the global network of institutions engaged with the realization of International Atomic Time (TAI), atomic clocks and time scales are compared by means of the Global Positioning System (GPS) and by employing telecommunication satellites for two-way satellite time and frequency transfer (TWSTFT). The frequencies of the state-of-the-art primary caesium fountain clocks can be compared at the level of 10−15 (relative, 1 day averaging) and time scales can be synchronized...

  18. Dynamics in atomic signaling games

    KAUST Repository

    Fox, Michael J.

    2015-04-08

    We study an atomic signaling game under stochastic evolutionary dynamics. There are a finite number of players who repeatedly update from a finite number of available languages/signaling strategies. Players imitate the most fit agents with high probability or mutate with low probability. We analyze the long-run distribution of states and show that, for sufficiently small mutation probability, its support is limited to efficient communication systems. We find that this behavior is insensitive to the particular choice of evolutionary dynamic, a property that is due to the game having a potential structure with a potential function corresponding to average fitness. Consequently, the model supports conclusions similar to those found in the literature on language competition. That is, we show that efficient languages eventually predominate the society while reproducing the empirical phenomenon of linguistic drift. The emergence of efficiency in the atomic case can be contrasted with results for non-atomic signaling games that establish the non-negligible possibility of convergence, under replicator dynamics, to states of unbounded efficiency loss.

  19. Dynamics in atomic signaling games

    KAUST Repository

    Fox, Michael J.; Touri, Behrouz; Shamma, Jeff S.

    2015-01-01

    We study an atomic signaling game under stochastic evolutionary dynamics. There are a finite number of players who repeatedly update from a finite number of available languages/signaling strategies. Players imitate the most fit agents with high probability or mutate with low probability. We analyze the long-run distribution of states and show that, for sufficiently small mutation probability, its support is limited to efficient communication systems. We find that this behavior is insensitive to the particular choice of evolutionary dynamic, a property that is due to the game having a potential structure with a potential function corresponding to average fitness. Consequently, the model supports conclusions similar to those found in the literature on language competition. That is, we show that efficient languages eventually predominate the society while reproducing the empirical phenomenon of linguistic drift. The emergence of efficiency in the atomic case can be contrasted with results for non-atomic signaling games that establish the non-negligible possibility of convergence, under replicator dynamics, to states of unbounded efficiency loss.

  20. Theoretical calculation of saturated absorption for multilevel atoms

    International Nuclear Information System (INIS)

    O'Kane, T.J.; Scholten, R.E.; Farrell, P.M.

    1998-01-01

    We present the first theoretical saturated absorption spectra for general multi-level atoms, using a model based on extensions of the optical Bloch equations, and using Monte Carlo averaging of the absorption of individual atoms with random trajectories through a standing wave. We are for the first time able to accurately predict the merging of hyperfine and cross-over resonances due to intensity dependent phenomena such as power broadening. Results for 20-level sodium and 24-level rubidium models are presented and compared to experiment, demonstrating excellent agreement

  1. Sensitive detection of individual neutral atoms in a strong coupling cavity QED system

    International Nuclear Information System (INIS)

    Zhang Pengfei; Zhang Yuchi; Li Gang; Du Jinjin; Zhang Yanfeng; Guo Yanqiang; Wang Junmin; Zhang Tiancai; Li Weidong

    2011-01-01

    We experimentally demonstrate real-time detection of individual cesium atoms by using a high-finesse optical micro-cavity in a strong coupling regime. A cloud of cesium atoms is trapped in a magneto-optical trap positioned at 5 mm above the micro-cavity center. The atoms fall down freely in gravitation after shutting off the magneto-optical trap and pass through the cavity. The cavity transmission is strongly affected by the atoms in the cavity, which enables the micro-cavity to sense the atoms individually. We detect the single atom transits either in the resonance or various detunings. The single atom vacuum-Rabi splitting is directly measured to be Ω = 2π × 23.9 MHz. The average duration of atom-cavity coupling of about 110 μs is obtained according to the probability distribution of the atom transits. (authors)

  2. xGASS: total cold gas scaling relations and molecular-to-atomic gas ratios of galaxies in the local Universe

    Science.gov (United States)

    Catinella, Barbara; Saintonge, Amélie; Janowiecki, Steven; Cortese, Luca; Davé, Romeel; Lemonias, Jenna J.; Cooper, Andrew P.; Schiminovich, David; Hummels, Cameron B.; Fabello, Silvia; Geréb, Katinka; Kilborn, Virginia; Wang, Jing

    2018-05-01

    We present the extended GALEX Arecibo SDSS Survey (xGASS), a gas fraction-limited census of the atomic hydrogen (H I) gas content of 1179 galaxies selected only by stellar mass (M⋆ = 109-1011.5 M⊙) and redshift (0.01 new Arecibo observations of 208 galaxies, for which we release catalogues and H I spectra. In addition to extending the GASS H I scaling relations by one decade in stellar mass, we quantify total (atomic+molecular) cold gas fractions and molecular-to-atomic gas mass ratios, Rmol, for the subset of 477 galaxies observed with the IRAM 30 m telescope. We find that atomic gas fractions keep increasing with decreasing stellar mass, with no sign of a plateau down to log M⋆/M⊙ = 9. Total gas reservoirs remain H I-dominated across our full stellar mass range, hence total gas fraction scaling relations closely resemble atomic ones, but with a scatter that strongly correlates with Rmol, especially at fixed specific star formation rate. On average, Rmol weakly increases with stellar mass and stellar surface density μ⋆, but individual values vary by almost two orders of magnitude at fixed M⋆ or μ⋆. We show that, for galaxies on the star-forming sequence, variations of Rmol are mostly driven by changes of the H I reservoirs, with a clear dependence on μ⋆. Establishing if galaxy mass or structure plays the most important role in regulating the cold gas content of galaxies requires an accurate separation of bulge and disc components for the study of gas scaling relations.

  3. Atomic and Molecular Systems in Intense Ultrashort Laser Pulses

    Science.gov (United States)

    Saenz, A.

    2008-07-01

    The full quantum mechanical treatment of atomic and molecular systems exposed to intense laser pulses is a so far unsolved challenge, even for systems as small as molecular hydrogen. Therefore, a number of simplified qualitative and quantitative models have been introduced in order to provide at least some interpretational tools for experimental data. The assessment of these models describing the molecular response is complicated, since a comparison to experiment requires often a number of averages to be performed. This includes in many cases averaging of different orientations of the molecule with respect to the laser field, focal volume effects, etc. Furthermore, the pulse shape and even the peak intensity is experimentally not known with very high precision; considering, e.g., the exponential intensity dependence of the ionization signal. Finally, experiments usually provide only relative yields. As a consequence of all these averagings and uncertainties, it is possible that different models may successfully explain some experimental results or features, although these models disagree substantially, if their predictions are compared before averaging. Therefore, fully quantum-mechanical approaches at least for small atomic and molecular systems are highly desirable and have been developed in our group. This includes efficient codes for solving the time-dependent Schrodinger equation of atomic hydrogen, helium or other effective one- or two-electron atoms as well as for the electronic motion in linear (effective) one-and two-electron diatomic molecules like H_2.Very recently, a code for larger molecular systems that adopts the so-called single-active electron approximation was also successfully implemented and applied. In the first part of this talk popular models describing intense laser-field ionization of atoms and their extensions to molecules are described. Then their validity is discussed on the basis of quantum-mechanical calculations. Finally, some

  4. Geminal embedding scheme for optimal atomic basis set construction in correlated calculations

    Energy Technology Data Exchange (ETDEWEB)

    Sorella, S., E-mail: sorella@sissa.it [International School for Advanced Studies (SISSA), Via Beirut 2-4, 34014 Trieste, Italy and INFM Democritos National Simulation Center, Trieste (Italy); Devaux, N.; Dagrada, M., E-mail: mario.dagrada@impmc.upmc.fr [Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, Case 115, 4 Place Jussieu, 75252 Paris Cedex 05 (France); Mazzola, G., E-mail: gmazzola@phys.ethz.ch [Theoretische Physik, ETH Zurich, 8093 Zurich (Switzerland); Casula, M., E-mail: michele.casula@impmc.upmc.fr [CNRS and Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, Case 115, 4 Place Jussieu, 75252 Paris Cedex 05 (France)

    2015-12-28

    We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out from its environment, while the entire system (atom and environment) is described by a Slater determinant or its antisymmetrized geminal power (AGP) extension. The embedding procedure described here allows for the systematic and consistent contraction of the primitive basis set into geminal embedded orbitals (GEOs), with a dramatic reduction of the number of variational parameters necessary to represent the many-body wave function, for a chosen target accuracy. Within the variational Monte Carlo method, the Slater or AGP part is determined by a variational minimization of the energy of the whole system in presence of a flexible and accurate Jastrow factor, representing most of the dynamical electronic correlation. The resulting GEO basis set opens the way for a fully controlled optimization of many-body wave functions in electronic structure calculation of bulk materials, namely, containing a large number of electrons and atoms. We present applications on the water molecule, the volume collapse transition in cerium, and the high-pressure liquid hydrogen.

  5. Inverse methods for estimating primary input signals from time-averaged isotope profiles

    Science.gov (United States)

    Passey, Benjamin H.; Cerling, Thure E.; Schuster, Gerard T.; Robinson, Todd F.; Roeder, Beverly L.; Krueger, Stephen K.

    2005-08-01

    Mammalian teeth are invaluable archives of ancient seasonality because they record along their growth axes an isotopic record of temporal change in environment, plant diet, and animal behavior. A major problem with the intra-tooth method is that intra-tooth isotope profiles can be extremely time-averaged compared to the actual pattern of isotopic variation experienced by the animal during tooth formation. This time-averaging is a result of the temporal and spatial characteristics of amelogenesis (tooth enamel formation), and also results from laboratory sampling. This paper develops and evaluates an inverse method for reconstructing original input signals from time-averaged intra-tooth isotope profiles. The method requires that the temporal and spatial patterns of amelogenesis are known for the specific tooth and uses a minimum length solution of the linear system Am = d, where d is the measured isotopic profile, A is a matrix describing temporal and spatial averaging during amelogenesis and sampling, and m is the input vector that is sought. Accuracy is dependent on several factors, including the total measurement error and the isotopic structure of the measured profile. The method is shown to accurately reconstruct known input signals for synthetic tooth enamel profiles and the known input signal for a rabbit that underwent controlled dietary changes. Application to carbon isotope profiles of modern hippopotamus canines reveals detailed dietary histories that are not apparent from the measured data alone. Inverse methods show promise as an effective means of dealing with the time-averaging problem in studies of intra-tooth isotopic variation.

  6. Laser-assisted atom-atom collisions

    International Nuclear Information System (INIS)

    Roussel, F.

    1984-01-01

    The basic layer-assisted atom-atom collision processes are reviewed in order to get a simpler picture of the main physical facts. The processes can be separated into two groups: optical collisions where only one atom is changing state during the collision, the other acting as a spectator atom, and radiative collisions where the states of the two atoms are changing during the collision. All the processes can be interpreted in terms of photoexcitation of the quasimolecule formed during the collisional process. (author)

  7. Large-signal analysis of DC motor drive system using state-space averaging technique

    International Nuclear Information System (INIS)

    Bekir Yildiz, Ali

    2008-01-01

    The analysis of a separately excited DC motor driven by DC-DC converter is realized by using state-space averaging technique. Firstly, a general and unified large-signal averaged circuit model for DC-DC converters is given. The method converts power electronic systems, which are periodic time-variant because of their switching operation, to unified and time independent systems. Using the averaged circuit model enables us to combine the different topologies of converters. Thus, all analysis and design processes about DC motor can be easily realized by using the unified averaged model which is valid during whole period. Some large-signal variations such as speed and current relating to DC motor, steady-state analysis, large-signal and small-signal transfer functions are easily obtained by using the averaged circuit model

  8. Parameterization of Time-Averaged Suspended Sediment Concentration in the Nearshore

    Directory of Open Access Journals (Sweden)

    Hyun-Doug Yoon

    2015-11-01

    Full Text Available To quantify the effect of wave breaking turbulence on sediment transport in the nearshore, the vertical distribution of time-averaged suspended sediment concentration (SSC in the surf zone was parameterized in terms of the turbulent kinetic energy (TKE at different cross-shore locations, including the bar crest, bar trough, and inner surf zone. Using data from a large-scale laboratory experiment, a simple relationship was developed between the time-averaged SSC and the time-averaged TKE. The vertical variation of the time-averaged SSC was fitted to an equation analogous to the turbulent dissipation rate term. At the bar crest, the proposed equation was slightly modified to incorporate the effect of near-bed sediment processes and yielded reasonable agreement. This parameterization yielded the best agreement at the bar trough, with a coefficient of determination R2 ≥ 0.72 above the bottom boundary layer. The time-averaged SSC in the inner surf zone showed good agreement near the bed but poor agreement near the water surface, suggesting that there is a different sedimentation mechanism that controls the SSC in the inner surf zone.

  9. Characterization of the flowing afterglows of an N{sub 2}-O{sub 2} reduced-pressure discharge: setting the operating conditions to achieve a dominant late afterglow and correlating the NO{sub {beta}} UV intensity variation with the N and O atom densities

    Energy Technology Data Exchange (ETDEWEB)

    Boudam, M K [Groupe de Physique des Plasmas, Universite de Montreal, CP 6128, Succursale Centre-Ville, Montreal H3C 3J7, Quebec (Canada); Saoudi, B [Groupe de Physique des Plasmas, Universite de Montreal, CP 6128, Succursale Centre-Ville, Montreal H3C 3J7, Quebec (Canada); Moisan, M [Groupe de Physique des Plasmas, Universite de Montreal, CP 6128, Succursale Centre-Ville, Montreal H3C 3J7, Quebec (Canada); Ricard, A [Centre de Physique Atomique de Toulouse (CPAT), 118, route de Narbonne, Universite Paul Sabatier, 31062-Toulouse (France)

    2007-03-21

    ) densities of N and O atoms in the discharge are determined by using the actinometry method: the density of N atoms decreases from its maximum value at 0% O{sub 2} as the percentage of O{sub 2} is increased while the density of O atoms increases, almost linearly, as a function of the percentage of O{sub 2}, as in the afterglow. The intensity variation of the NO{sub {beta}} UV emission as a function of the percentage of O{sub 2} is characterized by a maximum around 0.6% O{sub 2} (2 Torr) followed by an approximately exponential decay. We observe that, in the 0-1% O{sub 2} range, the UV emission is limited by the availability of O atoms. Beyond this point, the decrease of the UV intensity follows the decrease in the N atom density, while on the average, the O atom density keeps on increasing with O{sub 2}%. Erosion of polymer microspheres is found to be strongest at the chamber axis when no O{sub 2} is present, implying a dominant early afterglow. Adding even only 1% O{sub 2} causes a strong quenching of the N{sub 2} metastable species, leading to a dominant late afterglow and therefore considerably reducing the etching rate at the axis. In contrast, at 5 cm from the axis under the same operating conditions, a dominant late afterglow prevails; in the absence of oxygen, erosion is negligible, but it increases regularly as O{sub 2} is introduced, following approximately the increase in the O atom density.

  10. Identification of Large-Scale Structure Fluctuations in IC Engines using POD-Based Conditional Averaging

    Directory of Open Access Journals (Sweden)

    Buhl Stefan

    2016-01-01

    Full Text Available Cycle-to-Cycle Variations (CCV in IC engines is a well-known phenomenon and the definition and quantification is well-established for global quantities such as the mean pressure. On the other hand, the definition of CCV for local quantities, e.g. the velocity or the mixture distribution, is less straightforward. This paper proposes a new method to identify and calculate cyclic variations of the flow field in IC engines emphasizing the different contributions from large-scale energetic (coherent structures, identified by a combination of Proper Orthogonal Decomposition (POD and conditional averaging, and small-scale fluctuations. Suitable subsets required for the conditional averaging are derived from combinations of the the POD coefficients of the second and third mode. Within each subset, the velocity is averaged and these averages are compared to the ensemble-averaged velocity field, which is based on all cycles. The resulting difference of the subset-average and the global-average is identified as a cyclic fluctuation of the coherent structures. Then, within each subset, remaining fluctuations are obtained from the difference between the instantaneous fields and the corresponding subset average. The proposed methodology is tested for two data sets obtained from scale resolving engine simulations. For the first test case, the numerical database consists of 208 independent samples of a simplified engine geometry. For the second case, 120 cycles for the well-established Transparent Combustion Chamber (TCC benchmark engine are considered. For both applications, the suitability of the method to identify the two contributions to CCV is discussed and the results are directly linked to the observed flow field structures.

  11. Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics.

    Science.gov (United States)

    Rudik, Anastasia V; Dmitriev, Alexander V; Lagunin, Alexey A; Filimonov, Dmitry A; Poroikov, Vladimir V

    2016-01-01

    The knowledge of drug metabolite structures is essential at the early stage of drug discovery to understand the potential liabilities and risks connected with biotransformation. The determination of the site of a molecule at which a particular metabolic reaction occurs could be used as a starting point for metabolite identification. The prediction of the site of metabolism does not always correspond to the particular atom that is modified by the enzyme but rather is often associated with a group of atoms. To overcome this problem, we propose to operate with the term "reacting atom", corresponding to a single atom in the substrate that is modified during the biotransformation reaction. The prediction of the reacting atom(s) in a molecule for the major classes of biotransformation reactions is necessary to generate drug metabolites. Substrates of the major human cytochromes P450 and UDP-glucuronosyltransferases from the Biovia Metabolite database were divided into nine groups according to their reaction classes, which are aliphatic and aromatic hydroxylation, N- and O-glucuronidation, N-, S- and C-oxidation, and N- and O-dealkylation. Each training set consists of positive and negative examples of structures with one labelled atom. In the positive examples, the labelled atom is the reacting atom of a particular reaction that changed adjacency. Negative examples represent non-reacting atoms of a particular reaction. We used Labelled Multilevel Neighbourhoods of Atoms descriptors for the designation of reacting atoms. A Bayesian-like algorithm was applied to estimate the structure-activity relationships. The average invariant accuracy of prediction obtained in leave-one-out and 20-fold cross-validation procedures for five human isoforms of cytochrome P450 and all isoforms of UDP-glucuronosyltransferase varies from 0.86 to 0.99 (0.96 on average). We report that reacting atoms may be predicted with reasonable accuracy for the major classes of metabolic reactions

  12. Photoexcitation and ionization of hydrogen atom confined in Debye environment

    International Nuclear Information System (INIS)

    Lumb, S.; Lumb, S.; Nautiyal, V.

    2015-01-01

    The dynamics of a hydrogen atom confined in an impenetrable spherical box and under the effect of Debye screening, in the presence of intense short laser pulses of few femtosecond is studied in detail. The energy spectra and wave functions have been calculated using Bernstein polynomial (B-polynomial) method. Variation of transition probabilities for various transitions due to changes in Debye screening length, confinement radius as well as the parameters characterizing applied laser pulse is studied and explained. The results are found to be in good agreement with the results obtained by others. The photoexcitation and ionization of the atom strongly depend on confinement radius and screening parameter. For small confinement radii and for some values of screening parameter the atom is found to be ionized easily. The dynamics of the atom can be easily controlled by varying pulse parameters

  13. Atom Skimmers and Atom Lasers Utilizing Them

    Science.gov (United States)

    Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.

    2005-01-01

    Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

  14. Safety precautions in atomic pile control (1962)

    International Nuclear Information System (INIS)

    Furet, J.

    1962-01-01

    We have been led to study the problem of safety in atomic pile control as a result of our participation on the one hand in the planning of C.E.A. atomic piles, and on the other hand in the pile safety sub omission considering atomic pile safety of operational or planned C.E.A. piles. We have thus had to consider the wishes occurring in piles during their operation and also their behaviour in the dynamic state The present work deals mainly with the importance of intrinsic safety devices, with the influence of reactivity variations on the power fluctuations during accidental operation, and with the development of robust and reliable safety appliances. The starting p accident has been especially studied both for low-flux piles where a compromise is necessary between the response time of the safety appliances and the statistical fluctuations and for high lux piles where xenon poisoning has an effect on the lower limit of the velocity of reactivity liberation. The desirability has been stressed of automation as a safety factor in atomic pile control. The details required for an understanding of the diagrams of the apparatus are given. (author) [fr

  15. Specification of optical components for a high average-power laser environment

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, J.R.; Chow, R.; Rinmdahl, K.A.; Willis, J.B.; Wong, J.N.

    1997-06-25

    Optical component specifications for the high-average-power lasers and transport system used in the Atomic Vapor Laser Isotope Separation (AVLIS) plant must address demanding system performance requirements. The need for high performance optics has to be balanced against the practical desire to reduce the supply risks of cost and schedule. This is addressed in optical system design, careful planning with the optical industry, demonstration of plant quality parts, qualification of optical suppliers and processes, comprehensive procedures for evaluation and test, and a plan for corrective action.

  16. Construction of localized atomic wave packets

    International Nuclear Information System (INIS)

    Ranjani, S Sree; Kapoor, A K; Panigrahi, P K

    2010-01-01

    It is shown that highly localized solitons can be created in lower dimensional Bose-Einstein condensates (BECs), trapped in a regular harmonic trap, by temporally varying the trap frequency. A BEC confined in such a trap can be effectively used to construct a pulsed atomic laser emitting coherent atomic wave packets. In addition to having a complete control over the spatio-temporal dynamics of the solitons, we can separate the equation governing the Kohn mode (centre of mass motion). We investigate the effect of the temporal modulation of the trap frequency on the spatio-temporal dynamics of the bright solitons and also on the Kohn mode. The dynamics of the solitons and the variations in the Kohn mode with time are compared with those in a BEC confined in a trap with unmodulated trap frequency.

  17. Influence on social life of atomic bomb, chapter 3

    International Nuclear Information System (INIS)

    Anon.

    1979-01-01

    Atomic bombs, for the first time in human history, were dropped on Hiroshima in August 6, and on Nagasaki on August 9, 1945. Though the powers of these bombs were far small as compared with those of present day nuclear weapons, the atomic bombs claimed many lives instantaneously, damaged human bodies, and destroyed all objects, annihilating the urban areas. Even today, the dreadful consequences of the bombings still remain in both body and mind of the victims. Meanwhile, the experiences of atomic bomb disasters are fading constantly. In order to maintain the vivid information, in Part 3 ''Influence on social life'', the following matters are described: relations of the atomic bombings to society; destroyed societies such as disruption of regional societies and loss of wealth; life of the sufferers such as occupation, marriage, hardships of life, orphans, livelihood variation, and suffering of foreigners; and mental process of the sufferers. (J.P.N.)

  18. Outdoor radon variation in Romania

    International Nuclear Information System (INIS)

    Simion, Elena; Simion, Florin

    2008-01-01

    Full text: The results of a long-term survey (1992 - 2006) of the variations of outdoor radon concentrations in semi-natural location from Romania are reported in the present paper. Measurements, covering between two and four sessions of the day (morning, afternoon, evening and night), were performed on a daily bases by 37 Environmental Radioactivity Monitoring Stations from National Environmental Radioactivity Survey Network. The method used was based on indirect determination of outdoor radon from aerosol samples collected on glass micro-fibre filters by drawing the air through the filters. The sampling was performed in a fixed place at a height of 2 m above the ground surface. Total beta counting of aerosol samples collected was performed immediately and after 20 hours. Values recorded during the years of continuous measurement indicated the presence of several patterns in the long-term variation of outdoor radon concentration: diurnal, seasonal and annual variation. For diurnal variation, outdoor radon concentration shows a maximum values in the night (early hours) and minimum values by day (in the afternoon). On average, this maximum is a factor of 2 higher than the minimum. Late autumn - beginning of winter maximum and an early spring minimum are characteristic for seasonal patterns. In the long term a seasonal pattern was observed for diurnal variation, with an average diurnal maximum to minimum ratio of 1.33 in winter compared with 3.0 in the summer months. The variations of outdoor radon levels showed little correlation with the uranium concentration of the ground and were attributed to changes in soil moisture content. In dry seasons, because of the low precipitation, the soil was drying out in the summer allowing fractures to develop and radon to migrate easily through the ground. Depending on micro-climatic and geological conditions, outdoor radon average concentrations in different regions of Romania are from 1200 mBq/mc to 13065 mBq/mc. The smallest

  19. Reaction studies of hot silicon, germanium and carbon atoms

    International Nuclear Information System (INIS)

    Gaspar, P.P.

    1990-01-01

    The goal of this project was to increase the authors understanding of the interplay between the kinetic and electronic energy of free atoms and their chemical reactivity by answering the following questions: (1) what is the chemistry of high-energy carbon silicon and germanium atoms recoiling from nuclear transformations; (2) how do the reactions of recoiling carbon, silicon and germanium atoms take place - what are the operative reaction mechanisms; (3) how does the reactivity of free carbon, silicon and germanium atoms vary with energy and electronic state, and what are the differences in the chemistry of these three isoelectronic atoms? This research program consisted of a coordinated set of experiments capable of achieving these goals by defining the structures, the kinetic and internal energy, and the charge states of the intermediates formed in the gas-phase reactions of recoiling silicon and germanium atoms with silane, germane, and unsaturated organic molecules, and of recoiling carbon atoms with aromatic molecules. The reactions of high energy silicon, germanium, and carbon atoms created by nuclear recoil were studied with substrates chosen so that their products illuminated the mechanism of the recoil reactions. Information about the energy and electronic state of the recoiling atoms at reaction was obtained from the variation in end product yields and the extent of decomposition and rearrangement of primary products (usually reactive intermediates) as a function of total pressure and the concentration of inert moderator molecules that remove kinetic energy from the recoiling atoms and can induce transitions between electronic spin states. 29 refs

  20. Isotopic composition of the elements and their variation in nature: a preliminary report

    International Nuclear Information System (INIS)

    Holden, N.E.

    1977-03-01

    Data in the literature on isotopic abundance values and their variation in nature are reviewed. Recommended values are presented for the isotopic abundances of all stable elements, their natural variation, and the corresponding atomic weights of these elements. 2 tables, 133 references

  1. Lipid domain formation and ligand-receptor distribution in lipid bilayer membranes investigated by atomic force microscopy

    DEFF Research Database (Denmark)

    Kaasgaard, Thomas; Mouritsen, O.G.; Jørgensen, K.

    2002-01-01

    A novel experimental technique, based on atomic force microscopy (AFM), is proposed to visualize the lateral organization of membrane systems in the nanometer range. The technique involves the use of a ligand-receptor pair, biotin-avidin, which introduces a height variation on a solid-supported l......A novel experimental technique, based on atomic force microscopy (AFM), is proposed to visualize the lateral organization of membrane systems in the nanometer range. The technique involves the use of a ligand-receptor pair, biotin-avidin, which introduces a height variation on a solid...

  2. Electron and positron atomic elastic scattering cross sections

    International Nuclear Information System (INIS)

    Stepanek, Jiri

    2003-01-01

    A method was developed to calculate the total and differential elastic-scattering cross sections for incident electrons and positrons in the energy range from 0.01 eV to 1 MeV for atoms of Z=1-100. For electrons, hydrogen, helium, nitrogen, oxygen, krypton, and xenon, and for positrons, helium, neon, and argon atoms were considered for comparison with experimental data. First, the variationally optimized atomic static potentials were calculated for each atom by solving the Dirac equations for bound electron states. Second, the Dirac equations for a free electron or positron are solved for an atom using the previously calculated static potential accomplished (in the case of electrons) by 'adjusted' Hara's exchange potential for a free-state particle. Additional to the exchange effects, the charge cloud polarization effects are considered applying the correlation-polarization potential of O'Connell and Lane (with correction of Padial and Norcross) for incident electrons, and of Jain for incident positrons. The total, cutoff and differential elastic-scattering cross sections are calculated for incident electrons and positrons with the help of the relativistic partial wave analysis. The solid state effects for scattering in solids are described by means of a muffin-tin model, i.e. the potentials of neighboring atoms are superpositioned in such a way that the resulting potential and its derivative are zero in the middle distance between the atoms. The potential of isolated atom is calculated up to the radius at which the long-range polarization potential becomes a value of -10 -8

  3. The RPA Atomization Energy Puzzle.

    Science.gov (United States)

    Ruzsinszky, Adrienn; Perdew, John P; Csonka, Gábor I

    2010-01-12

    There is current interest in the random phase approximation (RPA), a "fifth-rung" density functional for the exchange-correlation energy. RPA has full exact exchange and constructs the correlation with the help of the unoccupied Kohn-Sham orbitals. In many cases (uniform electron gas, jellium surface, and free atom), the correction to RPA is a short-ranged effect that is captured by a local spin density approximation (LSDA) or a generalized gradient approximation (GGA). Nonempirical density functionals for the correction to RPA were constructed earlier at the LSDA and GGA levels (RPA+), but they are constructed here at the fully nonlocal level (RPA++), using the van der Waals density functional (vdW-DF) of Langreth, Lundqvist, and collaborators. While they make important and helpful corrections to RPA total and ionization energies of free atoms, they correct the RPA atomization energies of molecules by only about 1 kcal/mol. Thus, it is puzzling that RPA atomization energies are, on average, about 10 kcal/mol lower than those of accurate values from experiment. We find here that a hybrid of 50% Perdew-Burke-Ernzerhof GGA with 50% RPA+ yields atomization energies much more accurate than either one does alone. This suggests a solution to the puzzle: While the proper correction to RPA is short-ranged in some systems, its contribution to the correlation hole can spread out in a molecule with multiple atomic centers, canceling part of the spread of the exact exchange hole (more so than in RPA or RPA+), making the true exchange-correlation hole more localized than in RPA or RPA+. This effect is not captured even by the vdW-DF nonlocality, but it requires the different kind of full nonlocality present in a hybrid functional.

  4. Statistical study of defects caused by primary knock-on atoms in fcc Cu and bcc W using molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Warrier, M., E-mail: Manoj.Warrier@gmail.com [Computational Analysis Division, BARC, Visakhapatnam, Andhra Pradesh, 530012 (India); Bhardwaj, U.; Hemani, H. [Computational Analysis Division, BARC, Visakhapatnam, Andhra Pradesh, 530012 (India); Schneider, R. [Computational Science, Ernst-Moritz-Arndt University, D-17489 Greifswald (Germany); Mutzke, A. [Max-Planck-Institut für Plasmaphysik, D-17491 Greifswald (Germany); Valsakumar, M.C. [School for Engineering Sciences and Technology, University of Hyderabad, Gachibowli, Hyderabad, Telangana State, 500046 (India)

    2015-12-15

    We report on molecular Dynamics (MD) simulations carried out in fcc Cu and bcc W using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code to study (i) the statistical variations in the number of interstitials and vacancies produced by energetic primary knock-on atoms (PKA) (0.1–5 keV) directed in random directions and (ii) the in-cascade cluster size distributions. It is seen that around 60–80 random directions have to be explored for the average number of displaced atoms to become steady in the case of fcc Cu, whereas for bcc W around 50–60 random directions need to be explored. The number of Frenkel pairs produced in the MD simulations are compared with that from the Binary Collision Approximation Monte Carlo (BCA-MC) code SDTRIM-SP and the results from the NRT model. It is seen that a proper choice of the damage energy, i.e. the energy required to create a stable interstitial, is essential for the BCA-MC results to match the MD results. On the computational front it is seen that in-situ processing saves the need to input/output (I/O) atomic position data of several tera-bytes when exploring a large number of random directions and there is no difference in run-time because the extra run-time in processing data is offset by the time saved in I/O. - Highlights: • MD simulations of collision cascades in 200 random directions explored in the energy range of 1–5 keV for fcc Cu and bcc W. • 60–80 random directions must be sampled for the number of displacements produced in a collision cascade to stabilize. • In-cascade clustering of interstitials and vacancies occur. • Direction averaged distribution of interstitials and vacancies around the origin of a PKA is presented. • Comparisons with MD indicate that the recoils produced in BCA-MC simulations be checked for recombination against all vacancies created.

  5. Absolute measurement of alkaline atoms in low density jet

    International Nuclear Information System (INIS)

    Labbe, J.; Guernigou, J.

    1974-01-01

    In order to determine the neutral fraction of cesium vapor which is not ionized in the beam issuing from an ion thruster, a particular sensor was developed at ONERA. This probe, the sensibility of which is 6 10 7 atoms sec -1 was used in order to measure the variation of cesium atom flux ejected from a spherical isothermal cavity. Experiments were performed in three flow conditions caracterized by the ratio of the mean free path to the dimension of the orifice or to the diameter of the cavity. Results demonstrate that it is possible in this configuration to obtain an efflux of 5 10 13 atoms sec -1 in accordance to cosine law when the mean free path is about the diameter of the spherical cavity [fr

  6. Atomic and magnetic structure of MnF3

    International Nuclear Information System (INIS)

    Hunter, B.A.; Kennedy, B.J.; Vogt, T.

    2003-01-01

    Full text: The magnetic and atomic structure of MnF 3 has been determined from 4K to 300K using neutron powder diffraction. The MnF 3 compound is the archetypical Mn-based colossal magnetoresistive compound. A Neel temperature of approximately 40K was observed from the temperature variation of the magnetic moment. Below the Neel temperature a large negative thermal expansion was observed, in striking similarity to other Mn-based colossal magnetoresistive compounds. The variation in structure is discussed in relation to other Mn-based compounds, particularly as this compound cannot support charge ordering

  7. Using Uncertainty Principle to Find the Ground-State Energy of the Helium and a Helium-like Hookean Atom

    Science.gov (United States)

    Harbola, Varun

    2011-01-01

    In this paper, we accurately estimate the ground-state energy and the atomic radius of the helium atom and a helium-like Hookean atom by employing the uncertainty principle in conjunction with the variational approach. We show that with the use of the uncertainty principle, electrons are found to be spread over a radial region, giving an electron…

  8. Atoms

    International Nuclear Information System (INIS)

    Fuchs, Alain; Villani, Cedric; Guthleben, Denis; Leduc, Michele; Brenner, Anastasios; Pouthas, Joel; Perrin, Jean

    2014-01-01

    Completed by recent contributions on various topics (atoms and the Brownian motion, the career of Jean Perrin, the evolution of atomic physics since Jean Perrin, relationship between scientific atomism and philosophical atomism), this book is a reprint of a book published at the beginning of the twentieth century in which the author addressed the relationship between atomic theory and chemistry (molecules, atoms, the Avogadro hypothesis, molecule structures, solutes, upper limits of molecular quantities), molecular agitation (molecule velocity, molecule rotation or vibration, molecular free range), the Brownian motion and emulsions (history and general features, statistical equilibrium of emulsions), the laws of the Brownian motion (Einstein's theory, experimental control), fluctuations (the theory of Smoluchowski), light and quanta (black body, extension of quantum theory), the electricity atom, the atom genesis and destruction (transmutations, atom counting)

  9. Information Entropy Squeezing of a Two-Level Atom Interacting with Two-Mode Coherent Fields

    Institute of Scientific and Technical Information of China (English)

    LIU Xiao-Juan; FANG Mao-Fa

    2004-01-01

    From a quantum information point of view we investigate the entropy squeezing properties for a two-level atom interacting with the two-mode coherent fields via the two-photon transition. We discuss the influences of the initial state of the system on the atomic information entropy squeezing. Our results show that the squeezed component number,squeezed direction, and time of the information entropy squeezing can be controlled by choosing atomic distribution angle,the relative phase between the atom and the two-mode field, and the difference of the average photon number of the two field modes, respectively. Quantum information entropy is a remarkable precision measure for the atomic squeezing.

  10. Stochastic Growth Theory of Spatially-Averaged Distributions of Langmuir Fields in Earth's Foreshock

    Science.gov (United States)

    Boshuizen, Christopher R.; Cairns, Iver H.; Robinson, P. A.

    2001-01-01

    Langmuir-like waves in the foreshock of Earth are characteristically bursty and irregular, and are the subject of a number of recent studies. Averaged over the foreshock, it is observed that the probability distribution is power-law P(bar)(log E) in the wave field E with the bar denoting this averaging over position, In this paper it is shown that stochastic growth theory (SGT) can explain a power-law spatially-averaged distributions P(bar)(log E), when the observed power-law variations of the mean and standard deviation of log E with position are combined with the log normal statistics predicted by SGT at each location.

  11. Change in the conversion rate for the E3-isomer sup(235m)U (76,8 eV; 1/2+ → 7/2-) at variation of configurations of the valence band of the atomic shell

    International Nuclear Information System (INIS)

    Grechukhin, D.P.; Soldatov, A.A.

    1983-01-01

    In the framework of the relativistic Hartree-Fock-Slater method, a change of the conversion rate lambda for the E3 isomer (at the transition energy of h/2πω=77 eV) with respect to the rate lambda for the normal configuration of uranium atom, (7ssup(1/2)sup(2)(6dsup(3/2))sup(1)(5fsup(5/2))sup(3), is calcUlated for 14 configurations of the valence band of the atomic shell, including considerable variations of the occupation numbers in 6d, 7s, and 5f orbits. A very strong change Δlambda/lambda 1 is found to be due to variation of the occupation number for the 5f orbit (ΔN(5f) not equal to 0); the change amounts to about 8% per ΔN(5f)=+-1, that is an order of magnitude higher than Δlambda/lambda 1 due to variations of the occupation numbers for other orbits in the cases where N(5f)=const. Though the direct contribution from the 5f electrons to the conversion is very small ( 1 for ΔN(5f) not equal to 0. A rigid correlation between the partial conversion rate and the r. m. s. radius of the orbit is obtained for 6p orbits

  12. Laser induced fluorescence spectroscopy in atomic beams of radioactive nuclides

    International Nuclear Information System (INIS)

    Rebel, H.; Schatz, G.

    1982-01-01

    Measurements of the resonant scattering of light from CW tunable dye lasers, by a well collimated atomic beam, enable hyperfine splittings and optical isotope shifts to be determined with high precision and high sensitivity. Recent off-line atomic beam experiments with minute samples, comprising measurements with stable and unstable Ba, Ca and Pb isotopes are reviewed. The experimental methods and the analysis of the data are discussed. Information on the variation of the rms charge radii and on electromagnetic moments of nuclei in long isotopic chains is presented. (orig.) [de

  13. Atom-Dependent Edge-Enhanced Second-Harmonic Generation on MoS2 Monolayers.

    Science.gov (United States)

    Lin, Kuang-I; Ho, Yen-Hung; Liu, Shu-Bai; Ciou, Jian-Jhih; Huang, Bo-Ting; Chen, Christopher; Chang, Han-Ching; Tu, Chien-Liang; Chen, Chang-Hsiao

    2018-02-14

    Edge morphology and lattice orientation of single-crystal molybdenum disulfide (MoS 2 ) monolayers, a transition metal dichalcogenide (TMD), possessing a triangular shape with different edges grown by chemical vapor deposition are characterized by atomic force microscopy and transmission electron microscopy. Multiphoton laser scanning microscopy is utilized to study one-dimensional atomic edges of MoS 2 monolayers with localized midgap electronic states, which result in greatly enhanced optical second-harmonic generation (SHG). Microscopic S-zigzag edge and S-Mo Klein edge (bare Mo atoms protruding from a S-zigzag edge) terminations and the edge-atom dependent resonance energies can therefore be deduced based on SHG images. Theoretical calculations based on density functional theory clearly explain the lower energy of the S-zigzag edge states compared to the corresponding S-Mo Klein edge states. Characterization of the atomic-scale variation of edge-enhanced SHG is a step forward in this full-optical and high-yield technique of atomic-layer TMDs.

  14. Averaging processes in granular flows driven by gravity

    Science.gov (United States)

    Rossi, Giulia; Armanini, Aronne

    2016-04-01

    One of the more promising theoretical frames to analyse the two-phase granular flows is offered by the similarity of their rheology with the kinetic theory of gases [1]. Granular flows can be considered a macroscopic equivalent of the molecular case: the collisions among molecules are compared to the collisions among grains at a macroscopic scale [2,3]. However there are important statistical differences in dealing with the two applications. In the two-phase fluid mechanics, there are two main types of average: the phasic average and the mass weighed average [4]. The kinetic theories assume that the size of atoms is so small, that the number of molecules in a control volume is infinite. With this assumption, the concentration (number of particles n) doesn't change during the averaging process and the two definitions of average coincide. This hypothesis is no more true in granular flows: contrary to gases, the dimension of a single particle becomes comparable to that of the control volume. For this reason, in a single realization the number of grain is constant and the two averages coincide; on the contrary, for more than one realization, n is no more constant and the two types of average lead to different results. Therefore, the ensamble average used in the standard kinetic theory (which usually is the phasic average) is suitable for the single realization, but not for several realization, as already pointed out in [5,6]. In the literature, three main length scales have been identified [7]: the smallest is the particles size, the intermediate consists in the local averaging (in order to describe some instability phenomena or secondary circulation) and the largest arises from phenomena such as large eddies in turbulence. Our aim is to solve the intermediate scale, by applying the mass weighted average, when dealing with more than one realizations. This statistical approach leads to additional diffusive terms in the continuity equation: starting from experimental

  15. Oxidation of Ni(Pt)Si by molecular vs. atomic oxygen

    International Nuclear Information System (INIS)

    Manandhar, Sudha; Copp, Brian; Kelber, J.A.

    2008-01-01

    X-ray photoelectron spectroscopy (XPS) has been used to characterize the oxidation of a clean Ni(Pt)Si surface under two distinct conditions: exposure to a mixed flux of atomic and molecular oxygen (O + O 2 ; P O+O 2 = 5 x 10 -6 Torr) and pure molecular oxygen (O 2 ; P O 2 = 10 -5 Torr) at ambient temperatures. Formation of the clean, stoichiometric (nickel monosilicide) phase under vacuum conditions results in the formation of a surface layer enriched in PtSi. Oxidation of this surface in the presence of atomic oxygen initially results in formation of a silicon oxide overlayer. At higher exposures, kinetically limited oxidation of Pt results in Pt silicate formation. No passivation of oxygen uptake of the sample is observed for total O + O 2 exposure 4 L, at which point the average oxide/silicate overlayer thickness is 23 (3) A (uncertainty in the last digit in parentheses). In contrast, exposure of the clean Ni(Pt)Si surface to molecular oxygen only (maximum exposure: 5 x 10 5 L) results in slow growth of a silicon oxide overlayer, without silicate formation, and eventual passivation at a total average oxide thickness of 8(1) A, compared to a oxide average thickness of 17(2) A (no silicate formation) for the as-received sample (i.e., exposed to ambient.) The aggressive silicon oxidation by atomic oxygen, results in Ni-rich silicide formation in the substrate and the kinetically limited oxidation of the Pt

  16. Pattern recognition approach to quantify the atomic structure of graphene

    DEFF Research Database (Denmark)

    Kling, Jens; Vestergaard, Jacob Schack; Dahl, Anders Bjorholm

    2014-01-01

    We report a pattern recognition approach to detect the atomic structure in high-resolution transmission electron microscopy images of graphene. The approach provides quantitative information such as carbon-carbon bond lengths and bond length variations on a global and local scale alike. © 2014...

  17. A more general expression for the average X-ray diffraction intensity of crystals with an incommensurate one-dimensional modulation

    International Nuclear Information System (INIS)

    Lam, E.J.W.; Beurskens, P.T.; Smaalen, S. van

    1994-01-01

    Statistical methods are used to derive an expression for the average X-ray diffraction intensity, as a function of (sinθ)/λ, of crystals with an incommensurate one-dimensional modulation. Displacive and density modulations are considered, as well as a combination of these two. The atomic modulation functions are given by truncated Fourier series that may contain higher-order harmonics. The resulting expression for the average X-ray diffraction intensity is valid for main reflections and low-order satellite reflections. The modulation of individual atoms is taken into account by the introduction of overall modulation amplitudes. The accuracy of this expression for the average X-ray diffraction intensity is illustrated by comparison with model structures. A definition is presented for normalized structure factors of crystals with an incommensurate one-dimensional modulation that can be used in direct-methods procedures for solving the phase problem in X-ray crystallography. A numerical fitting procedure is described that can extract a scale factor, an overall temperature parameter and overall modulation amplitudes from experimental reflection intensities. (orig.)

  18. Ensemble averaged structure–function relationship for nanocrystals: effective superparamagnetic Fe clusters with catalytically active Pt skin [Ensemble averaged structure-function relationship for composite nanocrystals: magnetic bcc Fe clusters with catalytically active fcc Pt skin

    Energy Technology Data Exchange (ETDEWEB)

    Petkov, Valeri [Central Michigan University, Mt. Pleasant, MI (United States); Prasai, Binay [Central Michigan University, Mt. Pleasant, MI (United States); Shastri, Sarvjit [Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division; Park, Hyun-Uk [Sungkyunkwan University, Suwon (Korea). Department of Chemistry; Kwon, Young-Uk [Sungkyunkwan University, Suwon (Korea). Department of Chemistry; Skumryev, Vassil [Institucio Catalana de Recerca i Estudis Avançats (ICREA), Barcelona (Spain); Universitat Autònoma de Barcelona (Spain). Department of Physics

    2017-09-12

    Practical applications require the production and usage of metallic nanocrystals (NCs) in large ensembles. Besides, due to their cluster-bulk solid duality, metallic NCs exhibit a large degree of structural diversity. This poses the question as to what atomic-scale basis is to be used when the structure–function relationship for metallic NCs is to be quantified precisely. In this paper, we address the question by studying bi-functional Fe core-Pt skin type NCs optimized for practical applications. In particular, the cluster-like Fe core and skin-like Pt surface of the NCs exhibit superparamagnetic properties and a superb catalytic activity for the oxygen reduction reaction, respectively. We determine the atomic-scale structure of the NCs by non-traditional resonant high-energy X-ray diffraction coupled to atomic pair distribution function analysis. Using the experimental structure data we explain the observed magnetic and catalytic behavior of the NCs in a quantitative manner. Lastly, we demonstrate that NC ensemble-averaged 3D positions of atoms obtained by advanced X-ray scattering techniques are a very proper basis for not only establishing but also quantifying the structure–function relationship for the increasingly complex metallic NCs explored for practical applications.

  19. Molecular dynamics modeling of bonding two materials by atomic scale friction stir welding

    Science.gov (United States)

    Konovalenko S., Iv.; Konovalenko, Ig. S.; Psakhie, S. G.

    2017-12-01

    Molecular dynamics model of atomic scale friction stir welding has been developed. Formation of a butt joint between two crystallites was modeled by means of rotating rigid conical tool traveling along the butt joint line. The formed joint had an intermixed atomic structure composed of atoms initially belonged to the opposite mated piece of metal. Heat removal was modeled by adding the extra viscous force to peripheral atomic layers. This technique provides the temperature control in the tool-affected zone during welding. Auxiliary vibration action was added to the rotating tool. The model provides the variation of the tool's angular velocity, amplitude, frequency and direction of the auxiliary vibration action to provide modeling different welding modes.

  20. Portable atomic frequency standard based on coherent population trapping

    Science.gov (United States)

    Shi, Fan; Yang, Renfu; Nian, Feng; Zhang, Zhenwei; Cui, Yongshun; Zhao, Huan; Wang, Nuanrang; Feng, Keming

    2015-05-01

    In this work, a portable atomic frequency standard based on coherent population trapping is designed and demonstrated. To achieve a portable prototype, in the system, a single transverse mode 795nm VCSEL modulated by a 3.4GHz RF source is used as a pump laser which generates coherent light fields. The pump beams pass through a vapor cell containing atom gas and buffer gas. This vapor cell is surrounded by a magnetic shield and placed inside a solenoid which applies a longitudinal magnetic field to lift the Zeeman energy levels' degeneracy and to separate the resonance signal, which has no first-order magnetic field dependence, from the field-dependent resonances. The electrical control system comprises two control loops. The first one locks the laser wavelength to the minimum of the absorption spectrum; the second one locks the modulation frequency and output standard frequency. Furthermore, we designed the micro physical package and realized the locking of a coherent population trapping atomic frequency standard portable prototype successfully. The short-term frequency stability of the whole system is measured to be 6×10-11 for averaging times of 1s, and reaches 5×10-12 at an averaging time of 1000s.

  1. Production of hyperthermal hydrogen atoms by an arc discharge

    International Nuclear Information System (INIS)

    Samano, E.C.

    1993-01-01

    A magnetically confined thermal electric arc gas heater has been designed and built as a suitable source of heat for dissociating hydrogen molecules with energy in the range of a few eV. Specifically, the average beam kinetic energy is determined to be 1.5 eV, the dissociation rate is 0.5 atoms per molecule and the atom beam intensity in the forward direction is 1018 atoms/sr-sec. The working pressure in the arc discharge region is from 15 to 25 torr. This novel atom source has been successfully ignited and operated with pure hydrogen during several hours of continuous performance, maintaining its characteristics. The hyperthermal hydrogen atom beam, which is obtained from this source is analyzed and characterized in a high vacuum system, the characterization of the atom beam is accomplished by two different methods: calorimetry and surface ionization. Calorimetic sensor were used for detecting the atom beam by measuring the delivered power of the impinging atoms on the sensor surface. In the second approach an H-surface production backscattering experiment from a low work function surface was conducted. The validity of these two methods is discussed, and the results are compared. The different collision mechanisms to dissociate and ionize hydrogen molecules in the arch discharge are reviewed, as well as the physics of electric arcs. Finally, a Monte Carlo simulation program is used to calculate the ionization probability of low energy atoms perpendicularly reflected from a surface converter, as a model for atom surface ionization

  2. X-ray refractive index: A tool to determine the average composition in multilayer structures

    International Nuclear Information System (INIS)

    Miceli, P.F.; Neumann, D.A.; Zabel, H.

    1986-01-01

    We present a novel and simple method to determine the average composition of multilayers and superlattices by measuring the x-ray refractive index. Since these modulated structures exhibit Bragg reflections at small angles, by using a triple axis x-ray spectrometer we have accurately determined the peak shifts due to refraction in GaAs/Al/sub x/Ga/sub 1-x/As and Nb/Ta superlattices. Knowledge of the refractive index provides the average fractional composition of the periodic structure since the refractive index is a superposition of the refractive indices of the atomic constituents. We also present a critical discussion of the method and compare the values of the average fractional composition obtained in this manner to the values obtained from the lattice parameter change in the GaAs/Al/sub x/Ga/sub 1-x/As superlattices due to the Al

  3. Platinum clusters with precise numbers of atoms for preparative-scale catalysis.

    Science.gov (United States)

    Imaoka, Takane; Akanuma, Yuki; Haruta, Naoki; Tsuchiya, Shogo; Ishihara, Kentaro; Okayasu, Takeshi; Chun, Wang-Jae; Takahashi, Masaki; Yamamoto, Kimihisa

    2017-09-25

    Subnanometer noble metal clusters have enormous potential, mainly for catalytic applications. Because a difference of only one atom may cause significant changes in their reactivity, a preparation method with atomic-level precision is essential. Although such a precision with enough scalability has been achieved by gas-phase synthesis, large-scale preparation is still at the frontier, hampering practical applications. We now show the atom-precise and fully scalable synthesis of platinum clusters on a milligram scale from tiara-like platinum complexes with various ring numbers (n = 5-13). Low-temperature calcination of the complexes on a carbon support under hydrogen stream affords monodispersed platinum clusters, whose atomicity is equivalent to that of the precursor complex. One of the clusters (Pt 10 ) exhibits high catalytic activity in the hydrogenation of styrene compared to that of the other clusters. This method opens an avenue for the application of these clusters to preparative-scale catalysis.The catalytic activity of a noble metal nanocluster is tied to its atomicity. Here, the authors report an atom-precise, fully scalable synthesis of platinum clusters from molecular ring precursors, and show that a variation of only one atom can dramatically change a cluster's reactivity.

  4. The atomic hypothesis: physical consequences

    International Nuclear Information System (INIS)

    Rivas, Martin

    2008-01-01

    The hypothesis that matter is made of some ultimate and indivisible objects, together with the restricted relativity principle, establishes a constraint on the kind of variables we are allowed to use for the variational description of elementary particles. We consider that the atomic hypothesis not only states the indivisibility of elementary particles, but also that these ultimate objects, if not annihilated, cannot be modified by any interaction so that all allowed states of an elementary particle are only kinematical modifications of any one of them. Therefore, an elementary particle cannot have excited states. In this way, the kinematical group of spacetime symmetries not only defines the symmetries of the system, but also the variables in terms of which the mathematical description of the elementary particles can be expressed in either the classical or the quantum mechanical description. When considering the interaction of two Dirac particles, the atomic hypothesis restricts the interaction Lagrangian to a kind of minimal coupling interaction

  5. Single-atom lasing induced atomic self-trapping

    International Nuclear Information System (INIS)

    Salzburger, T.; Ritsch, H.

    2004-01-01

    We study atomic center of mass motion and field dynamics of a single-atom laser consisting of a single incoherently pumped free atom moving in an optical high-Q resonator. For sufficient pumping, the system starts lasing whenever the atom is close to a field antinode. If the field mode eigenfrequency is larger than the atomic transition frequency, the generated laser light attracts the atom to the field antinode and cools its motion. Using quantum Monte Carlo wave function simulations, we investigate this coupled atom-field dynamics including photon recoil and cavity decay. In the regime of strong coupling, the generated field shows strong nonclassical features like photon antibunching, and the atom is spatially confined and cooled to sub-Doppler temperatures. (author)

  6. Ultracold atoms on atom chips

    DEFF Research Database (Denmark)

    Krüger, Peter; Hofferberth, S.; Haller, E.

    2005-01-01

    Miniaturized potentials near the surface of atom chips can be used as flexible and versatile tools for the manipulation of ultracold atoms on a microscale. The full scope of possibilities is only accessible if atom-surface distances can be reduced to microns. We discuss experiments in this regime...

  7. Eulerian Multiphase Population Balance Model of Atomizing, Swirling Flows

    Directory of Open Access Journals (Sweden)

    Narayana P. Rayapati

    2011-06-01

    Full Text Available An Eulerian/Eulerian multiphase flow model coupled with a population balance model is used as the basis for numerical simulation of atomization in swirling flows. The objective of this exercise is to develop a methodology capable of predicting the local point-wise drop size distribution in a spray, such as would be measured by the Phase Doppler Particle Analyzer (PDA. Model predictions are compared to experimental measurements of particle size distributions in an air-blast atomizer spray to demonstrate good qualitative and quantitative agreement. It is observed that the dependence of velocity on drop size inherent in a multiphase description of the drop cloud appears necessary to capture some features of the experimental data. Using this model, we demonstrate the relative contributions of secondary atomization and transport to the variation observed in the downstream spray drop size distribution.

  8. Jump Variation Estimation with Noisy High Frequency Financial Data via Wavelets

    Directory of Open Access Journals (Sweden)

    Xin Zhang

    2016-08-01

    Full Text Available This paper develops a method to improve the estimation of jump variation using high frequency data with the existence of market microstructure noises. Accurate estimation of jump variation is in high demand, as it is an important component of volatility in finance for portfolio allocation, derivative pricing and risk management. The method has a two-step procedure with detection and estimation. In Step 1, we detect the jump locations by performing wavelet transformation on the observed noisy price processes. Since wavelet coefficients are significantly larger at the jump locations than the others, we calibrate the wavelet coefficients through a threshold and declare jump points if the absolute wavelet coefficients exceed the threshold. In Step 2 we estimate the jump variation by averaging noisy price processes at each side of a declared jump point and then taking the difference between the two averages of the jump point. Specifically, for each jump location detected in Step 1, we get two averages from the observed noisy price processes, one before the detected jump location and one after it, and then take their difference to estimate the jump variation. Theoretically, we show that the two-step procedure based on average realized volatility processes can achieve a convergence rate close to O P ( n − 4 / 9 , which is better than the convergence rate O P ( n − 1 / 4 for the procedure based on the original noisy process, where n is the sample size. Numerically, the method based on average realized volatility processes indeed performs better than that based on the price processes. Empirically, we study the distribution of jump variation using Dow Jones Industrial Average stocks and compare the results using the original price process and the average realized volatility processes.

  9. Improvement of an Atomic Clock using Squeezed Vacuum

    DEFF Research Database (Denmark)

    Kruse, I.; Lange, K; Peise, Jan

    2016-01-01

    , the vacuum noise restricts the precision of the interferometer to the standard quantum limit (SQL). Here, we propose and experimentally demonstrate a novel clock configuration that surpasses the SQL by squeezing the vacuum in the empty input state. We create a squeezed vacuum state containing an average of 0.......75 atoms to improve the clock sensitivity of 10000 atoms by 2.05+0.34−0.37  dB. The SQL poses a significant limitation for today’s microwave fountain clocks, which serve as the main time reference. We evaluate the major technical limitations and challenges for devising a next generation of fountain clocks...

  10. A study of the imaging of atomic elements by computerised axial tomography

    OpenAIRE

    McCarthy, K. J

    1989-01-01

    Conventional computerized axial tomography images show the spatial variation in the linear attenuation coefficient in a cross-section of a specimen. However, no information is present to enable one to predict the location nor concentration of an atomic element in the image. Differential X-ray absorptiometry is a well established analytic technique for determining the concentration of an atomic element in a specimen. In this thesis, it is shown that by applying differential X-ray absorpt...

  11. Multi-configurational explicitly correlated wave functions for the study of confined many electron atoms

    International Nuclear Information System (INIS)

    Sarsa, A; Buendía, E; Gálvez, F J

    2016-01-01

    Explicitly correlated wave functions to study confined atoms under impenetrable spherical walls have been obtained. Configuration mixing and a correlation factor are included in the variational ansatz. The behaviors of the ground state and some low-lying excited states of He, Be, B and C atoms with the confinement size are analyzed. Level crossing with confinement is found for some cases. This effect is analyzed in terms of the single particle energy of the occupied orbitals. The multi-configuration parameterized optimized effective potential method is employed with a cut-off factor to account for Dirichlet boundary conditions. The variational Monte Carlo method is used to deal with explicitly correlated wave functions. (paper)

  12. Continuous atom laser with Bose-Einstein condensates involving three-body interactions

    Energy Technology Data Exchange (ETDEWEB)

    Carpentier, A V; Michinel, H; Novoa, D [Area de Optica, Facultade de Ciencias de Ourense, Universidade de Vigo, As Lagoas s/n, Ourense, ES-32004 (Spain); Olivieri, D N, E-mail: avcarpentier@uvigo.e [Area de Linguaxes e sistemas informaticos, Escola Superior de EnxenerIa Informatica, Universidade de Vigo, As Lagoas s/n, Ourense, ES-32004 (Spain)

    2010-05-28

    We demonstrate, through numerical simulations, the emission of a coherent continuous matter wave of constant amplitude from a Bose-Einstein condensate in a shallow optical dipole trap. The process is achieved by spatial control of the variations of the scattering length along the trapping axis, including elastic three-body interactions due to dipole interactions. In our approach, the outcoupling mechanism is atomic interactions, and thus, the trap remains unaltered. We calculate analytically the parameters for the experimental implementation of this continuous wave atom laser.

  13. Wavefunction and energy of the 1s22sns configuration in a beryllium atom

    International Nuclear Information System (INIS)

    Huang Shizhong; Ma Kun; Yu Jiaming; Liu Fen

    2008-01-01

    A new set of trial functions for 1s 2 2sns configurations in a beryllium atom is suggested. A Mathematica program based on the variational method is developed to calculate the wavefunctions and energies of 1s 2 2sns (n = 3–6) configurations in a beryllium atom. Non-relativistic energy, polarization correction and relativistic correction which include mass correction, one-and two-body Darwin corrections, spin-spin contact interaction and orbit-orbit interaction, are calculated respectively. The results are in good agreement with experimental data. (atomic and molecular physics)

  14. Complete all-atom hydrodynamics of protein unfolding in uniform flow

    International Nuclear Information System (INIS)

    Wang, Guan M; Sandberg, William C

    2010-01-01

    The unfolding dynamics of a protein, ubiquitin, pinned in several uniform flows, was studied at low and high flow rates in an all-atom style through a non-equilibrium molecular dynamics approach with explicit water molecules included. Atomic hydrodynamic force components on individual amino acids, as a function of time, due to the collisional interactions with the flowing water molecules were calculated explicitly. The protein conformational change in response to those time-varying forces was computed completely at the high flow rate up to nanosecond until the fully stretched state was reached. The end-to-end length of the single ubiquitin protein molecule at high flow rate is smoothly increasing. The step-like jumps between metastable states that describe the μm ms -1 scale force pulling experiments conducted on polyubiquitins at low flow rates, are not seen at the high flow speeds necessary to computationally probe the ns nm -1 scale regime. No unfolding was observed in the low flow rate atomic computations at nanosecond scale while partial and complete unfolding was observed in the coarse-grained low flow rate computations at microsecond scale. Examination of the all-atom computation of the time variation of the hydrodynamic forces on, and the velocity components of, the protein molecule unveiled to some extent the details of the complexity of the hydrodynamic friction variation in the nm ns -1 regime of high rate flow-driven protein unfolding. This demonstrates quantitatively that all-atom computations are more suitable than the Langevin equation or Brownian dynamics methods for probing the interaction dynamics and resulting conformational dynamics of protein unfolding in strong flows on nm ns -1 time/length scales while the reverse is true for investigation of slow, diffusively driven systems.

  15. Atomic stopping-power problems encountered in measurements of nuclear γ-ray lifetimes by the Doppler-shift-attenuation method

    International Nuclear Information System (INIS)

    Latta, B.M.; Scanlon, P.J.

    1976-01-01

    The value of the nuclear lifetime of the 3.34-MeV level in 22 Ne as determined by Broude et al. by the Doppler shift attenuation method exhibits variations depending on the atomic number Z 2 of the slowing down medium. The lifetime has been re-evaluated within the framework of the Lindhard-Winther stopping theory, assuming a simple approximate form for the density of electrons associated with an atom in a solid and an effective point charge for the projectile based on experimental stopping powers. Although there are still variations in the value of the lifetime the variations appear to be systematic through the region of the transition elements. (Auth.)

  16. Radon and radon daughters indoors, problems in the determination of the annual average

    International Nuclear Information System (INIS)

    Swedjemark, G.A.

    1984-01-01

    The annual average of the concentration of radon and radon daughters in indoor air is required both in studies such as determining the collective dose to a population and at comparing with limits. Measurements are often carried out during a time period shorter than a year for practical reasons. Methods for estimating the uncertainties due to temporal variations in an annual average calculated from measurements carried out during various lengths of the sampling periods. These methods have been applied to the results from long-term measurements of radon-222 in a few houses. The possibilities to use correction factors in order to get a more adequate annual average have also been studied and some examples have been given. (orig.)

  17. The use of averages and other summation quantities in the testing of evaluated fission product yield and decay data. Applications to ENDF/B(IV)

    International Nuclear Information System (INIS)

    Walker, W.H.

    1976-01-01

    Averages of some fission product properties can be obtained by multiplying the fission product yield for each fission product by the value of the property (e.g. mass, atomic number, mass defect) for that fission product and summing all significant contributions. These averages can be used to test the reliability of the yield set or provide useful data for reactor calculations. The report gives the derivation of these averages and discusses their application using the ENDF/B(IV) fission product library. The following quantities are treated here: the number of fission products per fission ΣYsub(i); the average mass number and the average number of neutrons per fission; the average atomic number of the stable fission products and the average number of β-decays per fission; the average mass defect of the stable fission products and the total energy release per fission; the average decay energy per fission (beta, gamma and anti-neutrino); the average β-decay energy per fission; individual and group-averaged delayed neutron emission; the total yield for each fission product element. Wherever it is meaningful to do so, a sum is subdivided into its light and heavy mass components. The most significant differences between calculated values based on ENDF/B(IV) and measurements are the β and γ decay energies for 235 U thermal fission and delayed neutron yields for other fissile nuclides, most notably 238 U. (author)

  18. Factors affecting yearly variations of indoor radon concentrations

    International Nuclear Information System (INIS)

    Steck, D.J.; Baynes, S.A.

    1996-01-01

    Since indoor radon exposures take place over many years while radon measurement periods are shorter, we are studying the yearly variation of indoor radon concentrations in approximately 100 houses located throughout Minnesota. Most houses were initially measured for one or more years in the late 1980's and for 5 consecutive years starting in 1990. Two houses have been monitored for 12 y. Each year, two alpha track detectors were placed on the two lowest livable levels. The year-to-year variations averaged about 35% (corrected for instrumental uncertainties) in both basements and first floors. The minimum observed variation was 5% and the maximum was 130%. Some homes have shown substantial variation associated with Structural modifications. While most homes show no obvious systematic trends, a few houses have shown temporal trends that may be associated with aging or climate. We are studying possible correlation between year-to-year radon variation, climatic variables (yearly-average and seasonal such as heating/cooling degree days, precipitation, soil moisture), and structural changes

  19. Chemical potential of molecules contrasted to averaged atomic electronegativities: alarming differences and their theoretical rationalization.

    Science.gov (United States)

    Datta, Dipankar; Shee, Nirmal K; von Szentpály, László

    2013-01-10

    We present the first large-scale empirical examination of the relation of molecular chemical potentials, μ(0)(mol) = -½(I(0) + A(0))(mol), to the geometric mean (GM) of atomic electronegativities, (GM) = (GM), and demonstrate that μ(0)(mol) ≠ -(GM). Out of 210 molecular μ(0)(mol)values considered more than 150 are not even in the range min{μ(0)(at)} (GM). For this equation the root-mean-square of relative errors amounts to SE = 71%. Our results are at strong variance with Sanderson's electronegativity equalization principle and present a challenge to some popular practice in conceptual density functional theory (DFT). The influences of the "external" potential and charge dependent covalent and ionic binding contributions are discussed and provide the theoretical rationalization for the empirical facts. Support is given to the warnings by Hinze, Bader et al., Allen, and Politzer et al. that equating the chemical potential to the negative of electronegativity may lead to misconceptions.

  20. Gender Variations in the Effects of Number of Organizational Memberships, Number of Social Networking Sites, and Grade-Point Average on Global Social Responsibility in Filipino University Students

    Directory of Open Access Journals (Sweden)

    Romeo B. Lee

    2016-02-01

    Full Text Available The study seeks to estimate gender variations in the direct effects of (a number of organizational memberships, (b number of social networking sites (SNS, and (c grade-point average (GPA on global social responsibility (GSR; and in the indirect effects of (a and of (b through (c on GSR. Cross-sectional survey data were drawn from questionnaire interviews involving 3,173 Filipino university students. Based on a path model, the three factors were tested to determine their inter-relationships and their relationships with GSR. The direct and total effects of the exogenous factors on the dependent variable are statistically significantly robust. The indirect effects of organizational memberships on GSR through GPA are also statistically significant, but the indirect effects of SNS on GSR through GPA are marginal. Men and women significantly differ only in terms of the total effects of their organizational memberships on GSR. The lack of broad gender variations in the effects of SNS, organizational memberships and GPA on GSR may be linked to the relatively homogenous characteristics and experiences of the university students interviewed. There is a need for more path models to better understand the predictors of GSR in local students.

  1. Gender Variations in the Effects of Number of Organizational Memberships, Number of Social Networking Sites, and Grade-Point Average on Global Social Responsibility in Filipino University Students

    Science.gov (United States)

    Lee, Romeo B.; Baring, Rito V.; Sta. Maria, Madelene A.

    2016-01-01

    The study seeks to estimate gender variations in the direct effects of (a) number of organizational memberships, (b) number of social networking sites (SNS), and (c) grade-point average (GPA) on global social responsibility (GSR); and in the indirect effects of (a) and of (b) through (c) on GSR. Cross-sectional survey data were drawn from questionnaire interviews involving 3,173 Filipino university students. Based on a path model, the three factors were tested to determine their inter-relationships and their relationships with GSR. The direct and total effects of the exogenous factors on the dependent variable are statistically significantly robust. The indirect effects of organizational memberships on GSR through GPA are also statistically significant, but the indirect effects of SNS on GSR through GPA are marginal. Men and women significantly differ only in terms of the total effects of their organizational memberships on GSR. The lack of broad gender variations in the effects of SNS, organizational memberships and GPA on GSR may be linked to the relatively homogenous characteristics and experiences of the university students interviewed. There is a need for more path models to better understand the predictors of GSR in local students. PMID:27247700

  2. Gender Variations in the Effects of Number of Organizational Memberships, Number of Social Networking Sites, and Grade-Point Average on Global Social Responsibility in Filipino University Students.

    Science.gov (United States)

    Lee, Romeo B; Baring, Rito V; Sta Maria, Madelene A

    2016-02-01

    The study seeks to estimate gender variations in the direct effects of (a) number of organizational memberships, (b) number of social networking sites (SNS), and (c) grade-point average (GPA) on global social responsibility (GSR); and in the indirect effects of (a) and of (b) through (c) on GSR. Cross-sectional survey data were drawn from questionnaire interviews involving 3,173 Filipino university students. Based on a path model, the three factors were tested to determine their inter-relationships and their relationships with GSR. The direct and total effects of the exogenous factors on the dependent variable are statistically significantly robust. The indirect effects of organizational memberships on GSR through GPA are also statistically significant, but the indirect effects of SNS on GSR through GPA are marginal. Men and women significantly differ only in terms of the total effects of their organizational memberships on GSR. The lack of broad gender variations in the effects of SNS, organizational memberships and GPA on GSR may be linked to the relatively homogenous characteristics and experiences of the university students interviewed. There is a need for more path models to better understand the predictors of GSR in local students.

  3. Theoretical study of electromagnetically induced transparency in a five-level atom and application to Doppler-broadened and Doppler-free Rb atoms

    International Nuclear Information System (INIS)

    Bhattacharyya, Dipankar; Ray, Biswajit; Ghosh, Pradip N

    2007-01-01

    We report theoretical studies of a Λ-type five-level atomic system. The density matrix equations are set up and solved numerically to obtain the probe absorption line shape of Rb D 2 transitions for cold (Doppler-free) and room temperature (Doppler-broadened) atoms. Simulated spectra for Doppler-broadened systems lead to four velocity-selective dips along with an electromagnetic induced transparency (EIT) peak as observed earlier from the co-propagating pump-probe spectroscopy of Rb D 2 transitions. Effects of pump power and spontaneous decay rate from the upper levels on the simulated spectra are also studied. For cold atoms a very pronounced EIT peak is observed when the pump frequency is on resonance with one allowed transition. We find that lower pump power leads to a much sharper EIT signal in this case. A simulated dispersion curve shows a rapid variation of the refractive index that may lead to a sharp reduction of the group velocity of photons

  4. Continuous parametric feedback cooling of a single atom in an optical cavity

    Science.gov (United States)

    Sames, C.; Hamsen, C.; Chibani, H.; Altin, P. A.; Wilk, T.; Rempe, G.

    2018-05-01

    We demonstrate a feedback algorithm to cool a single neutral atom trapped inside a standing-wave optical cavity. The algorithm is based on parametric modulation of the confining potential at twice the natural oscillation frequency of the atom, in combination with fast and repetitive atomic position measurements. The latter serve to continuously adjust the modulation phase to a value for which parametric excitation of the atomic motion is avoided. Cooling is limited by the measurement backaction which decoheres the atomic motion after only a few oscillations. Nonetheless, applying this feedback scheme to an ˜5 -kHz oscillation mode increases the average storage time of a single atom in the cavity by a factor of 60 to more than 2 s. In contrast to previous feedback schemes, our algorithm is also capable of cooling a much faster ˜500 -kHz oscillation mode within just microseconds. This demonstrates that parametric cooling is a powerful technique that can be applied in all experiments where optical access is limited.

  5. 2D-PES/XAS method for atomic-layer-resolved magnetic structure analysis

    International Nuclear Information System (INIS)

    Matsui, F.; Daimon, H.; Matsushita, T.; Guo, F.Z.

    2008-01-01

    Photoelectron and Auger electron angular distributions from a localized core level provide information on atomic configurations. Forward-focusing peaks indicate the directions of atoms surrounding the excited atom. X-ray absorption fine structure and X-ray magnetic circular dichroism measurements by Auger electron yield detection on the other hand are excellent methods for studying of the electronic and magnetic structures of surfaces, adsorbates, and thin films. However, all the information from atoms within the electron mean-free-path region is averaged into the obtained spectra. Here, we introduce a new method of X-ray absorption spectroscopy (XAS) combined with measurements of Auger electron angular distribution using a display-type analyzer. Taking advantage of the forward-focusing peak as an excellent element- and site-selective probe, 2D-XAS enables direct access to the individual electronic and magnetic structures of each atomic layer. This method was applied to studying the electronic and magnetic structures of Ni thin film at atomic level. (author)

  6. A new type of exact arbitrarily inhomogeneous cosmology: evolution of deceleration in the flat homogeneous-on-average case

    Energy Technology Data Exchange (ETDEWEB)

    Hellaby, Charles, E-mail: Charles.Hellaby@uct.ac.za [Dept. of Maths. and Applied Maths, University of Cape Town, Rondebosch, 7701 (South Africa)

    2012-01-01

    A new method for constructing exact inhomogeneous universes is presented, that allows variation in 3 dimensions. The resulting spacetime may be statistically uniform on average, or have random, non-repeating variation. The construction utilises the Darmois junction conditions to join many different component spacetime regions. In the initial simple example given, the component parts are spatially flat and uniform, but much more general combinations should be possible. Further inhomogeneity may be added via swiss cheese vacuoles and inhomogeneous metrics. This model is used to explore the proposal, that observers are located in bound, non-expanding regions, while the universe is actually in the process of becoming void dominated, and thus its average expansion rate is increasing. The model confirms qualitatively that the faster expanding components come to dominate the average, and that inhomogeneity results in average parameters which evolve differently from those of any one component, but more realistic modelling of the effect will need this construction to be generalised.

  7. Motion of Rydberg atoms with strong permanent-electric-dipole interactions

    International Nuclear Information System (INIS)

    Gonçalves, Luís Felipe; Thaicharoen, Nithiwadee; Raithel, Georg

    2016-01-01

    Using classical trajectories simulations, we investigate the dynamics of a cold sample of Rydberg atoms with high permanent electric dipole moments. The dipolar state can be created using an adiabatic passage through an avoided crossing between an S-like state and a linear Stark state. The simulations yield the pair-correlation functions (PCF) of the atom samples, which allow us to extract the motion of Rydberg-atom pairs in the many-body system. The results reveal the strength and the anisotropic character of the underlying interaction. The simulation is employed to test the suitability of experimental methods designed to derive interaction parameters from PCF. Insight is obtained about the stability of the method against variation of experimentally relevant parameters. Transient correlations due to interaction-induced heating are observed. (paper)

  8. State Averages

    Data.gov (United States)

    U.S. Department of Health & Human Services — A list of a variety of averages for each state or territory as well as the national average, including each quality measure, staffing, fine amount and number of...

  9. Studies of photoionization processes from ground-state and excited-state atoms and molecules

    International Nuclear Information System (INIS)

    Ederer, D.L.; Parr, A.C.; West, J.B.

    1982-01-01

    Recent triply-differential photoelectron spectroscopy experiments designed for the study of correlation effects in atoms and molecules are described. Final-state symmetry of the n=2 state of helium has been determined. The non-Franck-Condon behavior of vibrational branching ratios and large variations of the angular asymmetry parameter has been observed for shape resonances and autoionizing resonances in CO and other molecules. Recent observations of the photoionization of excited sodium atoms are also described

  10. On-line data processing apparatus for spectroscopic measurements of atomic uranium

    International Nuclear Information System (INIS)

    Miron, E.; Levin, L.A.; Erez, G; Baumatz, D; Goren, I.; Shpancer, I.

    1977-01-01

    A computer-based apparatus for on-line spectroscopic measurements of atomic uranium is described. The system is capable of enhancing the signal-to-noise ratio by averaging, and performing calculations. Computation flow charts and programs are included

  11. 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

  12. Solar cycle variations in IMF intensity

    International Nuclear Information System (INIS)

    King, J.H.

    1979-01-01

    Annual averages of logarithms of hourly interplanetary magnetic field (IMF) intensities, obtained from geocentric spacecraft between November 1963 and December 1977, reveal the following solar cycle variation. For 2--3 years at each solar minimum period, the IMF intensity is depressed by 10--15% relative to its mean value realized during a broad 9-year period contered at solar maximum. No systematic variations occur during this 9-year period. The solar minimum decrease, although small in relation to variations in some other solar wind parameters, is both statistically and physically significant

  13. Application of average adult Japanese voxel phantoms to evaluation of photon specific absorbed fractions

    International Nuclear Information System (INIS)

    Sato, Kaoru; Manabe, Kentaro; Endo, Akira

    2012-01-01

    Average adult Japanese male (JM-103) and female (JF-103) voxel (volume pixel) phantoms newly constructed at the Japan Atomic Energy Agency (JAEA) have average characteristics of body sizes and organ masses in adult Japanese. In JM-103 and JF-103, several organs and tissues were newly modeled for dose assessments based on tissue weighting factors of the 2007 Recommendations of the International Commission on Radiological Protection(ICRP). In this study, SAFs for thyroid, stomach, lungs and lymphatic nodes of JM-103 and JF-103 phantoms were calculated, and were compared with those of other adult Japanese phantoms based on individual medical images. In most cases, differences in SAFs between JM-103, JF-103 and other phantoms were about several tens percent, and was mainly attributed to mass differences of organs, tissues and contents. Therefore, it was concluded that SAFs of JM-103 and JF-103 represent those of average adult Japanese and that the two phantoms are applied to dose assessment for average adult Japanese on the basis of the 2007 Recommendations. (author)

  14. Controllable irregular melting induced by atomic segregation in bimetallic clusters with fabricating different initial configurations

    International Nuclear Information System (INIS)

    Li Guojian; Liu Tie; Wang Qiang; Lue Xiao; Wang Kai; He Jicheng

    2010-01-01

    The melting process of Co, Co-Cu and Co-Ni clusters with different initial configurations is studied in molecular dynamics by a general embedded atom method. An irregular melting, at which energy decreases as the temperature increase near the melting point, is found in the onion-like Co-Cu-Co clusters, but not in the mixed Co-Cu and onion-like Co-Ni-Co clusters. From the analysis of atomic distributions and energy variation, the results indicate the irregular melting is induced by Cu atomic segregation. Furthermore, this melting can be controlled by doping hetero atoms with different surface energies and controlling their distributions.

  15. Variational method for inverting the Kohn-Sham procedure

    International Nuclear Information System (INIS)

    Kadantsev, Eugene S.; Stott, M.J.

    2004-01-01

    A procedure based on a variational principle is developed for determining the local Kohn-Sham (KS) potential corresponding to a given ground-state electron density. This procedure is applied to calculate the exchange-correlation part of the effective Kohn-Sham (KS) potential for the neon atom and the methane molecule

  16. Atomic collisions related to atomic laser isotope separation

    International Nuclear Information System (INIS)

    Shibata, Takemasa

    1995-01-01

    Atomic collisions are important in various places in atomic vapor laser isotope separation (AVLIS). At a vaporization zone, many atomic collisions due to high density have influence on the atomic beam characteristics such as velocity distribution and metastable states' populations at a separation zone. In the separation zone, a symmetric charge transfer between the produced ions and the neutral atoms may degrade selectivity. We have measured atomic excitation temperatures of atomic beams and symmetric charge transfer cross sections for gadolinium and neodymium. Gadolinium and neodymium are both lanthanides. Nevertheless, results for gadolinium and neodymium are very different. The gadolinium atom has one 5d electron and neodymium atom has no 5d electron. It is considered that the differences are due to existence of 5d electron. (author)

  17. Variations of extreme rainfall in space and time

    DEFF Research Database (Denmark)

    Gregersen, Ida Bülow; Madsen, H.; Rosbjerg, Dan

    2012-01-01

    variation, whereas annual variations are related to changes in the average Danish summer precipitation, the average Danish summer temperature and the East Atlantic pattern. The spatio-temporal Poisson regression model was found to be a helpful tool when comparing the internal importance of these variables......In the ongoing climate change discussion, methods for identification of variability governed by climate change are important tools. The magnitude of variables that can describe this variability should be compared with magnitudes of variables describing variability in a stationary setting....... This study focuses on variations of extreme rainfall events, observed at 70 different locations in Denmark over a period of 31 years. The aim is to identify and compare variables, both spatially and temporally, which can explain different parts of the variability in this data set. Assuming that the number...

  18. Superradiators created atom by atom

    Science.gov (United States)

    Meschede, Dieter

    2018-02-01

    High radiation rates are usually associated with macroscopic lasers. Laser radiation is “coherent”—its amplitude and phase are well-defined—but its generation requires energy inputs to overcome loss. Excited atoms spontaneously emit in a random and incoherent fashion, and for N such atoms, the emission rate simply increases as N. However, if these atoms are in close proximity and coherently coupled by a radiation field, this microscopic ensemble acts as a single emitter whose emission rate increases as N2 and becomes “superradiant,” to use Dicke's terminology (1). On page 662 of this issue, Kim et al. (2) show the buildup of coherent light fields through collective emission from atomic radiators injected one by one into a resonator field. There is only one atom ever in the cavity, but the emission is still collective and superradiant. These results suggest another route toward thresholdless lasing.

  19. Theory of the time orbiting potential (TOP) quadrupole magnetic trap for cold atoms

    Energy Technology Data Exchange (ETDEWEB)

    Minogin, V.G.; Richmond, J.A.; Opat, G.I.

    1997-12-31

    An analytical theory of the time orbiting potential (TOP) quadrupole magnetic trap for cold atoms is developed. It is shown that the rotating magnetic filed used to create the time-average harmonic potential is responsible for the formation of quasi-energy states of an atom in the trap. It is found that the motion of an atom near the origin of the trap can be represented as consisting of slow motion in the effective potential and fast oscillations with small amplitude. Dipole, quadrupole and higher order atomic transitions between quasi-energy states are shown to be responsible for an additional effective potential for slow atomic motion which is proportional to the fourth power of the atomic co-ordinate. Eigenstates and eigenfunctions are used to calculate the co-ordinate distribution for a single atom. It is concluded that at low temperature the quantum statistical co-ordinate distribution for a single atom exhibits a narrow central peak due to the ground state population, together with relatively broad wings due to the excited state population. (authors). 20 refs., 1 tab., 6 figs.

  20. Atomic diffusion theory challenging the Cahn-Hilliard method

    International Nuclear Information System (INIS)

    Nastar, M.

    2014-01-01

    Our development of the self-consistent mean-field (SCMF) kinetic theory for nonuniform alloys leads to the statement that kinetic correlations induced by the vacancy diffusion mechanism have a dramatic effect on nano-scale diffusion phenomena, leading to nonlinear features of the interdiffusion coefficients. Lattice rate equations of alloys including nonuniform gradients of chemical potential are derived within the Bragg-Williams statistical approximation and the third shell kinetic approximation of the SCMF theory. General driving forces including deviations of the free energy from a local equilibrium thermodynamic formulation are introduced. These deviations are related to the variation of vacancy motion due to the spatial variation of the alloy composition. During the characteristic time of atomic diffusion, multiple exchanges of the vacancy with the same atoms may happen, inducing atomic kinetic correlations that depend as well on the spatial variation of the alloy composition. As long as the diffusion driving forces are uniform, the rate equations are shown to obey in this form the Onsager formalism of thermodynamics of irreversible processes (TIP) and the TIP-based Cahn-Hilliard diffusion equation. If now the chemical potential gradients are not uniform, the continuous limit of the present SCMF kinetic equations does not coincide with the Cahn-Hilliard (CH) equation. In particular, the composition gradient and higher derivative terms depending on kinetic parameters add to the CH thermodynamic-based composition gradient term. Indeed, a diffusion equation written as a mobility multiplied by a thermodynamic formulation of the driving forces is shown to be inadequate. In the reciprocal space, the thermodynamic driving force has to be multiplied by a nonlinear function of the wave vector accounting for the variation of kinetic correlations with composition inhomogeneities. Analytical expressions of the effective interdiffusion coefficient are given for two limit

  1. New sources of cold atoms for atomic clocks

    International Nuclear Information System (INIS)

    Aucouturier, E.

    1997-01-01

    The purpose of this doctoral work is the realisation of new sources of cold cesium atoms that could be useful for the conception of a compact and high-performance atomic clock. It is based on experiences of atomic physics using light induced atomic manipulation. We present here the experiences of radiative cooling of atoms that have been realised at the Laboratoire de l'Horloge Atomique from 1993 to 1996. Firstly, we applied the techniques of radiative cooling and trapping of atoms in order to create a three-dimensional magneto-optical trap. For this first experience, we developed high quality laser sources, that were used for other experiments. We imagined a new configuration of trapping (two-dimensional magneto-optical trap) that was the basis for a cold atom source. This design gives the atoms a possibility to escape towards one particular direction. Then, we have extracted the atoms from this anisotropic trap in order to create a continuous beam of cold atoms. We have applied three methods of extraction. Firstly, the launching of atoms was performed by reducing the intensity of one of the cooling laser beams in the desired launching direction. Secondly, a frequency detuning between the two laser laser beams produced the launching of atoms by a so-called 'moving molasses'. The third method consisted in applying a static magnetic field that induced the launching of atoms in the direction of this magnetic field. At the same time, another research on cold atoms was initiated at the I.H.A. It consisted in cooling a large volume of atoms from a cell, using an isotropic light. This offers an interesting alternative to the traditional optical molasses. (author)

  2. Laser-induced charge exchange in ion-atom collisions

    International Nuclear Information System (INIS)

    Riera, A.

    1986-01-01

    The theory of laser-induced charge transfer (LICT) in ion-atom collisions is presented for the range of impact energies in which a quasimolecular description is appropriate. For each relative orientation of the AC field, LICT cross sections can be obtained with trivial modifications of standard programs. Simpler, perturbative expressions for the orientation-averaged cross sections are accurate for I v -1 6 W s cm -3 , and the analytical Landau-Zener perturbative expression often provides good estimates for these cross sections. The practical advantages of the dressed state formalism as an alternative approach are critically examined, and the general characteristics of LICT cross sections in multicharged ion-atom collisions are shown with the help of an example. (Auth.)

  3. Analysis of atomic distribution in as-fabricated Zircaloy-2 claddings by atom probe tomography under high-energy pulsed laser

    Energy Technology Data Exchange (ETDEWEB)

    Sawabe, T., E-mail: sawabe@criepi.denken.or.jp [Central Research Institute of Electric Power Industry (CRIEPI), Iwado Kita 2-11-1, Komae, Tokyo 201-8511 (Japan); Sonoda, T.; Kitajima, S. [Central Research Institute of Electric Power Industry (CRIEPI), Iwado Kita 2-11-1, Komae, Tokyo 201-8511 (Japan); Kameyama, T. [Tokai University, Department of Nuclear Engineering, Kitakaname 4-1-1, Hiratsuka, Kanagawa 259-1292 (Japan)

    2013-11-15

    The properties of second-phase particles (SPPs) in Zircaloy-2 claddings are key factors influencing the corrosion resistance of the alloy. The chemical compositions of Zr (Fe, Cr){sub 2} and Zr{sub 2}(Fe, Ni) SPPs were investigated by means of pulsed laser atom probe tomography. In order to prevent specimen fracture and to analyse wide regions of the specimen, the pulsed laser energy was increased to 2.0 nJ. This gave a high yield of average of 3 × 10{sup 7} ions per specimen. The Zr (Fe, Cr){sub 2} SPPs contained small amounts of Ni and Si atoms, while in Zr{sub 2}(Fe, Ni) SPPs almost all the Si was concentrated and the ratio of Zr: (Fe + Ni + Si) was 2:1. Atomic concentrations of the Zr-matrix and the SPPs were identified by two approaches: the first by using all the visible peaks of the mass spectrum and the second using the representative peaks with the natural abundance of the corresponding atoms. It was found that the change in the concentration between the Zr-matrix and the SPPs can be estimated more accurately by the second method, although Sn concentration in the Zr{sub 2}(Fe, Ni) SPPs is slightly overestimated.

  4. Atom interferometry with trapped Bose-Einstein condensates: impact of atom-atom interactions

    International Nuclear Information System (INIS)

    Grond, Julian; Hohenester, Ulrich; Mazets, Igor; Schmiedmayer, Joerg

    2010-01-01

    Interferometry with ultracold atoms promises the possibility of ultraprecise and ultrasensitive measurements in many fields of physics, and is the basis of our most precise atomic clocks. Key to a high sensitivity is the possibility to achieve long measurement times and precise readout. Ultracold atoms can be precisely manipulated at the quantum level and can be held for very long times in traps; they would therefore be an ideal setting for interferometry. In this paper, we discuss how the nonlinearities from atom-atom interactions, on the one hand, allow us to efficiently produce squeezed states for enhanced readout and, on the other hand, result in phase diffusion that limits the phase accumulation time. We find that low-dimensional geometries are favorable, with two-dimensional (2D) settings giving the smallest contribution of phase diffusion caused by atom-atom interactions. Even for time sequences generated by optimal control, the achievable minimal detectable interaction energy ΔE min is of the order of 10 -4 μ, where μ is the chemical potential of the Bose-Einstein condensate (BEC) in the trap. From these we have to conclude that for more precise measurements with atom interferometers, more sophisticated strategies, or turning off the interaction-induced dephasing during the phase accumulation stage, will be necessary.

  5. Subthermal linewidths in photoassociation spectra of cold alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Machholm, Mette; Julienne, Paul S.; Suominen, Kalle-Antti

    2002-01-01

    Narrow s-wave features with subthermal widths are predicted for the 1 Π g photoassociation spectra of cold alkaline-earth-metal atoms. The phenomenon is explained by numerical and analytical calculations. These show that only a small subthermal range of collision energies near threshold contributes to the s-wave features that are excited when the atoms are very far apart. The resonances survive thermal averaging, and may be detectable for Ca cooled near the Doppler cooling temperature of the 4 1 P 1 S laser-cooling transition

  6. Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

    Energy Technology Data Exchange (ETDEWEB)

    Kroes, Geert-Jan, E-mail: g.j.kroes@chem.leidenuniv.nl; Pavanello, Michele [Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Blanco-Rey, María [Departamento de Física de Materiales, Facultad de Químicas UPV/EHU, Apartado 1072, 20080 Donostia-San Sebastián (Spain); Donostia International Physics Center, Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Alducin, Maite [Donostia International Physics Center, Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Centro de Física de Materiales, Centro Mixto CSIC-UPV/EHU, Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Auerbach, Daniel J. [Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Max Planck Institute for Biophysical Chemistry, Göttingen (Germany); Institute for Physical Chemistry, Georg-August University of Göttingen, Göttingen (Germany)

    2014-08-07

    Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction (“EF”) model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated “post” (“p”) the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy

  7. Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111).

    Science.gov (United States)

    Kroes, Geert-Jan; Pavanello, Michele; Blanco-Rey, María; Alducin, Maite; Auerbach, Daniel J

    2014-08-07

    Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction ("EF") model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated "post" ("p") the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the

  8. Origin of the transition voltage in gold–vacuum–gold atomic junctions

    International Nuclear Information System (INIS)

    Wu Kunlin; Bai Meilin; Hou Shimin; Sanvito, Stefano

    2013-01-01

    The origin and the distance dependence of the transition voltage of gold–vacuum–gold junctions are investigated by employing first-principles quantum transport simulations. Our calculations show that atomic protrusions always exist on the electrode surface of gold–vacuum–gold junctions fabricated using the mechanically controllable break junction (MCBJ) method. The transition voltage of these gold–vacuum–gold junctions with atomically sharp electrodes is determined by the local density of states (LDOS) of the apex gold atom on the electrode surface rather than by the vacuum barrier shape. More specifically, the absolute value of the transition voltage roughly equals the rising edge of the LDOS peak contributed by the 6p atomic orbitals of the gold atoms protruding from the electrode surface, whose local Fermi level is shifted downwards when a bias voltage is applied. Since the LDOS of the apex gold atom depends strongly on the exact shape of the electrode, the transition voltage is sensitive to the variation of the atomic configuration of the junction. For asymmetric junctions, the transition voltage may also change significantly depending on the bias polarity. Considering that the occurrence of the transition voltage requires the electrode distance to be larger than a critical value, the interaction between the two electrodes is actually rather weak. Consequently, the LDOS of the apex gold atom is mainly determined by its local atomic configuration and the transition voltage only depends weakly on the electrode distance as observed in the MCBJ experiments. (paper)

  9. 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)

  10. Contrast variation SANS experiments to the study of detergent ...

    Indian Academy of Sciences (India)

    Contrast variation SANS experiments to the study of detergent-induced micellization of block copolymers. V K ASWAL1 and J KOHLBRECHER2. 1Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085, India. 2Spallation Neutron Source Division, Paul Scherrer Institute, CH-5232 PSI Villigen,.

  11. 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.)

  12. Energy eigenvalues of helium-like atoms in dense plasmas

    International Nuclear Information System (INIS)

    Hashino, Tasuke; Nakazaki, Shinobu; Kato, Takako; Kashiwabara, Hiromichi.

    1987-04-01

    Calculations based on a variational method with wave functions including the correlation of electrons are carried out to obtain energy eigenvalues of Schroedinger's equation for helium-like atoms embedded in dense plasmas, taking the Debye-Hueckel approximation. Energy eigenvalues for the 1 1 S, 2 1 S, and 2 3 S states are obtained as a function of Debye screening length. (author)

  13. Characteristics of single-atom trapping in a magneto-optical trap with a high magnetic-field gradient

    International Nuclear Information System (INIS)

    Yoon, Seokchan; Choi, Youngwoon; Park, Sangbum; Ji, Wangxi; Lee, Jai-Hyung; An, Kyungwon

    2007-01-01

    A quantitative study on characteristics of a magneto-optical trap with a single or a few atoms is presented. A very small number of 85 Rb atoms were trapped in a micron-size magneto-optical trap with a high magnetic-field gradient. In order to find the optimum condition for a single-atom trap, we have investigated how the number of atoms and the size of atomic cloud change as various experimental parameters, such as a magnetic-field gradient and the trapping laser intensity and detuning. The averaged number of atoms was measured very accurately with a calibration procedure based on the single-atom saturation curve of resonance fluorescence. In addition, the number of atoms in a trap could be controlled by suppressing stochastic loading events by means of a real-time active feedback on the magnetic-field gradient

  14. Hydrogen atoms in a strong magnetic field

    International Nuclear Information System (INIS)

    Santos, R.R. dos.

    1975-07-01

    The energies and wave functions of the 14 lowest states of a Hydrogen atom in a strong magnetic field are calculated, using a variational scheme. The equivalence between the atomic problem and the problems related with excitons and impurities in semiconductors in the presence of a strong magnetic field are shown. The calculations of the energies and wave functions have been divided in two regions: the first, for the magnetic field ranging between zero and 10 9 G; in the second the magnetic field ranges between 10 9 and 10 11 G. The results have been compared with those obtained by previous authors. The computation time necessary for the calculations is small. Therefore this is a convenient scheme to obtain the energies and wave functions for the problem. Transition probabilities, wavelengths and oscillator strengths for some allowed transitions are also calculated. (Author) [pt

  15. Evaluation of soft x-ray average recombination coefficient and average charge for metallic impurities in beam-heated plasmas

    International Nuclear Information System (INIS)

    Sesnic, S.S.; Bitter, M.; Hill, K.W.; Hiroe, S.; Hulse, R.; Shimada, M.; Stratton, B.; von Goeler, S.

    1986-05-01

    The soft x-ray continuum radiation in TFTR low density neutral beam discharges can be much lower than its theoretical value obtained by assuming a corona equilibrium. This reduced continuum radiation is caused by an ionization equilibrium shift toward lower states, which strongly changes the value of the average recombination coefficient of metallic impurities anti γ, even for only slight changes in the average charge, anti Z. The primary agent for this shift is the charge exchange between the highly ionized impurity ions and the neutral hydrogen, rather than impurity transport, because the central density of the neutral hydrogen is strongly enhanced at lower plasma densities with intense beam injection. In the extreme case of low density, high neutral beam power TFTR operation (energetic ion mode) the reduction in anti γ can be as much as one-half to two-thirds. We calculate the parametric dependence of anti γ and anti Z for Ti, Cr, Fe, and Ni impurities on neutral density (equivalent to beam power), electron temperature, and electron density. These values are obtained by using either a one-dimensional impurity transport code (MIST) or a zero-dimensional code with a finite particle confinement time. As an example, we show the variation of anti γ and anti Z in different TFTR discharges

  16. Energy spectra of primary knock-on atoms under neutron irradiation

    International Nuclear Information System (INIS)

    Gilbert, M.R.; Marian, J.; Sublet, J.-Ch.

    2015-01-01

    Materials subjected to neutron irradiation will suffer from a build-up of damage caused by the displacement cascades initiated by nuclear reactions. Previously, the main “measure” of this damage accumulation has been through the displacements per atom (dpa) index, which has known limitations. This paper describes a rigorous methodology to calculate the primary atomic recoil events (often called the primary knock-on atoms or PKAs) that lead to cascade damage events as a function of energy and recoiling species. A new processing code SPECTRA-PKA combines a neutron irradiation spectrum with nuclear recoil data obtained from the latest nuclear data libraries to produce PKA spectra for any material composition. Via examples of fusion relevant materials, it is shown that these PKA spectra can be complex, involving many different recoiling species, potentially differing in both proton and neutron number from the original target nuclei, including high energy recoils of light emitted particles such as α-particles and protons. The variations in PKA spectra as a function of time, neutron field, and material are explored. The application of PKA spectra to the quantification of radiation damage is exemplified using two approaches: the binary collision approximation and stochastic cluster dynamics, and the results from these different models are discussed and compared. - Highlights: • Recoil cross-section matrices under neutron irradiation are generated. • Primary knock-on atoms (PKA) spectra are calculated for fusion relevant materials. • Variation in PKA spectra due to changes in geometry are considered. • Inventory simulations to consider time-evolution in PKA spectra. • Damage quantification using damage functions from different approximations.

  17. Optimal conversion of an atomic to a molecular Bose-Einstein condensate

    NARCIS (Netherlands)

    Hornung, T.; Gordienko, S.; Vivie-Riedle, de R.; Verhaar, B.J.

    2002-01-01

    The work in this article extends the optimal control framework of variational calculus to optimize the conversion of a Bose-Einstein condensate of atoms to one of molecules. It represents the derivation of the closed form optimal control equations for a system governed by a nonlinear Schrödinger

  18. Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical

    Energy Technology Data Exchange (ETDEWEB)

    Adam, Ahmad Y.; Jensen, Per, E-mail: jensen@uni-wuppertal.de [Fakultät Mathematik und Naturwissenschaften, Physikalische und Theoretische Chemie, Bergische Universität Wuppertal, D-42097 Wuppertal (Germany); Yachmenev, Andrey; Yurchenko, Sergei N. [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)

    2015-12-28

    We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH{sub 3} radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH{sub 3} in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in very good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant’s equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role.

  19. Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical

    Science.gov (United States)

    Adam, Ahmad Y.; Yachmenev, Andrey; Yurchenko, Sergei N.; Jensen, Per

    2015-12-01

    We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH3 radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH3 in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in very good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant's equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role.

  20. Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical

    International Nuclear Information System (INIS)

    Adam, Ahmad Y.; Jensen, Per; Yachmenev, Andrey; Yurchenko, Sergei N.

    2015-01-01

    We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH 3 radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH 3 in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in very good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant’s equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role

  1. Atomic physics

    International Nuclear Information System (INIS)

    Armbruster, P.; Beyer, H.; Bosch, F.; Dohmann, H.D.; Kozhuharov, C.; Liesen, D.; Mann, R.; Mokler, P.H.

    1984-01-01

    The heavy ion accelerator UNILAC is well suited to experiments in the field of atomic physics because, with the aid of high-energy heavy ions atoms can be produced in exotic states - that is, heavy atoms with only a few electrons. Also, in close collisions of heavy ions (atomic number Z 1 ) and heavy target atoms (Z 2 ) short-lived quasi-atomic 'superheavy' systems will be formed - huge 'atoms', where the inner electrons are bound in the field of the combined charge Z 1 + Z 2 , which exceeds by far the charge of the known elements (Z <= 109). Those exotic or transient superheavy atoms delivered from the heavy ion accelerator make it possible to study for the first time in a terrestrial laboratory exotic, but fundamental, processes, which occur only inside stars. Some of the basic research carried out with the UNILAC is discussed. This includes investigation of highly charged heavy atoms with the beam-foil method, the spectroscopy of highly charged slow-recoil ions, atomic collision studies with highly ionised, decelerated ions and investigations of super-heavy quasi-atoms. (U.K.)

  2. Streptavidin and its biotin complex at atomic resolution

    International Nuclear Information System (INIS)

    Le Trong, Isolde; Wang, Zhizhi; Hyre, David E.; Lybrand, Terry P.; Stayton, Patrick S.; Stenkamp, Ronald E.

    2011-01-01

    Analysis of atomic resolution crystal structures of wild-type streptavidin (1.03 Å) and its biotin complex (0.95 Å) indicate the range of conformational states taken on by this protein in the solid state. Most of the structural variation is found in the polypeptide loops between the strands in this β-sandwich protein. Atomic resolution crystallographic studies of streptavidin and its biotin complex have been carried out at 1.03 and 0.95 Å, respectively. The wild-type protein crystallized with a tetramer in the asymmetric unit, while the crystals of the biotin complex contained two subunits in the asymmetric unit. Comparison of the six subunits shows the various ways in which the protein accommodates ligand binding and different crystal-packing environments. Conformational variation is found in each of the polypeptide loops connecting the eight strands in the β-sandwich subunit, but the largest differences are found in the flexible binding loop (residues 45–52). In three of the unliganded subunits the loop is in an ‘open’ conformation, while in the two subunits binding biotin, as well as in one of the unliganded subunits, this loop ‘closes’ over the biotin–binding site. The ‘closed’ loop contributes to the protein’s high affinity for biotin. Analysis of the anisotropic displacement parameters included in the crystallographic models is consistent with the variation found in the loop structures and the view that the dynamic nature of the protein structure contributes to the ability of the protein to bind biotin so tightly

  3. Specific Gravity Variation in a Lower Mississippi Valley Cottonwood Population

    Science.gov (United States)

    R. E. Farmer; J. R. Wilcox

    1966-01-01

    Specific gravity varied from 0,32 to 0.46, averaging 0.38. Most of the variation was associated with individual trees; samples within locations accounted for a smaller, but statistically significant, portion of the variation. Variation between locatians was not significant. It was concluded that individual high-density trees' should be sought throughout the...

  4. Atomic density effects on temperature characteristics and thermal transport at grain boundaries through a proper bin size selection

    Energy Technology Data Exchange (ETDEWEB)

    Vo, Truong Quoc; Kim, BoHung, E-mail: muratbarisik@iyte.edu.tr, E-mail: bohungk@ulsan.ac.kr [School of Mechanical Engineering, University of Ulsan, Daehak-ro 93, Namgu, Ulsan 680-749 (Korea, Republic of); Barisik, Murat, E-mail: muratbarisik@iyte.edu.tr, E-mail: bohungk@ulsan.ac.kr [Department of Mechanical Engineering, Izmir Institute of Technology, Urla, Izmir 35430 (Turkey)

    2016-05-21

    This study focuses on the proper characterization of temperature profiles across grain boundaries (GBs) in order to calculate the correct interfacial thermal resistance (ITR) and reveal the influence of GB geometries onto thermal transport. The solid-solid interfaces resulting from the orientation difference between the (001), (011), and (111) copper surfaces were investigated. Temperature discontinuities were observed at the boundary of grains due to the phonon mismatch, phonon backscattering, and atomic forces between dissimilar structures at the GBs. We observed that the temperature decreases gradually in the GB area rather than a sharp drop at the interface. As a result, three distinct temperature gradients developed at the GB which were different than the one observed in the bulk solid. This behavior extends a couple molecular diameters into both sides of the interface where we defined a thickness at GB based on the measured temperature profiles for characterization. Results showed dependence on the selection of the bin size used to average the temperature data from the molecular dynamics system. The bin size on the order of the crystal layer spacing was found to present an accurate temperature profile through the GB. We further calculated the GB thickness of various cases by using potential energy (PE) distributions which showed agreement with direct measurements from the temperature profile and validated the proper binning. The variation of grain crystal orientation developed different molecular densities which were characterized by the average atomic surface density (ASD) definition. Our results revealed that the ASD is the primary factor affecting the structural disorders and heat transfer at the solid-solid interfaces. Using a system in which the planes are highly close-packed can enhance the probability of interactions and the degree of overlap between vibrational density of states (VDOS) of atoms forming at interfaces, leading to a reduced ITR. Thus, an

  5. Formation of molecules in interstellar clouds from singly and multiply ionized atoms

    International Nuclear Information System (INIS)

    Langer, W.D.; and NASA, Institute for Space Studies, Goddard Space Flight Center, New York)

    1978-01-01

    Soft X-ray and cosmic rays produce multiply ionized atoms which may initiate molecule production in interstellar clouds. This molecule production can occur via ion-molecule reactions with H 2 , either directly from the multiply ionized atom (e.g.,C ++ + H 2 →CH + + H + ), or indirectly from the singly ionized atoms (e.g., N + + H 2 →NH + + H) that are formed from the recombination or charge transfer of the highly ionized atom (e.g., N ++ + e→N + + hv). We investigate the contribution of these reactions to the abundances of carbon-, nitrogen-, and oxygen-bearing molecules in isobaric models of diffuse clouds. In the presence of the average flux estimated for the diffuse soft X-ray background, multiply ionized atoms contribute only minimally (a few percent) to carbon-bearing molecules such as CH. In the neighborhood of diffuse structures or discrete sources, however, where the X-ray flux is enhanced, multiple ionization is considerably more important for molecule production

  6. Determination of mean pressure from PIV in compressible flows using the Reynolds-averaging approach

    Science.gov (United States)

    van Gent, Paul L.; van Oudheusden, Bas W.; Schrijer, Ferry F. J.

    2018-03-01

    The feasibility of computing the flow pressure on the basis of PIV velocity data has been demonstrated abundantly for low-speed conditions. The added complications occurring for high-speed compressible flows have, however, so far proved to be largely inhibitive for the accurate experimental determination of instantaneous pressure. Obtaining mean pressure may remain a worthwhile and realistic goal to pursue. In a previous study, a Reynolds-averaging procedure was developed for this, under the moderate-Mach-number assumption that density fluctuations can be neglected. The present communication addresses the accuracy of this assumption, and the consistency of its implementation, by evaluating of the relevance of the different contributions resulting from the Reynolds-averaging. The methodology involves a theoretical order-of-magnitude analysis, complemented with a quantitative assessment based on a simulated and a real PIV experiment. The assessments show that it is sufficient to account for spatial variations in the mean velocity and the Reynolds-stresses and that temporal and spatial density variations (fluctuations and gradients) are of secondary importance and comparable order-of-magnitude. This result permits to simplify the calculation of mean pressure from PIV velocity data and to validate the approximation of neglecting temporal and spatial density variations without having access to reference pressure data.

  7. A novel variational Bayes multiple locus Z-statistic for genome-wide association studies with Bayesian model averaging

    Science.gov (United States)

    Logsdon, Benjamin A.; Carty, Cara L.; Reiner, Alexander P.; Dai, James Y.; Kooperberg, Charles

    2012-01-01

    Motivation: For many complex traits, including height, the majority of variants identified by genome-wide association studies (GWAS) have small effects, leaving a significant proportion of the heritable variation unexplained. Although many penalized multiple regression methodologies have been proposed to increase the power to detect associations for complex genetic architectures, they generally lack mechanisms for false-positive control and diagnostics for model over-fitting. Our methodology is the first penalized multiple regression approach that explicitly controls Type I error rates and provide model over-fitting diagnostics through a novel normally distributed statistic defined for every marker within the GWAS, based on results from a variational Bayes spike regression algorithm. Results: We compare the performance of our method to the lasso and single marker analysis on simulated data and demonstrate that our approach has superior performance in terms of power and Type I error control. In addition, using the Women's Health Initiative (WHI) SNP Health Association Resource (SHARe) GWAS of African-Americans, we show that our method has power to detect additional novel associations with body height. These findings replicate by reaching a stringent cutoff of marginal association in a larger cohort. Availability: An R-package, including an implementation of our variational Bayes spike regression (vBsr) algorithm, is available at http://kooperberg.fhcrc.org/soft.html. Contact: blogsdon@fhcrc.org Supplementary information: Supplementary data are available at Bioinformatics online. PMID:22563072

  8. Seed predators exert selection on the subindividual variation of seed size.

    Science.gov (United States)

    Sobral, M; Guitián, J; Guitián, P; Larrinaga, A R

    2014-07-01

    Subindividual variation among repeated organs in plants constitutes an overlooked level of variation in phenotypic selection studies, despite being a major component of phenotypic variation. Animals that interact with plants could be selective agents on subindividual variation. This study examines selective pressures exerted during post-dispersal seed predation and germination on the subindividual variation of seed size in hawthorn (Crataegus monogyna). With a seed offering experiment and a germination test, we estimated phenotypic selection differentials for average and subindividual variation of seed size due to seed predation and germination. Seed size affects germination, growth rate and the probability of an individual seed of escaping predation. Longer seeds showed higher germination rates, but this did not result in significant selection on phenotypes of the maternal trees. On the other hand, seed predators avoided wider seeds, and by doing so exerted phenotypic selection on adult average and subindividual variation of seed size. The detected selection on subindividual variation suggests that the levels of phenotypic variation within individual plants may be, at least partly, the adaptive consequence of animal-mediated selection. © 2013 German Botanical Society and The Royal Botanical Society of the Netherlands.

  9. Anomalous conductance oscillations and half-metallicity in atomic Ag-O chains

    DEFF Research Database (Denmark)

    Strange, Mikkel; Thygesen, Kristian Sommer; Sethna, James P

    2008-01-01

    . The conductances of the chains exhibit weak even-odd oscillations around an anomalously low value of 0.1G(0) (G(0) = 2e(2)/h) which coincide with the averaged experimental conductance in the long chain limit. The unusual conductance properties are explained in terms of a resonating-chain model, which takes...... the reflection probability and phase shift of a single bulk-chain interface as the only input. The model also explains the conductance oscillations for other metallic chains.......Using spin density functional theory, we study the electronic and magnetic properties of atomically thin, suspended chains containing silver and oxygen atoms in an alternating sequence. Chains longer than 4 atoms develop a half-metallic ground state implying fully spin-polarized charge carriers...

  10. Through-barrier electromagnetic imaging with an atomic magnetometer.

    Science.gov (United States)

    Deans, Cameron; Marmugi, Luca; Renzoni, Ferruccio

    2017-07-24

    We demonstrate the penetration of thick metallic and ferromagnetic barriers for imaging of conductive targets underneath. Our system is based on an 85 Rb radio-frequency atomic magnetometer operating in electromagnetic induction imaging modality in an unshielded environment. Detrimental effects, including unpredictable magnetic signatures from ferromagnetic screens and variations in the magnetic background, are automatically compensated by active compensation coils controlled by servo loops. We exploit the tunability and low-frequency sensitivity of the atomic magnetometer to directly image multiple conductive targets concealed by a 2.5 mm ferromagnetic steel shield and/or a 2.0 mm aluminium shield, in a single scan. The performance of the atomic magnetometer allows imaging without any prior knowledge of the barriers or the targets, and without the need of background subtraction. A dedicated edge detection algorithm allows automatic estimation of the targets' size within 3.3 mm and of their position within 2.4 mm. Our results prove the feasibility of a compact, sensitive and automated sensing platform for imaging of concealed objects in a range of applications, from security screening to search and rescue.

  11. Movement of correlated atomic particles in amorphous solids

    International Nuclear Information System (INIS)

    Jakas, M.M.

    1983-01-01

    Two problems about energetic ions penetration in solids are studied by using transport theory. The exact solutions of their transport equations are difficult to obtain, making it necesary to resort to variational functionals. The formulation and the approximate solution of the transport equation which is introduced into an adequate variational functional are presented. After recapitulating the generalities of the Rutherford backscattering, its anomalous form is considered. The increase of the number of ions which backscatter from the first atomic layers (approx. 300 A), when the observation angle αsub(o) is very small (αsub(o) less or approx. 0.5 deg), is studied. The difficulty arises from the correlation between the scattering suffered with each atom of the target in the incoming and outcoming paths for those ions which are backscattered at scattering angles close to 180 deg and return to the vacuum through almost the same trajectory traversed in the incoming path. The second problem studied is the transmission of diatomic molecules through thin sheets, where an attempt is made to coherently describe the Coulomb repulsion between the molecular fragments and the multiple scattering. Finally, the results obtained from the calculations are discussed and compared with experimental data. (M.E.L.) [es

  12. Correlating Atom Probe Crystallographic Measurements with Transmission Kikuchi Diffraction Data.

    Science.gov (United States)

    Breen, Andrew J; Babinsky, Katharina; Day, Alec C; Eder, K; Oakman, Connor J; Trimby, Patrick W; Primig, Sophie; Cairney, Julie M; Ringer, Simon P

    2017-04-01

    Correlative microscopy approaches offer synergistic solutions to many research problems. One such combination, that has been studied in limited detail, is the use of atom probe tomography (APT) and transmission Kikuchi diffraction (TKD) on the same tip specimen. By combining these two powerful microscopy techniques, the microstructure of important engineering alloys can be studied in greater detail. For the first time, the accuracy of crystallographic measurements made using APT will be independently verified using TKD. Experimental data from two atom probe tips, one a nanocrystalline Al-0.5Ag alloy specimen collected on a straight flight-path atom probe and the other a high purity Mo specimen collected on a reflectron-fitted instrument, will be compared. We find that the average minimum misorientation angle, calculated from calibrated atom probe reconstructions with two different pole combinations, deviate 0.7° and 1.4°, respectively, from the TKD results. The type of atom probe and experimental conditions appear to have some impact on this accuracy and the reconstruction and measurement procedures are likely to contribute further to degradation in angular resolution. The challenges and implications of this correlative approach will also be discussed.

  13. Low-energy electron scattering by C, N, and O atoms

    Energy Technology Data Exchange (ETDEWEB)

    Nesbet, R K [International Business Machines Corp., San Jose, Calif. (USA). Research Lab.

    1977-07-01

    Recent theoretical studies of low-energy electron scattering by C, N, and O atoms are reviewed and results are compared with available experimental data. A critical comparison is made of the two principal methods used in this work-polarized pseudostate expansion with R-matrix computations or direct integration, and Bethe-Goldstone expansion with matrix variational computations. 31 references.

  14. Atom optics

    International Nuclear Information System (INIS)

    Balykin, V. I.; Jhe, W.

    1999-01-01

    Atom optics, in analogy to neutron and electron optics, deals with the realization of as a traditional elements, such as lenes, mirrors, beam splitters and atom interferometers, as well as a new 'dissipative' elements such as a slower and a cooler, which have no analogy in an another types of optics. Atom optics made the development of atom interferometer with high sensitivity for measurement of acceleration and rotational possible. The practical interest in atom optics lies in the opportunities to create atom microprobe with atom-size resolution and minimum damage of investigated objects. (Cho, G. S.)

  15. Modulation of periodic field on the atomic current in optical lattices with Landau–Zener tunneling considered

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Jie-Yun, E-mail: jyyan@bupt.edu.cn; Wang, Lan-Yu, E-mail: lan_yu_wang@163.com

    2016-09-01

    We investigate the atomic current in optical lattices under the presence of both constant and periodic external field with Landau–Zener tunneling considered. By simplifying the system to a two-band model, the atomic current is obtained based on the Boltzmann equations. We focus on three situations to discuss the influence of the Landau–Zener tunneling and periodic field on the atomic current. Numerical calculations show the atomic transient current would finally become the stable oscillation, whose amplitude and average value can be further adjusted by the periodic external field. It is concluded that the periodic external field could provide an effective modulation on the atomic current even when the Landau–Zener tunneling probability has almostly become a constant.

  16. The Average Temporal and Spectral Evolution of Gamma-Ray Bursts

    International Nuclear Information System (INIS)

    Fenimore, E.E.

    1999-01-01

    We have averaged bright BATSE bursts to uncover the average overall temporal and spectral evolution of gamma-ray bursts (GRBs). We align the temporal structure of each burst by setting its duration to a standard duration, which we call T left-angleDurright-angle . The observed average open-quotes aligned T left-angleDurright-angle close quotes profile for 32 bright bursts with intermediate durations (16 - 40 s) has a sharp rise (within the first 20% of T left-angleDurright-angle ) and then a linear decay. Exponentials and power laws do not fit this decay. In particular, the power law seen in the X-ray afterglow (∝T -1.4 ) is not observed during the bursts, implying that the X-ray afterglow is not just an extension of the average temporal evolution seen during the gamma-ray phase. The average burst spectrum has a low-energy slope of -1.03, a high-energy slope of -3.31, and a peak in the νF ν distribution at 390 keV. We determine the average spectral evolution. Remarkably, it is also a linear function, with the peak of the νF ν distribution given by ∼680-600(T/T left-angleDurright-angle ) keV. Since both the temporal profile and the peak energy are linear functions, on average, the peak energy is linearly proportional to the intensity. This behavior is inconsistent with the external shock model. The observed temporal and spectral evolution is also inconsistent with that expected from variations in just a Lorentz factor. Previously, trends have been reported for GRB evolution, but our results are quantitative relationships that models should attempt to explain. copyright copyright 1999. The American Astronomical Society

  17. Directed Atom-by-Atom Assembly of Dopants in Silicon.

    Science.gov (United States)

    Hudak, Bethany M; Song, Jiaming; Sims, Hunter; Troparevsky, M Claudia; Humble, Travis S; Pantelides, Sokrates T; Snijders, Paul C; Lupini, Andrew R

    2018-05-17

    The ability to controllably position single atoms inside materials is key for the ultimate fabrication of devices with functionalities governed by atomic-scale properties. Single bismuth dopant atoms in silicon provide an ideal case study in view of proposals for single-dopant quantum bits. However, bismuth is the least soluble pnictogen in silicon, meaning that the dopant atoms tend to migrate out of position during sample growth. Here, we demonstrate epitaxial growth of thin silicon films doped with bismuth. We use atomic-resolution aberration-corrected imaging to view the as-grown dopant distribution and then to controllably position single dopants inside the film. Atomic-scale quantum-mechanical calculations corroborate the experimental findings. These results indicate that the scanning transmission electron microscope is of particular interest for assembling functional materials atom-by-atom because it offers both real-time monitoring and atom manipulation. We envision electron-beam manipulation of atoms inside materials as an achievable route to controllable assembly of structures of individual dopants.

  18. Atomic weight versus atomic mass controversy

    International Nuclear Information System (INIS)

    Holden, N.E.

    1985-01-01

    A problem for the Atomic Weights Commission for the past decade has been the controversial battle over the names ''atomic weight'' and ''atomic mass''. The Commission has considered the arguments on both sides over the years and it appears that this meeting will see more of the same discussion taking place. In this paper, I review the situation and offer some alternatives

  19. Photodissociation and photoionisation of atoms and molecules of astrophysical interest

    Science.gov (United States)

    Heays, A. N.; Bosman, A. D.; van Dishoeck, E. F.

    2017-06-01

    A new collection of photodissociation and photoionisation cross sections for 102 atoms and molecules of astrochemical interest has been assembled, along with a brief review of the basic physical processes involved. These have been used to calculate dissociation and ionisation rates, with uncertainties, in a standard ultraviolet interstellar radiation field (ISRF) and for other wavelength-dependent radiation fields, including cool stellar and solar radiation, Lyman-α dominated radiation, and a cosmic-ray induced ultraviolet flux. The new ISRF rates generally agree within 30% with our previous compilations, with a few notable exceptions. Comparison with other databases such as PHIDRATES is made. The reduction of rates in shielded regions was calculated as a function of dust, molecular and atomic hydrogen, atomic C, and self-shielding column densities. The relative importance of these shielding types depends on the atom or molecule in question and the assumed dust optical properties. All of the new data are publicly available from the Leiden photodissociation and ionisation database. Sensitivity of the calculated rates to variation of temperature and isotope, and uncertainties in measured or calculated cross sections, are tested and discussed. Tests were conducted on the new rates with an interstellar-cloud chemical model, and find general agreement (within a factor of two) in abundances obtained with the previous iteration of the Leiden database assuming an ISRF, and order-of-magnitude variations assuming various kinds of stellar radiation. The newly parameterised dust-shielding factors makes a factor-of-two difference to many atomic and molecular abundances relative to parameters currently in the UDfA and KIDA astrochemical reaction databases. The newly-calculated cosmic-ray induced photodissociation and ionisation rates differ from current standard values up to a factor of 5. Under high temperature and cosmic-ray-flux conditions the new rates alter the equilibrium

  20. New Tests for Variations of the Fine Structure Constant

    Science.gov (United States)

    Prestage, John D.

    1995-01-01

    We describe a new test for possible variations of the fine structure constant, by comparisons of rates between clocks based on hyperfine transitions in alkali atomos with different atomic number Z. H- maser, Cs and Hg+ clocks have a different dependence on ia relativistic contributions of order (Z. Recent H-maser vs Hg+ clock comparison data improves laboratory limits on a time variation by 100-fold to giveFuture laser cooled clocks (Be+, Rb, Cs, Hg+, etc.), when compared, will yield the most senstive of all tests for.

  1. Local crystallography analysis for atomically resolved scanning tunneling microscopy images

    International Nuclear Information System (INIS)

    Lin, Wenzhi; Li, Qing; Belianinov, Alexei; Gai, Zheng; Baddorf, Arthur P; Pan, Minghu; Jesse, Stephen; Kalinin, Sergei V; Sales, Brian C; Sefat, Athena

    2013-01-01

    Scanning probe microscopy has emerged as a powerful and flexible tool for atomically resolved imaging of surface structures. However, due to the amount of information extracted, in many cases the interpretation of such data is limited to being qualitative and semi-quantitative in nature. At the same time, much can be learned from local atom parameters, such as distances and angles, that can be analyzed and interpreted as variations of local chemical bonding, or order parameter fields. Here, we demonstrate an iterative algorithm for indexing and determining atomic positions that allows the analysis of inhomogeneous surfaces. This approach is further illustrated by local crystallographic analysis of several real surfaces, including highly ordered pyrolytic graphite and an Fe-based superconductor FeTe 0.55 Se 0.45 . This study provides a new pathway to extract and quantify local properties for scanning probe microscopy images. (paper)

  2. Short-term cyclic variations and diurnal variations of the Venus upper atmosphere

    Science.gov (United States)

    Keating, G. M.; Taylor, F. W.; Nicholson, J. Y.; Hinson, E. W.

    1979-01-01

    The vertical structure of the nighttime thermosphere and exosphere of Venus was discussed. A comparison of the day and nighttime profiles indicates, contrary to the model of Dickinson and Riley (1977), that densities (principally atomic oxygen) dropped sharply from day to night. It was suggested either that the lower estimates were related to cooler exospheric temperatures at night or that the atomic bulge was flatter than expected at lower altitudes. Large periodic oscillations, in both density and inferred exospheric temperatures, were detected with periods of 5 to 6 days. The possibility that cyclic variations in the thermosphere and stratosphere were caused by planetary-scale waves, propagated upward from the lower atmosphere, was investigated using simultaneous temperature measurements obtained by the Venus radiometric temperature experiment (VORTEX). Inferred exospheric temperatures in the morning were found to be lower than in the evening as if the atmosphere rotated in the direction of the planet's rotation, similar to that of earth. Superrotation of the thermosphere and exosphere was discussed as a possible extension of the 4-day cyclic atmospheric rotation near the cloud tops.

  3. Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

    Science.gov (United States)

    Huang, K.-N.

    1977-01-01

    A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

  4. Hybrid Iterative Scheme for Triple Hierarchical Variational Inequalities with Mixed Equilibrium, Variational Inclusion, and Minimization Constraints

    Directory of Open Access Journals (Sweden)

    Lu-Chuan Ceng

    2014-01-01

    Full Text Available We introduce and analyze a hybrid iterative algorithm by combining Korpelevich's extragradient method, the hybrid steepest-descent method, and the averaged mapping approach to the gradient-projection algorithm. It is proven that, under appropriate assumptions, the proposed algorithm converges strongly to a common element of the fixed point set of finitely many nonexpansive mappings, the solution set of a generalized mixed equilibrium problem (GMEP, the solution set of finitely many variational inclusions, and the solution set of a convex minimization problem (CMP, which is also a unique solution of a triple hierarchical variational inequality (THVI in a real Hilbert space. In addition, we also consider the application of the proposed algorithm to solving a hierarchical variational inequality problem with constraints of the GMEP, the CMP, and finitely many variational inclusions.

  5. Reconstruction of a cold atom cloud by magnetic focusing

    International Nuclear Information System (INIS)

    Saba, C.V.

    1999-12-01

    Over the passed 15 years advances in laser cooling techniques have made it routinely possible to prepare cold clouds of atoms exhibiting temperatures of the order of several micro-Kelvin or less. Such low temperatures correspond to average atomic velocities of a few centimetres per second. Therefore, according to the de Broglie relationship p = h/λ, the atoms increasingly exhibit wave-like behaviour and can no longer be treated solely as particles. These advances in atom manipulation have renewed interest in the field of atom optics. One of the concerns of atom optics is the manipulation of atoms with optical elements analogous to those used in photon optics. The most basic of such elements is the mirror. This thesis presents a curved mirror for paramagnetic atoms fabricated from commercial video tape. It is the smoothest magnetic mirror to date and is the third generation of mirrors fabricated by our group using magnetic recording media. Previous designs used audio tape and 5 1/4 inch floppy disk. Using fluorescence imaging we have directly imaged atoms bouncing above the mirror and, owing to its smoothness, have observed the first ever reconstruction of a cold atom cloud above a curved reflector. The atoms were collected in a magneto optical trap (MOT), cooled to a temperature of 18 μK and then dropped onto the mirror. When released from a height of 13.5 mm we observed the collimation and refocusing of the cloud on consecutive bounces. Furthermore, we observed up to 14 bounces of the cloud, which corresponds to a time of ∼1.5 s. One of the factors that limited the number of observable bounces was the presence of some finite roughness in the reflecting surface. Using images of the focused cloud at the peak of even bounces we were able to measure this roughness and found it to be 5.9 mrads. By analysing magnetic force microscope (MFM) scans of the fields above the mirror we attributed this residual roughness to the spatial inhomogeneity of magnetic particles in

  6. Origin of the transition voltage in gold–vacuum–gold atomic junctions

    KAUST Repository

    Wu, Kunlin

    2012-12-13

    The origin and the distance dependence of the transition voltage of gold-vacuum-gold junctions are investigated by employing first-principles quantum transport simulations. Our calculations show that atomic protrusions always exist on the electrode surface of gold-vacuum-gold junctions fabricated using the mechanically controllable break junction (MCBJ) method. The transition voltage of these gold-vacuum-gold junctions with atomically sharp electrodes is determined by the local density of states (LDOS) of the apex gold atom on the electrode surface rather than by the vacuum barrier shape. More specifically, the absolute value of the transition voltage roughly equals the rising edge of the LDOS peak contributed by the 6p atomic orbitals of the gold atoms protruding from the electrode surface, whose local Fermi level is shifted downwards when a bias voltage is applied. Since the LDOS of the apex gold atom depends strongly on the exact shape of the electrode, the transition voltage is sensitive to the variation of the atomic configuration of the junction. For asymmetric junctions, the transition voltage may also change significantly depending on the bias polarity. Considering that the occurrence of the transition voltage requires the electrode distance to be larger than a critical value, the interaction between the two electrodes is actually rather weak. Consequently, the LDOS of the apex gold atom is mainly determined by its local atomic configuration and the transition voltage only depends weakly on the electrode distance as observed in the MCBJ experiments. © 2013 IOP Publishing Ltd.

  7. Discrimination of solvent from protein regions in native Fouriers as a means of evaluating heavy-atom solutions in the MIR and MAD methods

    International Nuclear Information System (INIS)

    Terwilliger, Thomas C.; Berendzen, Joel

    1999-01-01

    The presence of distinct regions of high and low density variation in electron-density maps is found to be a good indicator of the correctness of a heavy-atom solution in the MIR and MAD methods. An automated examination of the native Fourier is tested as a means of evaluation of a heavy-atom solution in MAD and MIR methods for macromolecular crystallography. It is found that the presence of distinct regions of high and low density variation in electron-density maps is a good indicator of the correctness of a heavy-atom solution in the MIR and MAD methods. The method can be used to evaluate heavy-atom solutions during MAD and MIR structure solutions and to determine the handedness of the structure if anomalous data have been measured

  8. Raman-atomic force microscopy of the ommatidial surfaces of Dipteran compound eyes

    Science.gov (United States)

    Anderson, Mark S.; Gaimari, Stephen D.

    2003-01-01

    The ommatidial lens surfaces of the compound eyes in several species of files (Insecta: Diptera) and a related order (Mecoptera) were analyzed using a recently developed Raman-atomic force microscope. We demonstrate in this work that the atomic force microscope (AFM) is a potentially useful instrument for gathering phylogenetic data and that the newly developed Raman-AFM may extend this application by revealing nanometer-scale surface chemistry. This is the first demonstration of apertureless near-field Raman spectroscopy on an intact biological surface. For Chrysopilus testaceipes Bigot (Rhagionidae), this reveals unique cerebral cortex-like surface ridges with periodic variation in height and surface chemistry. Most other Brachyceran flies, and the "Nematoceran" Sylvicola fenestralis (Scopoli) (Anisopodidae), displayed the same morphology, while other taxa displayed various other characteristics, such as a nodule-like (Tipula (Triplicitipula) sp. (Tipulidae)) or coalescing nodule-like (Tabanus punctifer Osten Sacken (Tabanidae)) morphology, a smooth morphology with distinct pits and grooves (Dilophus orbatus (Say) (Bibionidae)), or an entirely smooth surface (Bittacus chlorostigma MacLachlan (Mecoptera: Bittacidae)). The variation in submicrometer structure and surface chemistry provides a new information source of potential phylogenetic importance, suggesting the Raman-atomic force microscope could provide a new tool useful to systematic and evolutionary inquiry.

  9. Determining Adequate Averaging Periods and Reference Coordinates for Eddy Covariance Measurements of Surface Heat and Water Vapor Fluxes over Mountainous Terrain

    Directory of Open Access Journals (Sweden)

    Yi-Ying Chen Ming-Hsu Li

    2012-01-01

    Full Text Available Two coordinate rotation approaches (double and planar-fit rotations and no rotation, in association with averaging periods of 15 - 480 min, were applied to compute surface heat and water vapor fluxes using the eddy covariance approach. Measurements were conducted in an experimental watershed, the Lien-Hua-Chih (LHC watershed, located in central Taiwan. For no rotation and double rotation approaches, an adequate averaging period of 15 or 30 min was suggested for better energy closure and small variations on energy closure fractions. For the planar-fit rotation approach, an adequate averaging period of 60 or 120 min was recommended, and a typical averaging period of 30 min is not superior to that of 60 or 120 min in terms of better energy closure and small variations on energy closure fractions. The Ogive function analysis revealed that the energy closure was improved with the increase of averaging time by capturing sensible heat fluxes at low-frequency ranges during certain midday hours at LHC site. Seasonal variations of daily energy closure fractions, high in dry season and low in wet season, were found to be associated with the surface dryness and strength of turbulent development. The mismatching of flux footprint areas among flux sensors was suggested as the cause of larger CF variations during the dry seasons as that indicated by the footprint analysis showing scattered source areas. During the wet season, the underestimation of turbulent fluxes by EC observations at the LHC site was attributed to weak turbulence developments as the source area identified by the footprint analysis was closer to the flux tower than those scattered in dry season.

  10. Angular momentum coupling in atom-atom collisions

    International Nuclear Information System (INIS)

    Grosser, J.

    1986-01-01

    The coupling between the electronic angular momentum and the rotating atom-atom axis in the initial or the final phase of an atom-atom collision is discussed, making use of the concepts of radial and rotational (Coriolis) coupling between different molecular states. The description is based on a limited number of well-understood approximations, and it allows an illustrative geometric representation of the transition from the body fixed to the space fixed motion of the electrons. (orig.)

  11. Local Atomic Structure and Discommensurations in the Charge Density Wave of CeTe3

    International Nuclear Information System (INIS)

    Kim, H.J.; Tomic, A.T.; Tessmer, S.H.; Billinge, S.J.L.; Malliakas, C.D.; Kanatzidis, M.G.

    2006-01-01

    The local structure of CeTe 3 in the incommensurate charge density wave (IC-CDW) state has been obtained using atomic pair distribution function analysis of x-ray diffraction data. Local atomic distortions in the Te nets due to the CDW are larger than observed crystallographically, resulting in distinct short and long Te-Te bonds. Observation of different distortion amplitudes in the local and average structures is explained by the discommensurated nature of the CDW, since the pair distribution function is sensitive to the local displacements within the commensurate regions, whereas the crystallographic result averages over many discommensurated domains. The result is supported by STM data. This is the first quantitative local structural study within the commensurate domains in an IC-CDW system

  12. Real-space calculations of nonspherically averaged charge densities for substitutionally disordered alloys

    International Nuclear Information System (INIS)

    Singh, P.P.; Gonis, A.

    1993-01-01

    Based on screening transformations of muffin-tin orbitals introduced by Andersen and Jepsen [Phys. Rev. Lett. 53, 2571 (1984)], we have developed a formalism for calculating the nonspherically averaged charge densities of substitutionally disordered alloys using the Korringa-Kohn-Rostoker coherent-potential-approximation (KKR CPA) method in the atomic-sphere approximation (ASA). We have validated our method by calculating charge densities for ordered structures, where we find that our approach yields charge densities that are essentially indistinguishable from the results of full-potential methods. Calculations and comparisons are reported for Si, Al, and Li. For substitutionally disordered alloys, where full-potential methods have not been implemented so far, our approach can be used to calculate reliable nonspherically averaged charge densities from spherically symmetric one-electron potentials obtained from the KKR-ASA CPA. We report on our study of differences in charge density between ordered AlLi in the L1 0 phase and substitutionally disordered Al 0.5 Li 0.5 on a face-centered-cubic lattice

  13. Positron-atom scattering using a modified Kohn variational technique

    International Nuclear Information System (INIS)

    Page, B.A.P.

    1976-01-01

    An analysis of the zero-energy positron-hydrogen and positron-helium systems using various approximations to the target ground-state wavefunction is presented. A modification of the normal Kohn variational method is used in which a quantity, asub(Q), which becomes the Kohn scattering length if the target wavefunction is exact, is related to the trial wavefunction psisub(t) through an integral expression. By comparing the results obtained with the definitive values for the positron-hydrogen system, it is conjectured that if the values of asub(Q) display a local minimum when all the nonlinear parameters of psisub(t) are varied, then this local minimum of asub(Q) is an upper bound on the exact scattering length. Using this criterion to analyse the positron-helium results, it is concluded that this method may be considered as an alternative to the 'method of models' procedure, since both methods give similar results. (author)

  14. Averaging models: parameters estimation with the R-Average procedure

    Directory of Open Access Journals (Sweden)

    S. Noventa

    2010-01-01

    Full Text Available The Functional Measurement approach, proposed within the theoretical framework of Information Integration Theory (Anderson, 1981, 1982, can be a useful multi-attribute analysis tool. Compared to the majority of statistical models, the averaging model can account for interaction effects without adding complexity. The R-Average method (Vidotto & Vicentini, 2007 can be used to estimate the parameters of these models. By the use of multiple information criteria in the model selection procedure, R-Average allows for the identification of the best subset of parameters that account for the data. After a review of the general method, we present an implementation of the procedure in the framework of R-project, followed by some experiments using a Monte Carlo method.

  15. A Transportable Gravity Gradiometer Based on Atom Interferometry

    Science.gov (United States)

    Yu, Nan; Thompson, Robert J.; Kellogg, James R.; Aveline, David C.; Maleki, Lute; Kohel, James M.

    2010-01-01

    A transportable atom interferometer-based gravity gradiometer has been developed at JPL to carry out measurements of Earth's gravity field at ever finer spatial resolutions, and to facilitate high-resolution monitoring of temporal variations in the gravity field from ground- and flight-based platforms. Existing satellite-based gravity missions such as CHAMP and GRACE measure the gravity field via precise monitoring of the motion of the satellites; i.e. the satellites themselves function as test masses. JPL's quantum gravity gradiometer employs a quantum phase measurement technique, similar to that employed in atomic clocks, made possible by recent advances in laser cooling and manipulation of atoms. This measurement technique is based on atomwave interferometry, and individual laser-cooled atoms are used as drag-free test masses. The quantum gravity gradiometer employs two identical atom interferometers as precision accelerometers to measure the difference in gravitational acceleration between two points (Figure 1). By using the same lasers for the manipulation of atoms in both interferometers, the accelerometers have a common reference frame and non-inertial accelerations are effectively rejected as common mode noise in the differential measurement of the gravity gradient. As a result, the dual atom interferometer-based gravity gradiometer allows gravity measurements on a moving platform, while achieving the same long-term stability of the best atomic clocks. In the laboratory-based prototype (Figure 2), the cesium atoms used in each atom interferometer are initially collected and cooled in two separate magneto-optic traps (MOTs). Each MOT, consisting of three orthogonal pairs of counter-propagating laser beams centered on a quadrupole magnetic field, collects up to 10(exp 9) atoms. These atoms are then launched vertically as in an atom fountain by switching off the magnetic field and introducing a slight frequency shift between pairs of lasers to create a moving

  16. Atom interferometry in space: Thermal management and magnetic shielding

    Energy Technology Data Exchange (ETDEWEB)

    Milke, Alexander; Kubelka-Lange, André; Gürlebeck, Norman, E-mail: norman.guerlebeck@zarm.uni-bremen.de; Rievers, Benny; Herrmann, Sven [Center of Applied Space Technology and Microgravity (ZARM), University Bremen, Am Fallturm, 28359 Bremen (Germany); Schuldt, Thilo [DLR Institute for Space Systems, Robert-Hooke-Str. 7, 28359 Bremen (Germany); Braxmaier, Claus [Center of Applied Space Technology and Microgravity (ZARM), University Bremen, Am Fallturm, 28359 Bremen (Germany); DLR Institute for Space Systems, Robert-Hooke-Str. 7, 28359 Bremen (Germany)

    2014-08-15

    Atom interferometry is an exciting tool to probe fundamental physics. It is considered especially apt to test the universality of free fall by using two different sorts of atoms. The increasing sensitivity required for this kind of experiment sets severe requirements on its environments, instrument control, and systematic effects. This can partially be mitigated by going to space as was proposed, for example, in the Spacetime Explorer and Quantum Equivalence Principle Space Test (STE-QUEST) mission. However, the requirements on the instrument are still very challenging. For example, the specifications of the STE-QUEST mission imply that the Feshbach coils of the atom interferometer are allowed to change their radius only by about 260 nm or 2.6 × 10{sup −4} % due to thermal expansion although they consume an average power of 22 W. Also Earth's magnetic field has to be suppressed by a factor of 10{sup 5}. We show in this article that with the right design such thermal and magnetic requirements can indeed be met and that these are not an impediment for the exciting physics possible with atom interferometers in space.

  17. Bremsstrahlung spectra for Al, Cs, and Au atoms in high-temperature, high-density plasmas

    International Nuclear Information System (INIS)

    Kim, L.; Pratt, R.H.; Tseng, H.K.

    1985-01-01

    Results are presented from a numerical calculation for the bremsstrahlung spectrum and Gaunt factors of Al, Cs, and Au atoms in high-temperature (-T), high-density (-rho) plasmas. Plasma temperatures kT = 0.1 and 1.0 keV and plasma densities rho = rho 0 (the normal solid density) and rho = 100rho 0 are considered. This allows us to determine the generality and identify the origins of features which we had previously identified in calculations for Cs. We also now present results for the total energy loss of an electron in such a plasma. We use a relativistic multipole code which treats the bremsstrahlung process as a single-electron transition in a static screened central potential. We take for the static potential corresponding to an atom in a hot dense plasma the finite-temperature, finite-density Thomas-Fermi model. This approach corresponds to an average atom in local thermodynamic equilibrium. In comparison to isolated-neutral-atom results we observe general suppression of cross sections and a particular suppression in the tip region of the spectrum. Within this model, both superscreening and shape resonances are found in the circumstances of extreme density. At more normal densities and except for the soft-photon end, the spectrum at these energies for an atom in a hot plasma (characterized by an average degree of ionization) can be well represented by the spectrum of the corresponding isolated ion, which has a similar potential shape at the distances which characterize the process

  18. A (201)Hg+ Comagnetometer for (199)Hg+ Trapped Ion Space Atomic Clocks

    Science.gov (United States)

    Burt, Eric A.; Taghavi, Shervin; Tjoelker, Robert L.

    2011-01-01

    A method has been developed for unambiguously measuring the exact magnetic field experienced by trapped mercury ions contained within an atomic clock intended for space applications. In general, atomic clocks are insensitive to external perturbations that would change the frequency at which the clocks operate. On a space platform, these perturbative effects can be much larger than they would be on the ground, especially in dealing with the magnetic field environment. The solution is to use a different isotope of mercury held within the same trap as the clock isotope. The magnetic field can be very accurately measured with a magnetic-field-sensitive atomic transition in the added isotope. Further, this measurement can be made simultaneously with normal clock operation, thereby not degrading clock performance. Instead of using a conventional magnetometer to measure ambient fields, which would necessarily be placed some distance away from the clock atoms, first order field-sensitive atomic transition frequency changes in the atoms themselves determine the variations in the magnetic field. As a result, all ambiguity over the exact field value experienced by the atoms is removed. Atoms used in atomic clocks always have an atomic transition (often referred to as the clock transition) that is sensitive to magnetic fields only in second order, and usually have one or more transitions that are first-order field sensitive. For operating parameters used in the (199)Hg(+) clock, the latter can be five orders of magnitude or more sensitive to field fluctuations than the clock transition, thereby providing an unambiguous probe of the magnetic field strength.

  19. Geotail observations of plasma sheet ion composition over 16 years: On variations of average plasma ion mass and O+ triggering substorm model

    Science.gov (United States)

    Nosé, M.; Ieda, A.; Christon, S. P.

    2009-07-01

    We examined long-term variations of ion composition in the plasma sheet, using energetic (9.4-212.1 keV/e) ion flux data obtained by the suprathermal ion composition spectrometer (STICS) sensor of the energetic particle and ion composition (EPIC) instrument on board the Geotail spacecraft. EPIC/STICS observations are available from 17 October 1992 for more than 16 years, covering the declining phase of solar cycle 22, all of solar cycle 23, and the early phase of solar cycle 24. This unprecedented long-term data set revealed that (1) the He+/H+ and O+/H+ flux ratios in the plasma sheet were dependent on the F10.7 index; (2) the F10.7 index dependence is stronger for O+/H+ than He+/H+; (3) the O+/H+ flux ratio is also weakly correlated with the ΣKp index; and (4) the He2+/H+ flux ratio in the plasma sheet appeared to show no long-term trend. From these results, we derived empirical equations related to plasma sheet ion composition and the F10.7 index and estimated that the average plasma ion mass changes from ˜1.1 amu during solar minimum to ˜2.8 amu during solar maximum. In such a case, the Alfvén velocity during solar maximum decreases to ˜60% of the solar minimum value. Thus, physical processes in the plasma sheet are considered to be much different between solar minimum and solar maximum. We also compared long-term variation of the plasma sheet ion composition with that of the substorm occurrence rate, which is evaluated by the number of Pi2 pulsations. No correlation or negative correlation was found between them. This result contradicts the O+ triggering substorm model, in which heavy ions in the plasma sheet increase the growth rate of the linear ion tearing mode and play an important role in localization and initiation of substorms. In contrast, O+ ions in the plasma sheet may prevent occurrence of substorms.

  20. X-ray determination of static displacements of atoms in alloyed Ni3Al

    International Nuclear Information System (INIS)

    Morinaga, M.; Sone, K.; Kamimura, T.; Ohtaka, K.; Yukawa, N.

    1988-01-01

    Single crystals of Ni 3 (Al, M) were grown by the Bridgman method, where M is Ti, V, Cr, Mn, Fe, Nb, Mo and Ta. The composition was controlled to be about Ni 75 Al 20 M 5 so that the alloying element, M, substitutes mainly for Al. With these crystals conventional X-ray structural analysis was performed. The measured static displacements of atoms from the average lattice points depended largely on the alloying elements and varied in the range 0.00-0.13 A for Ni atoms and 0.09-0.18 A for Al atoms. It was found that these atomic displacements correlated well with the atomic radius of the alloying element, M. For example, when the atomic radius of M is larger than that of Al, the static displacements are large for the atoms in the Al sublattice but small for the atoms in the Ni sublattice. By contrast, when the atomic radius of M is smaller than that of Al, the displacements are more enhanced in the Ni sublattice than in the Al sublattice. Thus, there is an interesting correlation between the atomic displacements in both the Al and Ni sublattices in the presence of alloying elements. This seems to be one of the characteristics of alloyed compounds with several sublattices. (orig.)

  1. Sub-Angstrom Atomic-Resolution Imaging of Heavy Atoms to Light Atoms

    Energy Technology Data Exchange (ETDEWEB)

    O' Keefe, Michael A.; Shao-Horn, Yang

    2003-05-23

    Three decades ago John Cowley and his group at ASU achieved high-resolution electron microscope images showing the crystal unit cell contents at better than 4Angstrom resolution. Over the years, this achievement has inspired improvements in resolution that have enabled researchers to pinpoint the positions of heavy atom columns within the cell. More recently, this ability has been extended to light atoms as resolution has improved. Sub-Angstrom resolution has enabled researchers to image the columns of light atoms (carbon, oxygen and nitrogen) that are present in many complex structures. By using sub-Angstrom focal-series reconstruction of the specimen exit surface wave to image columns of cobalt, oxygen, and lithium atoms in a transition metal oxide structure commonly used as positive electrodes in lithium rechargeable batteries, we show that the range of detectable light atoms extends to lithium. HRTEM at sub-Angstrom resolution will provide the essential role of experimental verification for the emergent nanotech revolution. Our results foreshadow those to be expected from next-generation TEMs with Cs-corrected lenses and monochromated electron beams.

  2. 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)

  3. The distribution and seasonal variations of diffuse fraction

    International Nuclear Information System (INIS)

    Anane-Fenin, K.

    1989-06-01

    A moving average approach is used to develop linear and polynomial regression models for the diffuse fraction averaged over 10, 15, 20 and 30 days. The correlations do not appear to be influenced by climate conditions or altitude. It is noted that the correlations vary with season. The time-dependent variations of the diffuse fraction correlations are examined by studying the residual differences between the measured diffuse fraction and those calculated from the over-all best-fit correlation. The residuals exhibit no pronounced pattern leading to the conclusion that the observed seasonal variation is caused by air mass and water vapour and that atmospheric turbidity plays little or no part. (author). 14 refs, 9 figs, 8 tabs

  4. Atom chips: mesoscopic physics with cold atoms

    International Nuclear Information System (INIS)

    Krueger, P.; Wildermuth, S.; Hofferberth, S.; Haller, E.; GAllego Garcia, D.; Schmiedmayer, J.

    2005-01-01

    Full text: Cold neutral atoms can be controlled and manipulated in microscopic potentials near surfaces of atom chips. These integrated micro-devices combine the known techniques of atom optics with the capabilities of well established micro- and nanofabrication technology. In analogy to electronic microchips and integrated fiber optics, the concept of atom chips is suitable to explore the domain of mesoscopic physics with matter waves. We use current and charge carrying structures to form complex potentials with high spatial resolution only microns from the surface. In particular, atoms can be confined to an essentially one-dimensional motion. In this talk, we will give an overview of our experiments studying the manipulation of both thermal atoms and BECs on atom chips. First experiments in the quasi one-dimensional regime will be presented. These experiments profit from strongly reduced residual disorder potentials caused by imperfections of the chip fabrication with respect to previously published experiments. This is due to our purely lithographic fabrication technique that proves to be advantageous over electroplating. We have used one dimensionally confined BECs as an ultra-sensitive probe to characterize these potentials. These smooth potentials allow us to explore various aspects of the physics of degenerate quantum gases in low dimensions. (author)

  5. Ionic double layer of atomically flat gold formed on mica templates

    International Nuclear Information System (INIS)

    Chilcott, Terry C.; Wong, Elicia L.S.; Coster, Hans G.L.; Coster, Adelle C.F.; James, Michael

    2009-01-01

    Electrical impedance spectroscopy characterisations of gold surfaces formed on mica templates in contact with potassium chloride electrolytes were performed at the electric potential of zero charge over a frequency range of 6 x 10 -3 to 100 x 10 3 Hz. They revealed constant-phase-angle (CPA) behaviour with a frequency exponent value of 0.96 for surfaces that were also characterised as atomically flat using atomic force microscopy (AFM). As the frequency exponent value was only marginally less than unity, the CPA behaviour yielded a realistic estimate for the capacitance of the ionic double layer. The retention of the CPA behaviour was attributed to specific adsorption of chloride ions which was detected as an adsorption conductance element in parallel with the CPA impedance element. Significant variations in the ionic double layer capacitance as well as the adsorption conductance were observed for electrolyte concentrations ranging from 33 μM to 100 mM, but neither of these variations correlated with concentration. This is consistent with the electrical properties of the interface deriving principally from the inner or Stern region of the double layer.

  6. Absorption imaging of ultracold atoms on atom chips

    DEFF Research Database (Denmark)

    Smith, David A.; Aigner, Simon; Hofferberth, Sebastian

    2011-01-01

    Imaging ultracold atomic gases close to surfaces is an important tool for the detailed analysis of experiments carried out using atom chips. We describe the critical factors that need be considered, especially when the imaging beam is purposely reflected from the surface. In particular we present...... methods to measure the atom-surface distance, which is a prerequisite for magnetic field imaging and studies of atom surface-interactions....

  7. Role of atom--atom inelastic collisions in two-temperature nonequilibrium plasmas

    International Nuclear Information System (INIS)

    Kunc, J.A.

    1987-01-01

    The contribution of inelastic atom--atom collisions to the production of electrons and excited atoms in two-temperature (with electron temperature T/sub e/, atomic temperature T/sub a/, and atomic density N/sub a/), steady-state, nonequilibrium atomic hydrogen plasma is investigated. The results are valid for plasmas having large amounts of atomic hydrogen as one of the plasma components, so that e--H and H--H inelastic collisions and interaction of these atoms with radiation dominate the production of electrons and excited hydrogen atoms. Densities of electrons and excited atoms are calculated in low-temperature plasma, with T/sub e/ and T/sub a/≤8000 K and 10 16 cm -3 ≤N/sub a/≤10 18 cm -3 , and with different degrees of the reabsorption of radiation. The results indicate that inelastic atom--atom collisions are important for production of electrons and excited atoms in partially ionized plasmas with medium and high atomic density and temperatures below 8000 K

  8. 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

  9. Quantum Monte-Carlo programming for atoms, molecules, clusters, and solids

    International Nuclear Information System (INIS)

    Schattke, Wolfgang; Diez Muino, Ricardo

    2013-01-01

    This is a book that initiates the reader into the basic concepts and practical applications of Quantum Monte Carlo. Because of the simplicity of its theoretical concept, the authors focus on the variational Quantum Monte Carlo scheme. The reader is enabled to proceed from simple examples as the hydrogen atom to advanced ones as the Lithium solid. In between, several intermediate steps are introduced, including the Hydrogen molecule (2 electrons), the Lithium atom (3 electrons) and expanding to an arbitrary number of electrons to finally treat the three-dimensional periodic array of Lithium atoms in a crystal. The book is unique, because it provides both theory and numerical programs. It pedagogically explains how to transfer into computational tools what is usually described in a theoretical textbook. It also includes the detailed physical understanding of methodology that cannot be found in a code manual. The combination of both aspects allows the reader to assimilate the fundamentals of Quantum Monte Carlo not only by reading but also by practice.

  10. Physical essence of the multibody contact-sliding at atomic scale

    Science.gov (United States)

    Han, Xuesong

    2014-01-01

    Investigation the multibody contact-sliding occurred at atomic discrete contact spot will play an important role in determine the origin of tribology behavior and evaluates the micro-mechanical property of nanomaterials and thus optimizing the design of surface texture. This paper carries out large scale parallel molecular dynamics simulation on contact-sliding at atomic scale to uncover the special physical essence. The research shows that some kind of force field exists between nanodot pair and the interaction can be expressed by the linear combination of exponential function while the effective interaction distance limited in 1 angstrom for nanodot with several tens of nanometer diameter. The variation tendency about the interaction force between nanodot array is almost the same between nanodot pairs and thus the interaction between two nanodot array can be characterized by parallel mechanical spring. Multibody effect which dominates the interaction between atoms or molecules will gradually diminish with the increasing of length scales.

  11. Calculating Relativistic Transition Matrix Elements for Hydrogenic Atoms Using Monte Carlo Methods

    Science.gov (United States)

    Alexander, Steven; Coldwell, R. L.

    2015-03-01

    The nonrelativistic transition matrix elements for hydrogen atoms can be computed exactly and these expressions are given in a number of classic textbooks. The relativistic counterparts of these equations can also be computed exactly but these expressions have been described in only a few places in the literature. In part, this is because the relativistic equations lack the elegant simplicity of the nonrelativistic equations. In this poster I will describe how variational Monte Carlo methods can be used to calculate the energy and properties of relativistic hydrogen atoms and how the wavefunctions for these systems can be used to calculate transition matrix elements.

  12. Lunar radionuclide records of average solar-cosmic-ray fluxes over the last ten million years

    International Nuclear Information System (INIS)

    Reedy, R.C.

    1980-01-01

    Because changes in solar activity can modify the fluxes of cosmic-ray particles in the solar system, the nature of the galactic and solar cosmic rays and their interactions with matter are described and used to study the ancient sun. The use of cosmogenic nuclides in meteorites and lunar samples as detectors of past cosmic-ray variations are discussed. Meteorite records of the history of the galactic cosmic rays are reviewed. The fluxes of solar protons over various time periods as determined from lunar radionuclide data are presented and examined. The intensities of solar protons emitted during 1954 to 1964 (11-year solar cycle number 19) were much larger than those for 1965 to 1975 (solar cycle 20). Average solar-proton fluxes determined for the last one to ten million years from lunar 26 Al and 53 Mn data show little variation and are similar to the fluxes for recent solar cycles. Lunar activities of 14 C (and preliminary results for 81 Kr) indicate that the average fluxes of solar protons over the last 10 4 (and 10 5 ) years are several times larger than those for the last 10 6 to 10 7 years; however, cross-section measurements and other work are needed to confirm these flux variations

  13. Universal quantum gates for photon-atom hybrid systems assisted by bad cavities

    Science.gov (United States)

    Wang, Guan-Yu; Liu, Qian; Wei, Hai-Rui; Li, Tao; Ai, Qing; Deng, Fu-Guo

    2016-01-01

    We present two deterministic schemes for constructing a CNOT gate and a Toffoli gate on photon-atom and photon-atom-atom hybrid quantum systems assisted by bad cavities, respectively. They are achieved by cavity-assisted photon scattering and work in the intermediate coupling region with bad cavities, which relaxes the difficulty of their implementation in experiment. Also, bad cavities are feasible for fast quantum operations and reading out information. Compared with previous works, our schemes do not need any auxiliary qubits and measurements. Moreover, the schematic setups for these gates are simple, especially that for our Toffoli gate as only a quarter wave packet is used to interact the photon with each of the atoms every time. These atom-cavity systems can be used as the quantum nodes in long-distance quantum communication as their relatively long coherence time is suitable for multi-time operations between the photon and the system. Our calculations show that the average fidelities and efficiencies of our two universal hybrid quantum gates are high with current experimental technology. PMID:27067992

  14. Fast and accurate grid representations for atom-based docking with partner flexibility.

    Science.gov (United States)

    de Vries, Sjoerd J; Zacharias, Martin

    2017-06-30

    Macromolecular docking methods can broadly be divided into geometric and atom-based methods. Geometric methods use fast algorithms that operate on simplified, grid-like molecular representations, while atom-based methods are more realistic and flexible, but far less efficient. Here, a hybrid approach of grid-based and atom-based docking is presented, combining precalculated grid potentials with neighbor lists for fast and accurate calculation of atom-based intermolecular energies and forces. The grid representation is compatible with simultaneous multibody docking and can tolerate considerable protein flexibility. When implemented in our docking method ATTRACT, grid-based docking was found to be ∼35x faster. With the OPLSX forcefield instead of the ATTRACT coarse-grained forcefield, the average speed improvement was >100x. Grid-based representations may allow atom-based docking methods to explore large conformational spaces with many degrees of freedom, such as multiple macromolecules including flexibility. This increases the domain of biological problems to which docking methods can be applied. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  15. Long-term variation of outdoor radon equilibrium equivalent concentration

    Energy Technology Data Exchange (ETDEWEB)

    Hoetzl, H. [GSF-Forschungszentrum fuer Umwelt und Gesundheit, Inst. fuer Strahlenschutz, Oberschleissheim (Germany); Winkler, R. [GSF-Forschungszentrum fuer Umwelt und Gesundheit, Inst. fuer Strahlenschutz, Oberschleissheim (Germany)

    1994-10-01

    Long-term variation of outdoor radon equilibrium equivalent concentration was investigated from 1982 to 1992 at a semi-natural location 10 km north of Munich, southern Germany. For this period the continuous measurement yielded a long-term average of 8.6 Bq.m{sup -3} (arithmetic mean) and 6.9 Bq.m{sup -3} (geometric mean), from which an average annual effective dose of 0.14 mSv due to outdoor radon can be derived. A long-term trend of the radon concentration was not detectable over the whole period of observation. However, by time series analysis, a long-term cyclic pattern was identified with two maxima (1984-1986, 1989-1991) and two minima (1982-1983, 1987-1988). The seasonal pattern is characterized by an autumn maximum and an early summer minimum. On average, the seasonal maximum in October was found to be higher by a factor of 2 than the June minimum. The diurnal variation of the radon concentration shows a maximum in the early morning and a minimum in the afternoon. On average, this maximum is a factor of 2 higher than the minimum. In the long term a seasonal pattern was observed for diurnal variation, with an average diurnal maximum to minimum ratio of 1.5 in winter compared with 3.5 in the summer months. The radon concentration is correlated with a meteorological parameter (stagnation index) which takes into account horizontal and vertical exchange processes and the wash-out of aerosols in the lower atmosphere. (orig.)

  16. Long-term variation of outdoor radon equilibrium equivalent concentration

    International Nuclear Information System (INIS)

    Hoetzl, H.; Winkler, R.

    1994-01-01

    Long-term variation of outdoor radon equilibrium equivalent concentration was investigated from 1982 to 1992 at a semi-natural location 10 km north of Munich, southern Germany. For this period the continuous measurement yielded a long-term average of 8.6 Bq.m -3 (arithmetic mean) and 6.9 Bq.m -3 (geometric mean), from which an average annual effective dose of 0.14 mSv due to outdoor radon can be derived. A long-term trend of the radon concentration was not detectable over the whole period of observation. However, by time series analysis, a long-term cyclic pattern was identified with two maxima (1984-1986, 1989-1991) and two minima (1982-1983, 1987-1988). The seasonal pattern is characterized by an autumn maximum and an early summer minimum. On average, the seasonal maximum in October was found to be higher by a factor of 2 than the June minimum. The diurnal variation of the radon concentration shows a maximum in the early morning and a minimum in the afternoon. On average, this maximum is a factor of 2 higher than the minimum. In the long term a seasonal pattern was observed for diurnal variation, with an average diurnal maximum to minimum ratio of 1.5 in winter compared with 3.5 in the summer months. The radon concentration is correlated with a meteorological parameter (stagnation index) which takes into account horizontal and vertical exchange processes and the wash-out of aerosols in the lower atmosphere. (orig.)

  17. Spatially resolved photoionization of ultracold atoms on an atom chip

    International Nuclear Information System (INIS)

    Kraft, S.; Guenther, A.; Fortagh, J.; Zimmermann, C.

    2007-01-01

    We report on photoionization of ultracold magnetically trapped Rb atoms on an atom chip. The atoms are trapped at 5 μK in a strongly anisotropic trap. Through a hole in the chip with a diameter of 150 μm, two laser beams are focused onto a fraction of the atomic cloud. A first laser beam with a wavelength of 778 nm excites the atoms via a two-photon transition to the 5D level. With a fiber laser at 1080 nm the excited atoms are photoionized. Ionization leads to depletion of the atomic density distribution observed by absorption imaging. The resonant ionization spectrum is reported. The setup used in this experiment is suitable not only to investigate mixtures of Bose-Einstein condensates and ions but also for single-atom detection on an atom chip

  18. Method for controlling a coolant liquid surface of cooling system instruments in an atomic power plant

    International Nuclear Information System (INIS)

    Monta, Kazuo.

    1974-01-01

    Object: To prevent coolant inventory within a cooling system loop in an atomic power plant from being varied depending on loads thereby relieving restriction of varied speed of coolant flow rate to lowering of a liquid surface due to short in coolant. Structure: Instruments such as a superheater, an evaporator, and the like, which constitute a cooling system loop in an atomic power plant, have a plurality of free liquid surface of coolant. Portions whose liquid surface is controlled and portions whose liquid surface is varied are adjusted in cross-sectional area so that the sum total of variation in coolant inventory in an instrument such as a superheater provided with an annulus portion in the center thereof and an inner cylindrical portion and a down-comer in the side thereof comes equal to that of variation in coolant inventory in an instrument such as an evaporator similar to the superheater. which is provided with an overflow pipe in its inner cylindrical portion or down-comer, thereby minimizing variation in coolant inventory of the entire coolant due to loads thus minimizing variation in varied speed of the coolant. (Kamimura, M.)

  19. Theory of inelastic ion-atom scattering at low and intermediate energies

    Science.gov (United States)

    Schmid, G. B.; Garcia, J. D.

    1977-01-01

    Ab initio calculations are presented of inelastic energy loss and ionization phenomena associated with Ar(+)-Ar collisions at small distances of closest approach and for laboratory collision energies ranging from several keV to several hundred keV. Outer-shell excitations are handled statistically; inner-shell excitations are calculated from the viewpoint of quasidiabatic molecular orbital promotion. Auger electron yield, average state of ionization, and average inelastic energy loss are calculated per collision as a function of distance of closest approach of the collision partners for several laboratory collision energies. Average charge-state probabilities per collision partner are calculated as a function of the average inelastic energy loss per atom. It is shown that the structure in the data is due to the underlying structure in the inner-shell independent-electron quasimolecular promotion probabilities.

  20. Variational principle in quantum mechanics

    International Nuclear Information System (INIS)

    Popiez, L.

    1986-01-01

    The variational principle in a standard, path integral formulation of quantum mechanics (as proposed by Dirac and Feynman) appears only in the context of a classical limit n to 0 and manifests itself through the method of abstract stationary phase. Symbolically it means that a probability amplitude averaged over trajectories denotes a classical evolution operator for points in a configuration space. There exists, however, the formulation of quantum dynamics in which variational priniple is one of basic postulates. It is explained that the translation between stochastic and quantum mechanics in this case can be understood as in Nelson's stochastic mechanics

  1. Sister chromatoid exchanges in atomic bomb survivors

    International Nuclear Information System (INIS)

    Nakano, Mimako; Awa, Akio

    1980-01-01

    Sister chromatoid exchange (SCE) frequencies in the peripheral lymphocyte with and without mitomycin-C (MMC) were studied, in the age of tens and thirties for an atomic-bomb survivor group and in thirties, fifties, and seventies for an unexposed group. The observation of 100 cells showed no statistically significant difference of SCE frequencies with aging or irradiation. The increasing rates of SCE frequencies by MMC showed no difference among the groups. The average increasing ratio by MMC was 3.6. (Nakanishi, T.)

  2. Local Atomic Structure and Discommensurations in the Charge Density Wave of CeTe{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kim, H J; Tomic, A T; Tessmer, S H; Billinge, S J.L. [Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824 (United States); Malliakas, C D; Kanatzidis, M G [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States)

    2006-06-09

    The local structure of CeTe{sub 3} in the incommensurate charge density wave (IC-CDW) state has been obtained using atomic pair distribution function analysis of x-ray diffraction data. Local atomic distortions in the Te nets due to the CDW are larger than observed crystallographically, resulting in distinct short and long Te-Te bonds. Observation of different distortion amplitudes in the local and average structures is explained by the discommensurated nature of the CDW, since the pair distribution function is sensitive to the local displacements within the commensurate regions, whereas the crystallographic result averages over many discommensurated domains. The result is supported by STM data. This is the first quantitative local structural study within the commensurate domains in an IC-CDW system.

  3. 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.)

  4. Quantum phase crossovers with finite atom number in the Dicke model

    International Nuclear Information System (INIS)

    Hirsch, J G; Castaños, O; Nahmad-Achar, E; López-Peña, R

    2013-01-01

    Two-level atoms interacting with a one-mode cavity field at zero temperature have order parameters which reflect the presence of a quantum phase transition at a critical value of the atom–cavity coupling strength. Two popular examples are the number of photons inside the cavity and the number of excited atoms. Coherent states provide a mean field description, which becomes exact in the thermodynamic limit. Employing symmetry-adapted (SA) SU(2) coherent states the quantum crossover, precursor of the critical behavior, can be described for a finite number of atoms. A variation after projection treatment, involving a numerical minimization of the SA energy surface, associates the quantum crossover with a discontinuity in the order parameters, which originates from competition between two local minima in the SA energy surface. Although this discontinuity is not present in finite systems, it provides a good description of 1/N effects in the observables. (paper)

  5. Liquid phase hot atom chemistry: At crossroads

    International Nuclear Information System (INIS)

    Rack, E.P.; Veterans Administration Medical Center, Omaha, NE

    1981-01-01

    The state of current research in liquid phase hot atom chemistry is discussed. Four classes of experimental approaches are high-lighted. These include 1) primary physical data for (n,γ)-activated 128 I, (I.T.)-activated 130 I and effects on chemical reactivity; 2) the density-variation technique involving iodine reactions with saturated and unsaturated hydrocarbons; 3) stereochemistry experiments on chlorocarbon molecules with single and multiple chiral centers; and 4) experiments employing dilute aqueous solutions of halogenerated biomolecules in the ice state, exposed to neutron irradiation. (orig.) [de

  6. A simple analytical model for electronic conductance in a one dimensional atomic chain across a defect

    International Nuclear Information System (INIS)

    Khater, Antoine; Szczesniak, Dominik

    2011-01-01

    An analytical model is presented for the electronic conductance in a one dimensional atomic chain across an isolated defect. The model system consists of two semi infinite lead atomic chains with the defect atom making the junction between the two leads. The calculation is based on a linear combination of atomic orbitals in the tight-binding approximation, with a single atomic one s-like orbital chosen in the present case. The matching method is used to derive analytical expressions for the scattering cross sections for the reflection and transmission processes across the defect, in the Landauer-Buttiker representation. These analytical results verify the known limits for an infinite atomic chain with no defects. The model can be applied numerically for one dimensional atomic systems supported by appropriate templates. It is also of interest since it would help establish efficient procedures for ensemble averages over a field of impurity configurations in real physical systems.

  7. Neutron resonance averaging

    International Nuclear Information System (INIS)

    Chrien, R.E.

    1986-10-01

    The principles of resonance averaging as applied to neutron capture reactions are described. Several illustrations of resonance averaging to problems of nuclear structure and the distribution of radiative strength in nuclei are provided. 30 refs., 12 figs

  8. Variation tolerant SoC design

    Science.gov (United States)

    Kozhikkottu, Vivek J.

    performance distribution. This task is particularly complex and challenging due to the inter-dependencies between components' execution, indirect effects of shared resources, and interactions between multiple system-level "execution paths". We argue that accurate variation-aware performance analysis requires Monte-Carlo based repeated system execution. Our proposed analysis framework leverages emulation to significantly speedup performance analysis without sacrificing the generality and accuracy achieved by Monte-Carlo based simulations. Our experiments show performance improvements of around 60x compared to state-of-the-art hardware-software co-simulation tools and also underscore the framework's potential to enable variation-aware design and exploration at the system level. Our second contribution addresses the problem of designing variation-tolerant SoCs using recovery based design, a popular circuit design paradigm that addresses variations by eliminating guard-bands and operating circuits at close to "zero margins" while detecting and recovering from timing errors. While previous efforts have demonstrated the potential benefits of recovery based design, we identify several challenges that need to be addressed in order to apply this technique to SoCs. We present a systematic design framework to apply recovery based design at the system level. We propose to partition SoCs into "recovery islands", wherein each recovery island consists of one or more SoC components that can recover independent of the rest of the SoC. We present a variation-aware design methodology that partitions a given SoC into recovery islands and computes the optimal operating points for each island, taking into account the various trade-offs involved. Our experiments demonstrate that the proposed design framework achieves an average of 32% energy savings over conventional worst-case designs, with negligible losses in performance. The third contribution of this thesis introduces disproportionate

  9. Atomic polarizabilities

    International Nuclear Information System (INIS)

    Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.

    2015-01-01

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed

  10. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)

    2015-01-22

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  11. Atomic physics

    CERN Document Server

    Foot, Christopher J

    2007-01-01

    This text will thoroughly update the existing literature on atomic physics. Intended to accompany an advanced undergraduate course in atomic physics, the book will lead the students up to the latest advances and the applications to Bose-Einstein Condensation of atoms, matter-wave inter-ferometry and quantum computing with trapped ions. The elementary atomic physics covered in the early chapters should be accessible to undergraduates when they are first introduced to the subject. To complement. the usual quantum mechanical treatment of atomic structure the book strongly emphasizes the experimen

  12. Estimating Cross-Site Impact Variation in the Presence of Heteroscedasticity

    Science.gov (United States)

    Bloom, Howard S.; Porter, Kristin E.; Weiss, Michael J.; Raudenbush, Stephen

    2013-01-01

    To date, evaluation research and policy analysis have focused mainly on average program impacts and paid little systematic attention to their variation. Recently, the growing number of multi-site randomized trials that are being planned and conducted make it increasingly feasible to study "cross-site" variation in impacts. Important…

  13. Assessment of the Average Price and Ethanol Content of Alcoholic Beverages by Brand – United States, 2011

    Science.gov (United States)

    DiLoreto, Joanna T.; Siegel, Michael; Hinchey, Danielle; Valerio, Heather; Kinzel, Kathryn; Lee, Stephanie; Chen, Kelsey; Shoaff, Jessica Ruhlman; Kenney, Jessica; Jernigan, David H.; DeJong, William

    2011-01-01

    Background There are no existing data on alcoholic beverage prices and ethanol content at the level of alcohol brand. A comprehensive understanding of alcohol prices and ethanol content at the brand level is essential for the development of effective public policy to reduce alcohol use among underage youth. The purpose of this study was to comprehensively assess alcoholic beverage prices and ethanol content at the brand level. Methods Using online alcohol price data from 15 control states and 164 online alcohol stores, we estimated the average alcohol price and percentage alcohol by volume for 900 brands of alcohol, across 17 different alcoholic beverage types, in the United States in 2011. Results There is considerable variation in both brand-specific alcohol prices and ethanol content within most alcoholic beverage types. For many types of alcohol, the within-category variation between brands exceeds the variation in average price and ethanol content among the several alcoholic beverage types. Despite differences in average prices between alcoholic beverage types, in 12 of the 16 alcoholic beverage types, customers can purchase at least one brand of alcohol that is under one dollar per ounce of ethanol. Conclusions Relying on data or assumptions about alcohol prices and ethanol content at the level of alcoholic beverage type is insufficient for understanding and influencing youth drinking behavior. Surveillance of alcohol prices and ethanol content at the brand level should become a standard part of alcohol research. PMID:22316218

  14. Systematics of atom-atom collision strengths at high speeds

    International Nuclear Information System (INIS)

    Gillespie, G.H.; Inokuti, M.

    1980-01-01

    The collision strengths for atom-atom collisions at high speeds are calculated in the first Born approximation. We studied four classes of collisions, distinguished depending upon whether each of the collision partners becomes excited or not. The results of numerical calculations of the collision strengths are presented for all neutral atoms with Z< or =18. The calculations are based on atomic form factors and incoherent scattering functions found in the literature. The relative contribution of each class of collision processes to the total collision cross section is examined in detail. In general, inelastic processes dominate for low-Z atoms, while elastic scattering is more important for large Z. Other systematics of the collision strengths are comprehensively discussed. The relevant experimental literature has been surveyed and the results of this work for the three collision systems H-He, He-He, and H-Ar are compared with the data for electron-loss processes. Finally, suggestions are made for future work in measurements of atom-atom and ion-atom collision cross sections

  15. Atomic Absorption, Atomic Fluorescence, and Flame Emission Spectrometry.

    Science.gov (United States)

    Horlick, Gary

    1984-01-01

    This review is presented in six sections. Sections focus on literature related to: (1) developments in instrumentation, measurement techniques, and procedures; (2) performance studies of flames and electrothermal atomizers; (3) applications of atomic absorption spectrometry; (4) analytical comparisons; (5) atomic fluorescence spectrometry; and (6)…

  16. Quantitative compositional analysis and field-evaporation behavior of ordered Ni4Mo on an atomic plane-by-plane basis: an atom-probe field-ion microscope study. MSC report No. 4802

    International Nuclear Information System (INIS)

    Yamamoto, M.; Seidman, D.N.

    1982-10-01

    The (211) fundamental and (101) superlattice planes, of the bct lattice, were analysed chemically on an atomic plane-by-plane basis. It was demonstrated that the composition of each individual plane can be determined as a function of depth without any ambiguity. The overall average Mo concentration was measured to be 17.1 at. % for the (211) fundamental plane. Details of the field evaporation behavior of the (211) fundamental and (101) superlattice planes were studied. The field-evaporation behavior is described in terms of the field-evaporation rate, the order of the field evaporated ions, etc. Each individual atomic plane field evaporated on an atomic plane-by-plane basis for the (211) fundamental plane. While for (101) superlattice plane a group of planes consisting of one plane of Mo atoms and four planes of Ni atoms field-evaporated as a unit. An abnormal increase in the number of Mo atoms was found in the central portion of the (211) fundamental plane. Possible mechanisms for the abnormal field evaporation rate are discussed. It is concluded that the atom probe technique can be used to follow the physics and chemistry of the field-evaporation process and the chemistry of the alloy as a function of position, on a subnanometer scale, throughout the specimen. 13 figures

  17. 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.)

  18. 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

  19. Atomic mirrors for a Λ-type three-level atom

    International Nuclear Information System (INIS)

    Felemban, Nuha; Aldossary, Omar M; Lembessis, Vassilis E

    2014-01-01

    We propose atom mirror schemes for a three-level atom of Λ-type interacting with two evanescent fields, which are generated as a result of the total internal reflection of two coherent Gaussian laser beams at the interface of a dielectric prism with vacuum. The forces acting on the atom are derived by means of optical Bloch equations, based on the atomic density matrix elements. The theory is illustrated by setting up the equations of motion for 23 Na atom. Two types of excited schemes are examined, namely the cases in which the evanescent fields have polarization types of σ + −σ − and σ + −π. The equations are solved numerically and we get results for atomic trajectories for different parameters. The performance of the mirror for the two types of polarization schemes is quantified and discussed. The possibility of reflecting atoms at pre-determined directions is also discussed. (paper)

  20. High-resolution measurements of x rays from ion-atom collisions

    International Nuclear Information System (INIS)

    Knudson, A.R.

    1974-01-01

    High resolution measurements of K x-ray spectra produced by ion-atom collisions at MeV energies are presented. These measurements indicate that a distribution of L-shell vacancies accompanies K-shell excitation. The variation of these spectra as a function of incident ion energy and atomic number is discussed. Difficulties in the analysis of these spectra due to rearrangement of vacancies between the time of the collision and the time of x-ray emission are considered. The use of high resolution x-ray measurements to obtain information on projectile ion vacancy configurations is demonstrated by data for Ar ions in KCl. X-ray spectra from Al projectiles in a variety of targets were measured and the effect of target composition on these spectra is discussed

  1. Magnetic trapping of spin-polarized neutral atoms at its limits

    International Nuclear Information System (INIS)

    Shapiro, V.E.

    1995-01-01

    We investigated the limits of magnetic methods of trapping neutral atoms in a spot of small size and small polarization misalignment. The analysis covers various methods of trapping with static and rotating magnetic field. In particular, new rotating field methods having advantages are proposed. They differ from the recently invented 'top' type by employing a slow rotating field, resonant to the orbiting atoms, rather than much faster rotation. Also a theory of the top trap is developed. It elucidates important features of trapping lying beyond the time-averaged potential concept. General criteria on the trapping temperature as a function of size and misalignment parameters are established for various methods. (author). 8 refs., 2 figs

  2. [Correlation of intraocular pressure variation after visual field examination with 24-hour intraocular pressure variations in primary open-angle glaucoma].

    Science.gov (United States)

    Noro, Takahiko; Nakamoto, Kenji; Sato, Makoto; Yasuda, Noriko; Ito, Yoshinori; Ogawa, Shumpei; Nakano, Tadashi; Tsuneoka, Hiroshi

    2014-10-01

    We retrospectively examined intraocular pressure variations after visual field examination in primary open angle glaucoma (POAG), together with its influencing factors and its association with 24-hour intraocular pressure variations. Subjects were 94 eyes (52 POAG patients) subjected to measurements of 24-hour intraocular pressure and of changes in intraocular pressure after visual field examination using a Humphrey Visual Field Analyzer. Subjects were classified into three groups according to the magnitude of variation (large, intermediate and small), and 24-hour intraocular pressure variations were compared among the three groups. Factors influencing intraocular pressure variations after visual field examination and those associated with the large variation group were investigated. Average intraocular pressure variation after visual field examination was -0.28 ± 1.90 (range - 6.0(-) + 5.0) mmHg. No significant influencing factors were identified. The intraocular pressure at 3 a.m. was significantly higher in the large variation group than other two groups (p field examination. Increases in intraocular pressure during the night might be associated with large intraocular pressure variations after visual field examination.

  3. Quasi-atoms

    International Nuclear Information System (INIS)

    Armbruster, P.

    1976-01-01

    The concept of a quasi-atom is discussed, and several experiments are described in which molecular or quasi-atomic transitions have been observed. X-ray spectra are shown for these experiments in which heavy ion projectiles were incident on various targets and the resultant combined system behaved as a quasi-atom. This rapidly developing field has already given new insight into atomic collision phenomena. (P.J.S.)

  4. Stochastic process variation in deep-submicron CMOS circuits and algorithms

    CERN Document Server

    Zjajo, Amir

    2014-01-01

    One of the most notable features of nanometer scale CMOS technology is the increasing magnitude of variability of the key device parameters affecting performance of integrated circuits. The growth of variability can be attributed to multiple factors, including the difficulty of manufacturing control, the emergence of new systematic variation-generating mechanisms, and most importantly, the increase in atomic-scale randomness, where device operation must be described as a stochastic process. In addition to wide-sense stationary stochastic device variability and temperature variation, existence of non-stationary stochastic electrical noise associated with fundamental processes in integrated-circuit devices represents an elementary limit on the performance of electronic circuits. In an attempt to address these issues, Stochastic Process Variation in Deep-Submicron CMOS: Circuits and Algorithms offers unique combination of mathematical treatment of random process variation, electrical noise and temperature and ne...

  5. Atomic fusion, Gerrard atomic fusion

    International Nuclear Information System (INIS)

    Gerrard, T.H.

    1980-01-01

    In the approach to atomic fusion described here the heat produced in a fusion reaction, which is induced in a chamber by the interaction of laser beams and U.H.F. electromagnetic beams with atom streams, is transferred to a heat exchanger for electricity generation by a coolant flowing through a jacket surrounding the chamber. (U.K.)

  6. Dual-component model of respiratory motion based on the periodic autoregressive moving average (periodic ARMA) method

    International Nuclear Information System (INIS)

    McCall, K C; Jeraj, R

    2007-01-01

    A new approach to the problem of modelling and predicting respiration motion has been implemented. This is a dual-component model, which describes the respiration motion as a non-periodic time series superimposed onto a periodic waveform. A periodic autoregressive moving average algorithm has been used to define a mathematical model of the periodic and non-periodic components of the respiration motion. The periodic components of the motion were found by projecting multiple inhale-exhale cycles onto a common subspace. The component of the respiration signal that is left after removing this periodicity is a partially autocorrelated time series and was modelled as an autoregressive moving average (ARMA) process. The accuracy of the periodic ARMA model with respect to fluctuation in amplitude and variation in length of cycles has been assessed. A respiration phantom was developed to simulate the inter-cycle variations seen in free-breathing and coached respiration patterns. At ±14% variability in cycle length and maximum amplitude of motion, the prediction errors were 4.8% of the total motion extent for a 0.5 s ahead prediction, and 9.4% at 1.0 s lag. The prediction errors increased to 11.6% at 0.5 s and 21.6% at 1.0 s when the respiration pattern had ±34% variations in both these parameters. Our results have shown that the accuracy of the periodic ARMA model is more strongly dependent on the variations in cycle length than the amplitude of the respiration cycles

  7. Speckle reduction in optical coherence tomography images based on wave atoms

    Science.gov (United States)

    Du, Yongzhao; Liu, Gangjun; Feng, Guoying; Chen, Zhongping

    2014-01-01

    Abstract. Optical coherence tomography (OCT) is an emerging noninvasive imaging technique, which is based on low-coherence interferometry. OCT images suffer from speckle noise, which reduces image contrast. A shrinkage filter based on wave atoms transform is proposed for speckle reduction in OCT images. Wave atoms transform is a new multiscale geometric analysis tool that offers sparser expansion and better representation for images containing oscillatory patterns and textures than other traditional transforms, such as wavelet and curvelet transforms. Cycle spinning-based technology is introduced to avoid visual artifacts, such as Gibbs-like phenomenon, and to develop a translation invariant wave atoms denoising scheme. The speckle suppression degree in the denoised images is controlled by an adjustable parameter that determines the threshold in the wave atoms domain. The experimental results show that the proposed method can effectively remove the speckle noise and improve the OCT image quality. The signal-to-noise ratio, contrast-to-noise ratio, average equivalent number of looks, and cross-correlation (XCOR) values are obtained, and the results are also compared with the wavelet and curvelet thresholding techniques. PMID:24825507

  8. Resonant excitation of uranium atoms by an argon ion laser

    Energy Technology Data Exchange (ETDEWEB)

    Maeyama, H; Morikawa, M; Aihara, Y; Mochizuki, T; Yamanaka, C [Osaka Univ. (Japan)

    1979-03-01

    Photoionization of uranium atoms by UV lines, 3511 A and 3345 A, of an argon ion laser was observed and attributed due to resonant two-photon ionization. The dependence of the photoion currents on laser power was measured in focusing and non-focusing modes of laser beam, which has enabled us to obtain an absorption cross section and an ionization cross section independently. The orders of magnitude of these cross sections averaged over the fine structure were determined to be 10/sup -14/ cm/sup 2/ and 10/sup -17/ cm/sup 2/ respectively from a rate equation model. Resonance between 3511-A laser line and the absorption line of uranium isotopes was also confirmed by the ionization spectra obtained by near-single-frequency operation of the ion laser, which allowed the isotopic selective excitation of the uranium atoms. The maximum value of the enrichment of /sup 235/U was about 14%. The isotope separation of uranium atoms by this resonant excitation has been discussed.

  9. Passive magnetic bearing systems stabilizer/bearing utilizing time-averaging of a periodic magnetic field

    Science.gov (United States)

    Post, Richard F.

    2017-10-03

    A high-stiffness stabilizer/bearings for passive magnetic bearing systems is provide where the key to its operation resides in the fact that when the frequency of variation of the repelling forces of the periodic magnet array is large compared to the reciprocal of the growth time of the unstable motion, the rotating system will feel only the time-averaged value of the force. When the time-averaged value of the force is radially repelling by the choice of the geometry of the periodic magnet array, the Earnshaw-related unstable hit motion that would occur at zero rotational speed is suppressed when the system is rotating at operating speeds.

  10. 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.)

  11. Derivation of a volume-averaged neutron diffusion equation; Atomos para el desarrollo de Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Vazquez R, R.; Espinosa P, G. [UAM-Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, Mexico D.F. 09340 (Mexico); Morales S, Jaime B. [UNAM, Laboratorio de Analisis en Ingenieria de Reactores Nucleares, Paseo Cuauhnahuac 8532, Jiutepec, Morelos 62550 (Mexico)]. e-mail: rvr@xanum.uam.mx

    2008-07-01

    This paper presents a general theoretical analysis of the problem of neutron motion in a nuclear reactor, where large variations on neutron cross sections normally preclude the use of the classical neutron diffusion equation. A volume-averaged neutron diffusion equation is derived which includes correction terms to diffusion and nuclear reaction effects. A method is presented to determine closure-relationships for the volume-averaged neutron diffusion equation (e.g., effective neutron diffusivity). In order to describe the distribution of neutrons in a highly heterogeneous configuration, it was necessary to extend the classical neutron diffusion equation. Thus, the volume averaged diffusion equation include two corrections factor: the first correction is related with the absorption process of the neutron and the second correction is a contribution to the neutron diffusion, both parameters are related to neutron effects on the interface of a heterogeneous configuration. (Author)

  12. Winter-to-winter variations in indoor radon

    International Nuclear Information System (INIS)

    Mose, D.G.; Mushrush, G.W.; Kline, S.W.

    1989-01-01

    Indoor radon concentrations in northern Virginia and central Maryland show a strong dependence on weather. Winter tends to be associated with higher than average indoor radon, and summer with lower than average. However, compared to the winter of 1986-1987, the winter of 1987-1988 was warmer and drier. Consequently, winter-to-winter indoor radon decreased by about 25%. This winter-to-winter decrease is unexpectedly large, and simulates winter-to-summer variations that have been reported

  13. Effect of periodic temperature variations on the microstructure of neutron-irradiated metals

    DEFF Research Database (Denmark)

    Zinkle, S.J.; Hashimoto, N.; Hoelzer, D.T.

    2002-01-01

    Specimens of pure copper, a high purity austenitic stainless steel, and V–4Cr–4Ti were exposed to eight cycles of either constant temperature or periodic temperature variations during neutron irradiation in the High Flux Isotopes Reactor to a cumulative damage level of 4–5 displacements per atom.......-induced microstructural features consisted of dislocation loops, stacking fault tetrahedra and voids in the stainless steel, Ti-rich precipitates in the V alloy, and voids (along with a low density of stacking fault tetrahedra) in copper.......Specimens of pure copper, a high purity austenitic stainless steel, and V–4Cr–4Ti were exposed to eight cycles of either constant temperature or periodic temperature variations during neutron irradiation in the High Flux Isotopes Reactor to a cumulative damage level of 4–5 displacements per atom....... Specimens exposed to periodic temperature variations experienced a low temperature (360 °C) during the initial 10% of accrued dose in each of the eight cycles, and a higher temperature (520 °C) during the remaining 90% of accrued dose in each cycle. The microstructures of the irradiated stainless steel...

  14. Interaction of slow and highly charged ions with surfaces: formation of hollow atoms

    Energy Technology Data Exchange (ETDEWEB)

    Stolterfoht, N; Grether, M; Spieler, A; Niemann, D [Hahn-Meitner Institut, Berlin (Germany). Bereich Festkoerperphysik; Arnau, A

    1997-03-01

    The method of Auger spectroscopy was used to study the interaction of highly charged ions with Al and C surfaces. The formation of hollow Ne atoms in the first surface layers was evaluated by means of a Density Functional theory including non-linear screening effects. The time-dependent filling of the hollow atom was determined from a cascade model yielding information about the structure of the K-Auger spectra. Variation of total intensities of the L- and K-Auger peaks were interpreted by the cascade model in terms of attenuation effects on the electrons in the solid. (author)

  15. Conduction of molecular electronic devices: Qualitative insights through atom-atom polarizabilities

    International Nuclear Information System (INIS)

    Stuyver, T.; Fias, S.; De Proft, F.; Geerlings, P.; Fowler, P. W.

    2015-01-01

    The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability

  16. Conduction of molecular electronic devices: Qualitative insights through atom-atom polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Stuyver, T.; Fias, S., E-mail: sfias@vub.ac.be; De Proft, F.; Geerlings, P. [ALGC, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussel (Belgium); Fowler, P. W. [Department of Chemistry, University of Sheffield, Sheffield S3 7HF (United Kingdom)

    2015-03-07

    The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.

  17. Conduction of molecular electronic devices: qualitative insights through atom-atom polarizabilities.

    Science.gov (United States)

    Stuyver, T; Fias, S; De Proft, F; Fowler, P W; Geerlings, P

    2015-03-07

    The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.

  18. Understanding ensemble protein folding at atomic detail

    International Nuclear Information System (INIS)

    Wallin, Stefan; Shakhnovich, Eugene I

    2008-01-01

    Although far from routine, simulating the folding of specific short protein chains on the computer, at a detailed atomic level, is starting to become a reality. This remarkable progress, which has been made over the last decade or so, allows a fundamental aspect of the protein folding process to be addressed, namely its statistical nature. In order to make quantitative comparisons with experimental kinetic data a complete ensemble view of folding must be achieved, with key observables averaged over the large number of microscopically different folding trajectories available to a protein chain. Here we review recent advances in atomic-level protein folding simulations and the new insight provided by them into the protein folding process. An important element in understanding ensemble folding kinetics are methods for analyzing many separate folding trajectories, and we discuss techniques developed to condense the large amount of information contained in an ensemble of trajectories into a manageable picture of the folding process. (topical review)

  19. 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

  20. Average energetic ion flux variations associated with geomagnetic activity from EPIC/STICS on Geotail

    Science.gov (United States)

    Christon, S. P.; Gloeckler, G.; Eastman, T. E.; McEntire, R. W.; Roelef, E. C.; Lui, A. T. Y.; Williams, D. J.; Frank, L. A.; Paterson, W. R.; Kokubun, S.; hide

    1996-01-01

    The magnetotail ion flux measurements from the Geotail spacecraft are analyzed both with and without the application of selection criteria that identify the plasma regime in which an observation is obtained. The different results are compared with each other. The initial results on the changes of energetic ion flux and composition correlated to average substorm activity in different magnetotail plasma regimes are discussed. The energetic ions are measured using the energetic particles and ion composition (EPIC) experiment and the suprathermal ion composition spectrometer (STICS). The plasma, wave and field instruments of the Geotail satellite were used to identify the principle magnetotail plasma regimes of plasma sheet, lobe, and magnetospheric boundary layer, as well as the magnetosheath and solar wind. Energetic O and H ions were observed in all the plasma regimes.

  1. Magnetic atom optics: mirrors, guides, traps, and chips for atoms

    Energy Technology Data Exchange (ETDEWEB)

    Hinds, E.A.; Hughes, I.G. [Sussex Centre for Optical and Atomic Physics, University of Sussex, Brighton (United Kingdom)

    1999-09-21

    For the last decade it has been possible to cool atoms to microkelvin temperatures ({approx}1 cm s{sup -1}) using a variety of optical techniques. Light beams provide the very strong frictional forces required to slow atoms from room temperature ({approx}500 m s{sup -1}). However, once the atoms are cold, the relatively weak conservative forces of static electric and magnetic fields play an important role. In our group we have been studying the interaction of cold rubidium atoms with periodically magnetized data storage media. Here we review the underlying principles of the forces acting on atoms above a suitably magnetized substrate or near current-carrying wires. We also summarize the status of experiments. These structures can be used as smooth or corrugated reflectors for controlling the trajectories of cold atoms. Alternatively, they may be used to confine atoms to a plane, a line, or a dot and in some cases to reach the quantum limit of confinement. Atoms levitated above a magnetized surface can be guided electrostatically by wires deposited on the surface. The flow and interaction of atoms in such a structure may form the basis of a new technology, 'integrated atom optics' which might ultimately be capable of realizing a quantum computer. (author)

  2. Average Gait Differential Image Based Human Recognition

    Directory of Open Access Journals (Sweden)

    Jinyan Chen

    2014-01-01

    Full Text Available The difference between adjacent frames of human walking contains useful information for human gait identification. Based on the previous idea a silhouettes difference based human gait recognition method named as average gait differential image (AGDI is proposed in this paper. The AGDI is generated by the accumulation of the silhouettes difference between adjacent frames. The advantage of this method lies in that as a feature image it can preserve both the kinetic and static information of walking. Comparing to gait energy image (GEI, AGDI is more fit to representation the variation of silhouettes during walking. Two-dimensional principal component analysis (2DPCA is used to extract features from the AGDI. Experiments on CASIA dataset show that AGDI has better identification and verification performance than GEI. Comparing to PCA, 2DPCA is a more efficient and less memory storage consumption feature extraction method in gait based recognition.

  3. AN INVESTIGATION OF THE VARIATION OF PORE STRUCTURE IN EUCALYPTUS FIBRE DURING RECYCLING

    Directory of Open Access Journals (Sweden)

    Wen Jie Guo

    2011-04-01

    Full Text Available Variation in the pore structure of eucalyptus fibre during recycling was investigated using low-temperature nitrogen adsorption, atomic force microscopy (AFM, and fractal geometry. The Brunauer- Emmett-Teller (BET surface area of the fibre fell to 55.1% of the original value after the first cycle, and to 49.0% after the second cycle, ultimately declining to 35.0% after the fourth. The Barret-Joyner- Halenda (BJH adsorption cumulative pore volume fell to 38.4% of the original by the fourth. After four cycles, the average pore diameter fell to 82% of the original. AFM tests showed that the pore structure in fibre expressed high self-similarity in statistics, and the pore structure in the fibre could be regarded as a fractal. Fractal geometry analysis of the results showed that the fractal dimension of eucalyptus virgin fibre is 2.954. With the number of process cycles increasing, the fractal dimension fell to a minimum of 2.886 after four cycles. The water retention value (WRV of the fibre was proportional to the fractal dimension and the crystallinity of fibre.

  4. Low energy atom-atom collisions

    International Nuclear Information System (INIS)

    Child, M.S.

    1980-01-01

    The semiclassical theory of atom-atom potential scattering and of low energy inelastic atom-atom scattering is reviewed. Particular attention is given to the origin and interpretation of rainbow structure, diffraction oscillations and exchange oscillations in the potential scattering differential cross-section, and to the glory structure and symmetry oscillations in the integral cross-section. Available methods for direct inversion of the cross-section data to recover the potential are reviewed in some detail. The theory of non-adiabatic transitions is introduced by a short discussion of interaction mechanisms and of diabetic and adiabatic representations. Analytical S matrix elements are presented for two state curve-crossing (Landau-Zener-Stuckelberg), Demkov and Nikitin models. The relation between Stuckelberg oscillations in the S matrix and in the differential cross-section is discussed in terms of interference between trajectories belonging to two different classical deflection functions. The energy dependences of the inelastic integral cross-section for curve-crossing and Demkov type transitions are also discussed. Finally the theory is reviewed in relation to a recent close-coupled study of fine structure transitions in F( 2 P) + Xe( 2 S) scattering

  5. Electronic and atomic disorder in icosahedral AlPdRe

    International Nuclear Information System (INIS)

    Rapp, Oe; Karkin, A A; Goshchitskii, B N; Voronin, V I; Srinivas, V; Poon, S J

    2008-01-01

    Relations between electronic and atomic disorder of i-AlPdRe have been investigated by studies of neutron irradiated and annealed samples. The advantage with this technique is that a single sample can be monitored over a significant range of varying electronic properties, without concern for any influence of varying impurities. X-ray diffraction, the electrical resistivity and its temperature dependence, and the magnetoresistance are studied. The results show that annealings of an irradiated sample lead to improvement of the atomic order, as reflected in increased intensities of the x-ray diffraction peaks, while electronic properties change in the direction of increasing electronic disorder towards a metal-insulator transition. The observed relation in quasicrystals that improved atomic structure is associated with stronger anomalies in transport properties is thus also seen in i-AlPdRe. In particular, the variation of the diffusion constant in the region of small values of the resistivity is found to be similar for annealed polygrain samples and for single grain samples with varying Pd concentration, as evaluated from literature data, indicating a similar development of electronic disorder in both sets of samples. However, the problem remains as to why the resistivity is small in single grain samples which are atomically well-ordered. The possibility of a strong sensitivity to concentration differences is pointed out

  6. 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

  7. Molecular dynamics simulation of amplitude modulation atomic force microscopy

    International Nuclear Information System (INIS)

    Hu, Xiaoli; Martini, Ashlie; Egberts, Philip; Dong, Yalin

    2015-01-01

    Molecular dynamics (MD) simulations were used to model amplitude modulation atomic force microscopy (AM-AFM). In this novel simulation, the model AFM tip responds to both tip–substrate interactions and to a sinusoidal excitation signal. The amplitude and phase shift of the tip oscillation observed in the simulation and their variation with tip–sample distance were found to be consistent with previously reported trends from experiments and theory. These simulation results were also fit to an expression enabling estimation of the energy dissipation, which was found to be smaller than that in a corresponding experiment. The difference was analyzed in terms of the effects of tip size and substrate thickness. Development of this model is the first step toward using MD to gain insight into the atomic-scale phenomena that occur during an AM-AFM measurement. (paper)

  8. High Recharge Areas in the Choushui River Alluvial Fan (Taiwan Assessed from Recharge Potential Analysis and Average Storage Variation Indexes

    Directory of Open Access Journals (Sweden)

    Jui-Pin Tsai

    2015-03-01

    Full Text Available High recharge areas significantly influence the groundwater quality and quantity in regional groundwater systems. Many studies have applied recharge potential analysis (RPA to estimate groundwater recharge potential (GRP and have delineated high recharge areas based on the estimated GRP. However, most of these studies define the RPA parameters with supposition, and this represents a major source of uncertainty for applying RPA. To objectively define the RPA parameter values without supposition, this study proposes a systematic method based on the theory of parameter identification. A surrogate variable, namely the average storage variation (ASV index, is developed to calibrate the RPA parameters, because of the lack of direct GRP observations. The study results show that the correlations between the ASV indexes and computed GRP values improved from 0.67 before calibration to 0.85 after calibration, thus indicating that the calibrated RPA parameters represent the recharge characteristics of the study area well; these data also highlight how defining the RPA parameters with ASV indexes can help to improve the accuracy. The calibrated RPA parameters were used to estimate the GRP distribution of the study area, and the GRP values were graded into five levels. High and excellent level areas are defined as high recharge areas, which composed 7.92% of the study area. Overall, this study demonstrates that the developed approach can objectively define the RPA parameters and high recharge areas of the Choushui River alluvial fan, and the results should serve as valuable references for the Taiwanese government in their efforts to conserve the groundwater quality and quantity of the study area.

  9. Observation of the Borromean Three-Body Förster Resonances for Three Interacting Rb Rydberg Atoms.

    Science.gov (United States)

    Tretyakov, D B; Beterov, I I; Yakshina, E A; Entin, V M; Ryabtsev, I I; Cheinet, P; Pillet, P

    2017-10-27

    Three-body Förster resonances at long-range interactions of Rydberg atoms were first predicted and observed in Cs Rydberg atoms by Faoro et al. [Nat. Commun. 6, 8173 (2015)NCAOBW2041-172310.1038/ncomms9173]. In these resonances, one of the atoms carries away an energy excess preventing the two-body resonance, leading thus to a Borromean type of Förster energy transfer. But they were in fact observed as the average signal for the large number of atoms N≫1. In this Letter, we report on the first experimental observation of the three-body Förster resonances 3×nP_{3/2}(|M|)→nS_{1/2}+(n+1)S_{1/2}+nP_{3/2}(|M^{*}|) in a few Rb Rydberg atoms with n=36, 37. We have found here clear evidence that there is no signature of the three-body Förster resonance for exactly two interacting Rydberg atoms, while it is present for N=3-5 atoms. This demonstrates the assumption that three-body resonances can generalize to any Rydberg atom. As such resonance represents an effective three-body operator, it can be used to directly control the three-body interactions in quantum simulations and quantum information processing with Rydberg atoms.

  10. Endogenous Sheet-Averaged Tension Within a Large Epithelial Cell Colony.

    Science.gov (United States)

    Dumbali, Sandeep P; Mei, Lanju; Qian, Shizhi; Maruthamuthu, Venkat

    2017-10-01

    Epithelial cells form quasi-two-dimensional sheets that function as contractile media to effect tissue shape changes during development and homeostasis. Endogenously generated intrasheet tension is a driver of such changes, but has predominantly been measured in the presence of directional migration. The nature of epithelial cell-generated forces transmitted over supracellular distances, in the absence of directional migration, is thus largely unclear. In this report, we consider large epithelial cell colonies which are archetypical multicell collectives with extensive cell-cell contacts but with a symmetric (circular) boundary. Using the traction force imbalance method (TFIM) (traction force microscopy combined with physical force balance), we first show that one can determine the colony-level endogenous sheet forces exerted at the midline by one half of the colony on the other half with no prior assumptions on the uniformity of the mechanical properties of the cell sheet. Importantly, we find that this colony-level sheet force exhibits large variations with orientation-the difference between the maximum and minimum sheet force is comparable to the average sheet force itself. Furthermore, the sheet force at the colony midline is largely tensile but the shear component exhibits significantly more variation with orientation. We thus show that even an unperturbed epithelial colony with a symmetric boundary shows significant directional variation in the endogenous sheet tension and shear forces that subsist at the colony level.

  11. Effective linear two-body method for many-body problems in atomic and nuclear physics

    International Nuclear Information System (INIS)

    Kim, Y.E.; Zubarev, A.L.

    2000-01-01

    We present an equivalent linear two-body method for the many body problem, which is based on an approximate reduction of the many-body Schroedinger equation by the use of a variational principle. The method is applied to several problems in atomic and nuclear physics. (author)

  12. Mechanism of yttrium atom formation in electrothermal atomization from metallic and metal-carbide surfaces of a heated graphite atomizer in atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Wahab, H.S.; Chakrabarti, C.L.

    1981-01-01

    Mechanism of Y atom formation from pyrocoated graphite, tantalum and tungsten metal surfaces of a graphite tube atomizer has been studied and a mechanism for the formation for Y atoms is proposed for the first time. (author)

  13. Atomic Physics 16: Sixteenth International Conference on Atomic Physics. Proceedings

    International Nuclear Information System (INIS)

    Baylis, W.E.; Drake, G.W.

    1999-01-01

    These proceedings represent papers presented at the 16th International Conference on Atomic Physics held in Windsor, Ontario, Canada, in August, 1998. The topics discussed included a wide array of subjects in atomic physics such as atom holography, alignment in atomic collisions, coulomb-interacting particles, muon experiments, x-rays from comets, atomic electron collisions in intense laser fields, spectroscopy of trapped ions, and Bose-Einstein condensates. This conference represents the single most important meeting world wide on fundamental advances in atomic physics. There were 30 papers presented at the conference,out of which 4 have been abstracted for the Energy, Science and Technology database

  14. Mode instability in one-dimensional anharmonic lattices: Variational equation approach

    Science.gov (United States)

    Yoshimura, K.

    1999-03-01

    The stability of normal mode oscillations has been studied in detail under the single-mode excitation condition for the Fermi-Pasta-Ulam-β lattice. Numerical experiments indicate that the mode stability depends strongly on k/N, where k is the wave number of the initially excited mode and N is the number of degrees of freedom in the system. It has been found that this feature does not change when N increases. We propose an average variational equation - approximate version of the variational equation - as a theoretical tool to facilitate a linear stability analysis. It is shown that this strong k/N dependence of the mode stability can be explained from the view point of the linear stability of the relevant orbits. We introduce a low-dimensional approximation of the average variational equation, which approximately describes the time evolution of variations in four normal mode amplitudes. The linear stability analysis based on this four-mode approximation demonstrates that the parametric instability mechanism plays a crucial role in the strong k/N dependence of the mode stability.

  15. Fast, High-Precision Optical Polarization Synthesizer for Ultracold-Atom Experiments

    Science.gov (United States)

    Robens, Carsten; Brakhane, Stefan; Alt, Wolfgang; Meschede, Dieter; Zopes, Jonathan; Alberti, Andrea

    2018-03-01

    We present a technique for the precision synthesis of arbitrary polarization states of light with a high modulation bandwidth. Our approach consists of superimposing two laser light fields with the same wavelength, but with opposite circular polarizations, where the phase and the amplitude of each light field are individually controlled. We find that the polarization-synthesized beam reaches a degree of polarization of 99.99%, which is mainly limited by static spatial variations of the polarization state over the beam profile. We also find that the depolarization caused by temporal fluctuations of the polarization state is about 2 orders of magnitude smaller. In a recent work, Robens et al. [Low-Entropy States of Neutral Atoms in Polarization-Synthesized Optical Lattices, Phys. Rev. Lett. 118, 065302 (2017), 10.1103/PhysRevLett.118.065302] demonstrated an application of the polarization synthesizer to create two independently controllable optical lattices which trap atoms depending on their internal spin state. We use ultracold atoms in polarization-synthesized optical lattices to give an independent, in situ demonstration of the performance of the polarization synthesizer.

  16. Angular finite volume method for solving the multigroup transport equation with piecewise average scattering cross sections

    International Nuclear Information System (INIS)

    Calloo, A.; Vidal, J.F.; Le Tellier, R.; Rimpault, G.

    2011-01-01

    This paper deals with the solving of the multigroup integro-differential form of the transport equation for fine energy group structure. In that case, multigroup transfer cross sections display strongly peaked shape for light scatterers and the current Legendre polynomial expansion is not well-suited to represent them. Furthermore, even if considering an exact scattering cross sections representation, the scattering source in the discrete ordinates method (also known as the Sn method) being calculated by sampling the angular flux at given directions, may be wrongly computed due to lack of angular support for the angular flux. Hence, following the work of Gerts and Matthews, an angular finite volume solver has been developed for 2D Cartesian geometries. It integrates the multigroup transport equation over discrete volume elements obtained by meshing the unit sphere with a product grid over the polar and azimuthal coordinates and by considering the integrated flux per solid angle element. The convergence of this method has been compared to the S_n method for a highly anisotropic benchmark. Besides, piecewise-average scattering cross sections have been produced for non-bound Hydrogen atoms using a free gas model for thermal neutrons. LWR lattice calculations comparing Legendre representations of the Hydrogen scattering multigroup cross section at various orders and piecewise-average cross sections for this same atom are carried out (while keeping a Legendre representation for all other isotopes). (author)

  17. When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms.

    Science.gov (United States)

    Petković, Milena; Nakarada, Đura; Etinski, Mihajlo

    2018-05-25

    Interacting Quantum Atoms methodology is used for a detailed analysis of hydrogen abstraction reaction from hydroquinone by methoxy radical. Two pathways are analyzed, which differ in the orientation of the reactants at the corresponding transition states. Although the discrepancy between the two barriers amounts to only 2 kJ/mol, which implies that the two pathways are of comparable probability, the extent of intra-atomic and inter-atomic energy changes differs considerably. We thus demonstrated that Interacting Quantum Atoms procedure can be applied to unravel distinct energy transfer routes in seemingly similar mechanisms. Identification of energy components with the greatest contribution to the variation of the overall energy (intra-atomic and inter-atomic terms that involve hydroquinone's oxygen and the carbon atom covalently bound to it, the transferring hydrogen and methoxy radical's oxygen), is performed using the Relative energy gradient method. Additionally, the Interacting Quantum Fragments approach shed light on the nature of dominant interactions among selected fragments: both Coulomb and exchange-correlation contributions are of comparable importance when considering interactions of the transferring hydrogen atom with all other atoms, whereas the exchange-correlation term dominates interaction between methoxy radical's methyl group and hydroquinone's aromatic ring. This study represents one of the first applications of Interacting Quantum Fragments approach on first order saddle points. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  18. Polarization-induced interference within electromagnetically induced transparency for atoms of double-V linkage

    Science.gov (United States)

    Sun, Yuan; Liu, Chang; Chen, Ping-Xing; Liu, Liang

    2018-02-01

    People have been paying attention to the role of atoms' complex internal level structures in the research of electromagnetically induced transparency (EIT) for a long time, where the various degenerate Zeeman levels usually generate complex linkage patterns for the atomic transitions. It turns out, with special choices of the atomic states and the atomic transitions' linkage structure, clear signatures of quantum interference induced by the probe and coupling light's polarizations can emerge from a typical EIT phenomena. We propose to study a four-state system with double-V linkage pattern for the transitions and analyze the polarization-induced interference under the EIT condition. We show that such interference arises naturally under mild conditions on the optical field and atom manipulation techniques. Moreover, we construct a variation form of double-M linkage pattern where the polarization-induced interference enables polarization-dependent cross modulation between incident weak lights that can be effective even at the few-photon level. The theme is to gain more insight into the essential question: how can we build a nontrivial optical medium where incident lights experience polarization-dependent nonlinear optical interactions, valid for a wide range of incidence intensities down to the few-photon level?

  19. Metastable argon atom density in complex argon/acetylene plasmas determined by means of optical absorption and emission spectroscopy

    International Nuclear Information System (INIS)

    Sushkov, Vladimir; Herrendorf, Ann-Pierra; Hippler, Rainer

    2016-01-01

    Optical emission and absorption spectroscopy has been utilized to investigate the instability of acetylene-containing dusty plasmas induced by growing nano-particles. The density of Ar(1s 5 ) metastable atoms was derived by two methods: tunable diode laser absorption spectroscopy and with the help of the branching ratio method of emitted spectral lines. Results of the two techniques agree well with each other. The density of Ar(1s 3 ) metastable atoms was also measured by means of optical emission spectroscopy. The observed growth instability leads to pronounced temporal variations of the metastable and other excited state densities. An analysis of optical line ratios provides evidence for a depletion of free electrons during the growth cycle but no indication for electron temperature variations. (paper)

  20. Atlas cross section for scattering of muonic hydrogen atoms on hydrogen isotope molecules

    International Nuclear Information System (INIS)

    Adamczak, A.; Faifman, M.P.; Ponomarev, L.I.

    1996-01-01

    The total cross sections of the elastic, spin-flip, and charge-exchange processes for the scattering of muonic hydrogen isotope atoms (pμ, dμ, tμ) in the ground state on the hydrogen isotope molecules (H 2 , D 2 , T 2 , HD, HT, DT) are calculated. The scattering cross sections of muonic hydrogen isotope atoms on hydrogen isotope nuclei obtained earlier in the multichannel adiabatic approach are used in the calculations. Molecular effects (electron screening, rotational and vibrational excitations of target molecules, etc.) are taken into account. The spin effects of the target molecules and of the incident muonic atoms are included. the cross sections are averaged over the Boltzmann distribution of the molecule rotational states and the Maxwellian distribution of the target molecule kinetic energies for temperatures 30, 100, 300, and 1000 K. The cross sections are given for kinetic energies of the incident muonic atoms ranging from 0.001 to 100 eV in the laboratory frame. 45 refs., 6 tabs

  1. The Brazilian time and frequency atomic standards program

    Directory of Open Access Journals (Sweden)

    Mushtaq Ahmed

    2008-06-01

    Full Text Available Cesium atomic beam clocks have been the workhorse for many demanding applications in science and technology for the past four decades. Tests of the fundamental laws of physics and the search for minute changes in fundamental constants, the synchronization of telecommunication networks, and realization of the satellite-based global positioning system would not be possible without atomic clocks. The adoption of optical cooling and trapping techniques, has produced a major advance in atomic clock precision. Cold-atom fountain and compact cold-atom clocks have also been developed. Measurement precision of a few parts in 10(15 has been demonstrated for a cold-atom fountain clock. We present here an overview of the time and frequency metrology program based on cesium atoms under development at USP São Carlos. This activity consists of construction and characterization of atomic-beam, and several variations of cold-atom clocks. We discuss the basic working principles, construction, evaluation, and important applications of atomic clocks in the Brazilian program.Relógios atômicos de feixe de Césio têm sido a base para diversas aplicações em ciência e tecnologia nas últimas quatro décadas. Testes de leis fundamentais de física, buscas por mínimas variações em constantes fundamentais, sincronização de redes de telecomunicações e o funcionamento do sistema de posicionamento global, baseado em satélites de navegação, não seriam possíveis sem os relógios atômicos. A adoção de técnicas de aprisionamento e resfriamento ópticos tem permitido um grande avanço na precisão dos relógios atômicos. Chafarizes de átomos frios e relógios compactos de átomos frios também têm sido desenvolvidos. Precisões de medida de algumas partes em 1015 foram demonstradas para relógios do tipo chafariz de átomos frios. Apresentamos uma visão geral do programa de metrologia de tempo e freqüência baseado em átomos de césio, em

  2. Contribution to the theoretical study of collisions between highly excited atom and a neutral particle (atom or molecule)

    International Nuclear Information System (INIS)

    Prunele, Eugene de.

    1979-01-01

    The problem of the collision between an atom in the Rydberg state and a neutral atom (or molecule) is considerably simplified if it is considered as the collision of a B particle with a system of two linked particles A + and e - . If the interaction between these two particles is described by a potential and if the three-body interaction is approximated by a potential equal to the sum of the two-body interaction potentials, the problem is theoretically solvable exactly within the framework of quantum mechanics but, its explicit solution is very complicated, even for very simple potentials. Various types of approaches are then necessary. The choice of interaction potentials is already an approximation, for it is obviously not known how to describe exactly the interaction between the electron and atom B for example. The fact that the electron is, on average, very far from core A + has enabled an interaction potential to be simulated between B and e - when the latter is linked to A + , by utilizing the scattering data between free e - and B. (Fermi's pseudopotential). A second approach consists in utilizing the scattering data between free e - and B, without bringing in an interaction potential between e - and B. The first approach is more satisfactory from the theoretical point of view; the second and less ambitious one is more useful [fr

  3. Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation.

    Science.gov (United States)

    Irwin, Benedict W J; Huggins, David J

    2018-05-08

    We present a general method called atom-wise free energy perturbation (AFEP), which extends a conventional molecular dynamics free energy perturbation (FEP) simulation to give the contribution to a free energy change from each atom. AFEP is derived from an expansion of the Zwanzig equation used in the exponential averaging method by defining that the system total energy can be partitioned into contributions from each atom. A partitioning method is assumed and used to group terms in the expansion to correspond to individual atoms. AFEP is applied to six example free energy changes to demonstrate the method. Firstly, the hydration free energies of methane, methanol, methylamine, methanethiol, and caffeine in water. AFEP highlights the atoms in the molecules that interact favorably or unfavorably with water. Finally AFEP is applied to the binding free energy of human immunodeficiency virus type 1 protease to lopinavir, and AFEP reveals the contribution of each atom to the binding free energy, indicating candidate areas of the molecule to improve to produce a more strongly binding inhibitor. FEP gives a single value for the free energy change and is already a very useful method. AFEP gives a free energy change for each "part" of the system being simulated, where part can mean individual atoms, chemical groups, amino acids, or larger partitions depending on what the user is trying to measure. This method should have various applications in molecular dynamics studies of physical, chemical, or biochemical phenomena, specifically in the field of computational drug discovery.

  4. Valter Ritz as a theoretical physicist and his research on atomic spectra theory

    International Nuclear Information System (INIS)

    El'yashevich, M.A.; Kemberovskaya, N.G.; Tomil'chik, L.M.

    1995-01-01

    The article presents a historic-methodological analysis of the scientific heritage of an outstanding Swiss physicist Walter Ritz (1878-1909); the analysis is based on the study of a complete collection of his works published in 1911. In addition to a general description of Ritz's works which comprise publications in spectroscopy, variational method and electrodynamics, the article deals in detail with this fundamental research into atomic spectra theory. Elastic and magnetic model of the atom proposed by Ritz for explaining atomic spectra within the framework of the classical approach are discussed. It is shown that the generalized formulas of Balmer and Rydbery, as well as the combination principle which served later as a basis for formalting Bohr's condition of frequencies, were derived by Ritz as regions corollaries of this models and were out of semiempiric nature, as was assumed. 124 refs

  5. High Fidelity Preparation of a Single Atom in Its 2D Center of Mass Ground State

    Science.gov (United States)

    Sompet, Pimonpan; Fung, Yin Hsien; Schwartz, Eyal; Hunter, Matthew D. J.; Phrompao, Jindaratsamee; Andersen, Mikkel F.

    2017-04-01

    Complete control over quantum states of individual atoms is important for the study of the microscopic world. Here, we present a push button method for high fidelity preparation of a single 85Rb atom in the vibrational ground state of tightly focused optical tweezers. The method combines near-deterministic preparation of a single atom with magnetically-insensitive Raman sideband cooling. We achieve 2D cooling in the radial plane with a ground state population of 0.85, which provides a fidelity of 0.7 for the entire procedure (loading and cooling). The Raman beams couple two sublevels (| F = 3 , m = 0 〉 and | F = 2 , m = 0 〉) that are indifferent to magnetic noise to first order. This leads to long atomic coherence times, and allows us to implement the cooling in an environment where magnetic field fluctuations prohibit previously demonstrated variations. Additionally, we implement the trapping and manipulation of two atoms confined in separate dynamically reconfigurable optical tweezers, to study few-body dynamics.

  6. Variational derivation of a time-dependent Hartree-Fock Hamiltonian

    International Nuclear Information System (INIS)

    Lichtner, P.C.; Griffin, J.J.; Schultheis, H.; Schultheis, R.; Volkov, A.B.

    1979-01-01

    The variational derivation of the time-dependent Hartree-Fock equation is reviewed. When norm-violating variations are included, a unique time-dependent Hartree-Fock Hamiltonian, which differs from that customarily used in time-dependent Hartree-Fock analyses, is implied. This variationally ''true'' Hartree-Fock Hamiltonian has the same expectation value as the exact Hamiltonian, equal to the average energy of the system. Since this quantity remains constant under time-dependent Hartree-Fock time evolution, we suggest the label ''constant '' for this form of time-dependent Hartree-Fock theory

  7. Comparison of student success using "atoms first" versus "traditional" curricula

    Science.gov (United States)

    Hillesheim, Christina S.

    The purpose of this study was to investigate the difference between the "atoms first" and the "traditional" curricula. Specifically focusing on which curriculum better aligns to curricular expectations, leads to higher student success when students are grouped together, and when students are differentiated based on several factors. The main difference between the two approaches being the sequence of topics presented in the first semester general chemistry course. This study involves more than 9,500 general chemistry I and II students over 7 semesters with about half of them being taught using the "atoms first" approach. Student success was measured using the American Chemical Society's (ACS) final examination scores and the final letter grades. Alignment to curricular expectations was determined via a qualitative review of textbooks written for each of the approaches. This showed that the "atoms first" approach better aligns to research supported best practices. An analysis of covariance (ANCOVA) was performed to determine if there is a significant difference between the "atoms first" and the "traditional" curricula. The "traditional" approach was found to lead to higher student achievement for both measures of student success in both chemistry I and II courses. Lastly, multiple linear, multinomial logistic, and binary logistic regressions were run using all of the subgroups---gender, race/ethnicity, major, ACT composite, math ACT, overall GPA, and classroom size---as predictor variables to determine if any significant interactions between the curricular methods and the different subgroups existed. Results found that the relationship between gender, GPA, and classroom size groupings significantly impact student achievement in general chemistry. Specifically, the "traditional" approach lead to higher student success compared to the "atoms first" approach for males, females, below average GPA students, above average GPA students, and students in large classroom

  8. A low-cost vaporization-atomization system for atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Bruhn F, C.G.; Ambiado V, F.; Woerner V, R.

    1990-01-01

    A low-cost vaporization-atomization system for atomic absorption spectrometry is developed as an alternative to the use of a graphite furnace in electrothermal atomic absorption spectrometry. (Author)

  9. Variational coupling between q-number and c-number dynamics

    International Nuclear Information System (INIS)

    Amaral, C.M. do; Joffily, S.

    1984-01-01

    The time-dependent quantum variational principle is generalized for the case of hamiltonian operators having real parameters and their time derivates. The obtained variational system is formed by a Schroedinger equation coupled to a Lagrange equation system, where the lagrangian is the average value of the parametrized hamiltonian operator. The consequent dynamics of the variational principle, describes the interaction between a q-number sub-dynamics with a c-number sub-dynamics. In the ((h/2π)) 0 -order W.K.B. approximation, the variational system reduces to a Hamilton-Jacobi-like equation, coupled to a Lagrange equation family. The formal features of the obtained variational system are appropriated for the description of, adiabatics and non-adiabatics, time-dependent q-number c-number interactions. (L.C.) [pt

  10. Atom localization via controlled spontaneous emission in a five-level atomic system

    International Nuclear Information System (INIS)

    Wang Zhiping; Yu Benli; Zhu Jun; Cao Zhigang; Zhen Shenglai; Wu Xuqiang; Xu Feng

    2012-01-01

    We investigate the one- and two-dimensional atom localization behaviors via spontaneous emission in a coherently driven five-level atomic system by means of a radio-frequency field driving a hyperfine transition. It is found that the detecting probability and precision of atom localization behaviors can be significantly improved via adjusting the system parameters. More importantly, the two-dimensional atom localization patterns reveal that the maximal probability of finding an atom within the sub-wavelength domain of the standing waves can reach unity when the corresponding conditions are satisfied. As a result, our scheme may be helpful in laser cooling or the atom nano-lithography via atom localization. - Highlights: ► One- and two-dimensional atom localization behaviors via spontaneous emission in five-level atoms are investigated. ► An assisting radio-frequency field is used to control the atom localization behaviors. ► High-precision and high-resolution two-dimensional atom localization can be realized in this scheme.

  11. Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices

    International Nuclear Information System (INIS)

    Cramer, M.; Eisert, J.; Illuminati, F.

    2004-01-01

    We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices

  12. Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices.

    Science.gov (United States)

    Cramer, M; Eisert, J; Illuminati, F

    2004-11-05

    We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices.

  13. 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

  14. Multidimensional and interference effects in atom trapping by a cavity field

    International Nuclear Information System (INIS)

    Vukics, A; Domokos, P; Ritsch, H

    2004-01-01

    We study the trapping of a driven two-level atom in a strongly coupled single-mode cavity field. The cavity can significantly enhance the cooling in the direction perpendicular to the cavity axis and thus the standard Doppler-cooling scheme together with a transverse high-finesse resonator yields long trapping times up to the range of seconds. By the addition of a weak cavity pump, trapping can be achieved in the direction of the cavity axis as well. The system is sensitive to the relative phase of the atomic and cavity pumps due to the interference of the fields injected and scattered into the cavity mode. Variation of the phase difference leads to a switching between two possible trap positions along the cavity axis

  15. Atomic Fisher information versus atomic number

    International Nuclear Information System (INIS)

    Nagy, A.; Sen, K.D.

    2006-01-01

    It is shown that the Thomas-Fermi Fisher information is negative. A slightly more sophisticated model proposed by Gaspar provides a qualitatively correct expression for the Fisher information: Gaspar's Fisher information is proportional to the two-third power of the atomic number. Accurate numerical calculations show an almost linear dependence on the atomic number

  16. On Averaging Rotations

    DEFF Research Database (Denmark)

    Gramkow, Claus

    1999-01-01

    In this article two common approaches to averaging rotations are compared to a more advanced approach based on a Riemannian metric. Very offten the barycenter of the quaternions or matrices that represent the rotations are used as an estimate of the mean. These methods neglect that rotations belo...... approximations to the Riemannian metric, and that the subsequent corrections are inherient in the least squares estimation. Keywords: averaging rotations, Riemannian metric, matrix, quaternion......In this article two common approaches to averaging rotations are compared to a more advanced approach based on a Riemannian metric. Very offten the barycenter of the quaternions or matrices that represent the rotations are used as an estimate of the mean. These methods neglect that rotations belong...

  17. Atomic-fluorescence spectrophotometry

    International Nuclear Information System (INIS)

    Bakhturova, N.F.; Yudelevich, I.G.

    1975-01-01

    Atomic-fluorescence spectrophotometry, a comparatively new method for the analysis of trace quantities, has developed rapidly in the past ten years. Theoretical and experimental studies by many workers have shown that atomic-fluorescence spectrophotometry (AFS) is capable of achieving a better limit than atomic absorption for a large number of elements. The present review examines briefly the principles of atomic-fluorescence spectrophotometry and the types of fluorescent transition. The excitation sources, flame and nonflame atomizers, used in AFS are described. The limits of detection achieved up to the present, using flame and nonflame methods of atomization are given

  18. Optically polarized atoms understanding light-atom interactions

    CERN Document Server

    Auzinsh, Marcis; Rochester, Simon M

    2010-01-01

    This book is addressed at upper-level undergraduate and graduate students involved in research in atomic, molecular, and optical Physics. It will also be useful to researchers practising in this field. It gives an intuitive, yet sufficiently detailed and rigorous introduction to light-atom interactions with a particular emphasis on the symmetry aspects of the interaction, especially those associated with the angular momentum of atoms and light. The book will enable readers to carryout practical calculations on their own, and is richly illustrated with examples drawn from current research topic

  19. Preparation of rifampicin/poly(d,l-lactice) nanoparticles for sustained release by supercritical assisted atomization technique

    CSIR Research Space (South Africa)

    Labuschagne, Philip W

    2014-11-01

    Full Text Available In this work supercritical assisted atomization (SAA) process was used for the co-precipitation of poly(d,l-lactide) (PDLLA) and rifampicin (RIF) as nanoparticles for sustained release applications. The effect of the variation of PDLLA/RIF ratio...

  20. Vibrational deactivation and atom exchange in O(3P)+CO(X 1Σ+) collisions

    International Nuclear Information System (INIS)

    Kelley, J.D.; Thommarson, R.L.

    1977-01-01

    A quasiclassical Monte Carlo averaged trajectory study of the ground-state O, CO collision system is presented. An ''effective'' adiabatic potential surface is constructed using pertinent theoretical and experimental data. Vibrational deactivation rates for CO(v=1, 3) and atom exchange rates for CO(v=0, 1, 3) are calculated and compared with experimental data. The high-temperature (400 K< T<2000 K) and low-temperature (270 K< T<400 K) CO deactivation data, and the low-temperature (300 K< T<400 K) atom exchange data are all fit reasonably well by the calculation. However, comparison of the deactivation data to the atom exchange data suggests that at temperatures below 400 K an additional nonadiabatic mechanism may be contributing to the overall deactivation rate

  1. Average niche breadths of species in lake macrophyte communities respond to ecological gradients variably in four regions on two continents.

    Science.gov (United States)

    Alahuhta, Janne; Virtala, Antti; Hjort, Jan; Ecke, Frauke; Johnson, Lucinda B; Sass, Laura; Heino, Jani

    2017-05-01

    Different species' niche breadths in relation to ecological gradients are infrequently examined within the same study and, moreover, species niche breadths have rarely been averaged to account for variation in entire ecological communities. We investigated how average environmental niche breadths (climate, water quality and climate-water quality niches) in aquatic macrophyte communities are related to ecological gradients (latitude, longitude, altitude, species richness and lake area) among four distinct regions (Finland, Sweden and US states of Minnesota and Wisconsin) on two continents. We found that correlations between the three different measures of average niche breadths and ecological gradients varied considerably among the study regions, with average climate and average water quality niche breadth models often showing opposite trends. However, consistent patterns were also found, such as widening of average climate niche breadths and narrowing of average water quality niche breadths of aquatic macrophytes along increasing latitudinal and altitudinal gradients. This result suggests that macrophyte species are generalists in relation to temperature variations at higher latitudes and altitudes, whereas species in southern, lowland lakes are more specialised. In contrast, aquatic macrophytes growing in more southern nutrient-rich lakes were generalists in relation to water quality, while specialist species are adapted to low-productivity conditions and are found in highland lakes. Our results emphasise that species niche breadths should not be studied using only coarse-scale data of species distributions and corresponding environmental conditions, but that investigations on different kinds of niche breadths (e.g., climate vs. local niches) also require finer resolution data at broad spatial extents.

  2. Time variation of the fine structure constant driven by quintessence

    International Nuclear Information System (INIS)

    Anchordoqui, Luis; Goldberg, Haim

    2003-01-01

    There are indications from the study of quasar absorption spectra that the fine structure constant α may have been measurably smaller for redshifts z>2. Analyses of other data ( 149 Sm fission rate for the Oklo natural reactor, variation of 187 Re β-decay rate in meteorite studies, atomic clock measurements) which probe variations of α in the more recent past imply much smaller deviations from its present value. In this work we tie the variation of α to the evolution of the quintessence field proposed by Albrecht and Skordis, and show that agreement with all these data, as well as consistency with Wilkinson Microwave Anisotropy Probe observations, can be achieved for a range of parameters. Some definite predictions follow for upcoming space missions searching for violations of the equivalence principle

  3. Time Variations of the Spectral Indices of the Suprathermal Distribution as observed by WIND/STICS

    Science.gov (United States)

    Gruesbeck, J. R.; Christian, E. R.; Lepri, S. T.; Thomas, J.; Zurbuchen, T.; Gloeckler, G.

    2011-12-01

    Suprathermal particle spectra, measured in various regions of the heliosphere and heliosheath by Ulysses, ACE and Voyager, have recently been reported. In many cases long accumulation times had to be used to obtain sufficient statistical accuracy, and corrections were necessary, since only a fraction of phase space was measured. The SupraThermal Ion Composition Spectrometer (STICS), onboard Wind, enables observations of the suprathermal plasma in the solar wind at much higher time resolution. In addition, the STICS samples nearly full three-dimensional phase space, enabling measurements of anisotropies. We present a multi-year investigation of the spectral index of the suprathermal distribution, accumulated over 1 day and less, where we see significant time variation. An average lower bound value of the spectral index is at ~ -5, however, there are time periods during which the observed distributions steepen. We will also present an analysis of time and spatial variations of the suprathermal particle fluxes, observed by STICS and other instruments. In particular, we will compare the observed variability with predictions from a model by Bochsler and Moebius, based on data of the Interstellar Boundary Explorer (IBEX), who postulated that energetic neutral atoms, from outside of the heliosheath, which then penetrate the inner heliosphere and are finally ionized, could be a source of the very suprathermal populations we observe.

  4. Concerning the theory of radiation cascades of atomic collisions in a solid with an arbitrary interatomic interaction potential

    International Nuclear Information System (INIS)

    Ryazanov, A.I.; Metelkin, E.V.

    1980-01-01

    Cascades of atomic collisions created by high energy particles as a result of irradiation of solids by them are considered. The solution of the problem is based on the investigation of the Boltzmann stationary kinetic equation for moving atoms. For this equation a model scattering indicatrix is constructed with an arbitrary form of the potential of interaction of moving atoms with lattice atoms. The choice of the model scattering indicatrix of atoms is determined by the normalization, the average energy loss in a single collision and by the deviation of the energy losses really occurring in the collision from the mean value, as well as by the initial kinetic equation for moving atoms. The energy distribution of moving atoms for arbitrary interatomic interaction potentials has been obtained using the constructed model scattering indicatrix. On the basis of the theory constructed a cascade is calculated with an interatomic interaction potential in the form of the Thomas-Fermi potential and the power potential. (author)

  5. Average-energy games

    Directory of Open Access Journals (Sweden)

    Patricia Bouyer

    2015-09-01

    Full Text Available Two-player quantitative zero-sum games provide a natural framework to synthesize controllers with performance guarantees for reactive systems within an uncontrollable environment. Classical settings include mean-payoff games, where the objective is to optimize the long-run average gain per action, and energy games, where the system has to avoid running out of energy. We study average-energy games, where the goal is to optimize the long-run average of the accumulated energy. We show that this objective arises naturally in several applications, and that it yields interesting connections with previous concepts in the literature. We prove that deciding the winner in such games is in NP inter coNP and at least as hard as solving mean-payoff games, and we establish that memoryless strategies suffice to win. We also consider the case where the system has to minimize the average-energy while maintaining the accumulated energy within predefined bounds at all times: this corresponds to operating with a finite-capacity storage for energy. We give results for one-player and two-player games, and establish complexity bounds and memory requirements.

  6. Semi-annual Sq-variation in solar activity cycle

    Science.gov (United States)

    Pogrebnoy, V.; Malosiev, T.

    The peculiarities of semi-annual variation in solar activity cycle have been studied. The data from observatories having long observational series and located in different latitude zones were used. The following observatories were selected: Huancayo (magnetic equator), from 1922 to 1959; Apia (low latitudes), from 1912 to 1961; Moscow (middle latitudes), from 1947 to 1965. Based on the hourly values of H-components, the average monthly diurnal amplitudes (a difference between midday and midnight values), according to five international quiet days, were computed. Obtained results were compared with R (relative sunspot numbers) in the ranges of 0-30R, 40-100R, and 140-190R. It was shown, that the amplitude of semi-annual variation increases with R, from minimum to maximum values, on average by 45%. At equatorial Huancayo observatory, the semi-annual Sq(H)-variation appears especially clearly: its maximums take place at periods of equinoxes (March-April, September-October), and minimums -- at periods of solstices (June-July, December-January). At low (Apia observatory) and middle (Moscow observatory) latitudes, the character of semi-annual variation is somewhat different: it appears during the periods of equinoxes, but considerably less than at equator. Besides, with the growth of R, semi-annual variation appears against a background of annual variation, in the form of second peaks (maximum in June). At observatories located in low and middle latitudes, second peaks become more appreciable with an increase of R (March-April and September-October). During the periods of low solar activity, they are insignificant. This work has been carried out with the support from International Scientific and Technology Center (Project #KR-214).

  7. Decay of long-lived autoionization atomic states in atom collisions

    International Nuclear Information System (INIS)

    Krakov, B.G.

    1994-01-01

    Radiationless decay of long-lived autoionization states of helium atoms in atom collisions is investigated. It is shown that the states may decay in atom collisions due to softening of the selection rules

  8. 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)

  9. Ab initio calculation atomics ground state wave function for interactions Ion- Atom

    International Nuclear Information System (INIS)

    Shojaee, F.; Bolori zadeh, M. A.

    2007-01-01

    Ab initio calculation atomics ground state wave function for interactions Ion- Atom Atomic wave function expressed in a Slater - type basis obtained within Roothaan- Hartree - Fock for the ground state of the atoms He through B. The total energy is given for each atom.

  10. Atomic-level Electron Microscopy of Metal and Alloy Electrocatalysts

    DEFF Research Database (Denmark)

    Deiana, Davide

    , the elemental distribution of the PtxY, before and after the electrochemical tests, has been determined. A core-shell structure is formed after the ORR chemical treatment, with an alloyed core embedded by a ~1 nm Pt-rich shell, due to the segregation of the Y from the first few atomic layers of the particle...... was the only matching structure. In the case of Pd−Hg, a core-shell structure has been found, with a pure Pd core and a Pd-Hg shell. Through atomic resolution STEM, the structure of the alloy in the shell of different particles has been revealed, showing the formation of an ordered alloy structure....... flat surfaces and exposed to different sintering conditions. Ex situ STEM imaging has been used to monitor the variation of the particle dimensions through the analysis of particle area distributions. Clusters with a monomodal size distribution exhibited intrinsic sintering resistance on different...

  11. Atomic switches: atomic-movement-controlled nanodevices for new types of computing

    International Nuclear Information System (INIS)

    Hino, Takami; Hasegawa, Tsuyoshi; Terabe, Kazuya; Tsuruoka, Tohru; Nayak, Alpana; Ohno, Takeo; Aono, Masakazu

    2011-01-01

    Atomic switches are nanoionic devices that control the diffusion of metal cations and their reduction/oxidation processes in the switching operation to form/annihilate a metal atomic bridge, which is a conductive path between two electrodes in the on-state. In contrast to conventional semiconductor devices, atomic switches can provide a highly conductive channel even if their size is of nanometer order. In addition to their small size and low on-resistance, their nonvolatility has enabled the development of new types of programmable devices, which may achieve all the required functions on a single chip. Three-terminal atomic switches have also been developed, in which the formation and annihilation of a metal atomic bridge between a source electrode and a drain electrode are controlled by a third (gate) electrode. Three-terminal atomic switches are expected to enhance the development of new types of logic circuits, such as nonvolatile logic. The recent development of atomic switches that use a metal oxide as the ionic conductive material has enabled the integration of atomic switches with complementary metal-oxide-semiconductor (CMOS) devices, which will facilitate the commercialization of atomic switches. The novel characteristics of atomic switches, such as their learning and photosensing abilities, are also introduced in the latter part of this review. (topical review)

  12. Seasonal variation of prices of sugar cane, ethanol and electric power

    International Nuclear Information System (INIS)

    Melo, Carmem Ozana de; Silva, Gerson Henrique da; Bueno, Osmar de Carvalho; Esperancini, Maura Seiko Tsutsui

    2010-01-01

    The aim of this study was to assess the seasonal price of sugar cane, fuel alcohol (hydrated and anhydrous) and electricity tariffs as a way of aiding tool for optimization of energy generation, using biomass originating from cane sugar. Using the method of moving average centered was concluded that cane and electricity rates were close to seasonal average, with low range of prices, suggesting the non-occurrence of seasonal variation in prices. Unlike the seasonal indices of ethanol showed seasonal variation of prices with greater amplitude of seasonal index. Thus, the results suggest that the utilization of by-products of sugar cane to produce electrical power points to the prospect of reducing risks associated with variations in the price of ethanol, thereby contributing to greater stability and possibility to those involved in planning alcohol sector. (author)

  13. SU-C-BRC-05: Monte Carlo Calculations to Establish a Simple Relation of Backscatter Dose Enhancement Around High-Z Dental Alloy to Its Atomic Number

    Energy Technology Data Exchange (ETDEWEB)

    Utsunomiya, S; Kushima, N; Katsura, K; Tanabe, S; Hayakawa, T; Sakai, H; Yamada, T; Takahashi, H; Abe, E; Wada, S; Aoyama, H [Niigata University, Niigata (Japan)

    2016-06-15

    Purpose: To establish a simple relation of backscatter dose enhancement around a high-Z dental alloy in head and neck radiation therapy to its average atomic number based on Monte Carlo calculations. Methods: The PHITS Monte Carlo code was used to calculate dose enhancement, which is quantified by the backscatter dose factor (BSDF). The accuracy of the beam modeling with PHITS was verified by comparing with basic measured data namely PDDs and dose profiles. In the simulation, a high-Z alloy of 1 cm cube was embedded into a tough water phantom irradiated by a 6-MV (nominal) X-ray beam of 10 cm × 10 cm field size of Novalis TX (Brainlab). The ten different materials of high-Z alloys (Al, Ti, Cu, Ag, Au-Pd-Ag, I, Ba, W, Au, Pb) were considered. The accuracy of calculated BSDF was verified by comparing with measured data by Gafchromic EBT3 films placed at from 0 to 10 mm away from a high-Z alloy (Au-Pd-Ag). We derived an approximate equation to determine the relation of BSDF and range of backscatter to average atomic number of high-Z alloy. Results: The calculated BSDF showed excellent agreement with measured one by Gafchromic EBT3 films at from 0 to 10 mm away from the high-Z alloy. We found the simple linear relation of BSDF and range of backscatter to average atomic number of dental alloys. The latter relation was proven by the fact that energy spectrum of backscatter electrons strongly depend on average atomic number. Conclusion: We found a simple relation of backscatter dose enhancement around high-Z alloys to its average atomic number based on Monte Carlo calculations. This work provides a simple and useful method to estimate backscatter dose enhancement from dental alloys and corresponding optimal thickness of dental spacer to prevent mucositis effectively.

  14. Atomic physics

    International Nuclear Information System (INIS)

    Anon.

    1976-01-01

    Research activities in atomic physics at Lawrence Berkeley Laboratory during 1976 are described. Topics covered include: experiments on stored ions; test for parity violation in neutral weak currents; energy conservation and astrophysics; atomic absorption spectroscopy, atomic and molecular detectors; theoretical studies of quantum electrodynamics and high-z ions; atomic beam magnetic resonance; radiative decay from the 2 3 Po, 2 levels of helium-like argon; quenching of the metastable 2S/sub 1/2/ state of hydrogen-like argon in an external electric field; and lifetime of the 2 3 Po level of helium-like krypton

  15. Hybrid Reynolds-Averaged/Large-Eddy Simulations of a Co-Axial Supersonic Free-Jet Experiment

    Science.gov (United States)

    Baurle, R. A.; Edwards, J. R.

    2009-01-01

    Reynolds-averaged and hybrid Reynolds-averaged/large-eddy simulations have been applied to a supersonic coaxial jet flow experiment. The experiment utilized either helium or argon as the inner jet nozzle fluid, and the outer jet nozzle fluid consisted of laboratory air. The inner and outer nozzles were designed and operated to produce nearly pressure-matched Mach 1.8 flow conditions at the jet exit. The purpose of the computational effort was to assess the state-of-the-art for each modeling approach, and to use the hybrid Reynolds-averaged/large-eddy simulations to gather insight into the deficiencies of the Reynolds-averaged closure models. The Reynolds-averaged simulations displayed a strong sensitivity to choice of turbulent Schmidt number. The baseline value chosen for this parameter resulted in an over-prediction of the mixing layer spreading rate for the helium case, but the opposite trend was noted when argon was used as the injectant. A larger turbulent Schmidt number greatly improved the comparison of the results with measurements for the helium simulations, but variations in the Schmidt number did not improve the argon comparisons. The hybrid simulation results showed the same trends as the baseline Reynolds-averaged predictions. The primary reason conjectured for the discrepancy between the hybrid simulation results and the measurements centered around issues related to the transition from a Reynolds-averaged state to one with resolved turbulent content. Improvements to the inflow conditions are suggested as a remedy to this dilemma. Comparisons between resolved second-order turbulence statistics and their modeled Reynolds-averaged counterparts were also performed.

  16. 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

  17. Atomic species recognition on oxide surfaces using low temperature scanning probe microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Zong Min, E-mail: mzmncit@163.com [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China); Shi, Yun Bo; Mu, Ji Liang; Qu, Zhang; Zhang, Xiao Ming; Qin, Li [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China); Liu, Jun, E-mail: liuj@nuc.edu.cn [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China)

    2017-02-01

    Highlights: • The coexisted phase of p(2 × 1)and c(6 × 2) on Cu(110)-O surface using AFM under UHV at low temperature. • Two different c(6 × 2) phase depending on the status of the tip apex. • Electronic state of tip seriously effect the resolution and stability of the sample surface. - Abstract: In scanning probe microscopy (SPM), the chemical properties and sharpness of the tips of the cantilever greatly influence the scanning of a sample surface. Variation in the chemical properties of the sharp tip apex can induce transformation of the SPM images. In this research, we explore the relationship between the tip and the structure of a sample surface using dynamic atomic force microscopy (AFM) on a Cu(110)-O surface under ultra-high vacuum (UHV) at low temperature (78 K). We observed two different c(6 × 2) phase types in which super-Cu atoms show as a bright spot when the tip apex is of O atoms and O atoms show as a bright spot when the tip apex is of Cu atoms. We also found that the electronic state of the tip has a serious effect on the resolution and stability of the sample surface, and provide an explanation for these phenomena. This technique can be used to identify atom species on sample surfaces, and represents an important development in the SPM technique.

  18. Atomic reactor thermal engineering

    International Nuclear Information System (INIS)

    Kim, Gwang Ryong

    1983-02-01

    This book starts the introduction of atomic reactor thermal engineering including atomic reaction, chemical reaction, nuclear reaction neutron energy and soon. It explains heat transfer, heat production in the atomic reactor, heat transfer of fuel element in atomic reactor, heat transfer and flow of cooler, thermal design of atomic reactor, design of thermodynamics of atomic reactor and various. This deals with the basic knowledge of thermal engineering for atomic reactor.

  19. Broadband X-ray Imaging in the Near-Field Region of an Airblast Atomizer

    Science.gov (United States)

    Li, Danyu; Bothell, Julie; Morgan, Timothy; Heindel, Theodore

    2017-11-01

    The atomization process has a close connection to the efficiency of many spray applications. Examples include improved fuel atomization increasing the combustion efficiency of aircraft engines, or controlled droplet size and spray angle enhancing the quality and speed of the painting process. Therefore, it is vital to understand the physics of the atomization process, but the near-field region is typically optically dense and difficult to probe with laser-based or intrusive measurement techniques. In this project, broadband X-ray radiography and X-ray computed tomography (CT) imaging were performed in the near-field region of a canonical coaxial airblast atomizer. The X-ray absorption rate was enhanced by adding 20% by weight of Potassium Iodide to the liquid phase to increase image contrast. The radiographs provided an estimate of the liquid effective mean path length and spray angle at the nozzle exit for different flow conditions. The reconstructed CT images provided a 3D map of the time-average liquid spray distribution. X-ray imaging was used to quantify the changes in the near-field spray characteristics for various coaxial airblast atomizer flow conditions. Office of Naval Research.

  20. Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D.

    Science.gov (United States)

    Preciat Gonzalez, German A; El Assal, Lemmer R P; Noronha, Alberto; Thiele, Ines; Haraldsdóttir, Hulda S; Fleming, Ronan M T

    2017-06-14

    The mechanism of each chemical reaction in a metabolic network can be represented as a set of atom mappings, each of which relates an atom in a substrate metabolite to an atom of the same element in a product metabolite. Genome-scale metabolic network reconstructions typically represent biochemistry at the level of reaction stoichiometry. However, a more detailed representation at the underlying level of atom mappings opens the possibility for a broader range of biological, biomedical and biotechnological applications than with stoichiometry alone. Complete manual acquisition of atom mapping data for a genome-scale metabolic network is a laborious process. However, many algorithms exist to predict atom mappings. How do their predictions compare to each other and to manually curated atom mappings? For more than four thousand metabolic reactions in the latest human metabolic reconstruction, Recon 3D, we compared the atom mappings predicted by six atom mapping algorithms. We also compared these predictions to those obtained by manual curation of atom mappings for over five hundred reactions distributed among all top level Enzyme Commission number classes. Five of the evaluated algorithms had similarly high prediction accuracy of over 91% when compared to manually curated atom mapped reactions. On average, the accuracy of the prediction was highest for reactions catalysed by oxidoreductases and lowest for reactions catalysed by ligases. In addition to prediction accuracy, the algorithms were evaluated on their accessibility, their advanced features, such as the ability to identify equivalent atoms, and their ability to map hydrogen atoms. In addition to prediction accuracy, we found that software accessibility and advanced features were fundamental to the selection of an atom mapping algorithm in practice.

  1. Averaging of nonlinearity-managed pulses

    International Nuclear Information System (INIS)

    Zharnitsky, Vadim; Pelinovsky, Dmitry

    2005-01-01

    We consider the nonlinear Schroedinger equation with the nonlinearity management which describes Bose-Einstein condensates under Feshbach resonance. By using an averaging theory, we derive the Hamiltonian averaged equation and compare it with other averaging methods developed for this problem. The averaged equation is used for analytical approximations of nonlinearity-managed solitons

  2. Properties of atomic pairs produced in the collision of Bose-Einstein condensates

    Science.gov (United States)

    Ziń, Paweł; Wasak, Tomasz

    2018-04-01

    During a collision of Bose-Einstein condensates correlated pairs of atoms are emitted. The scattered massive particles, in analogy to photon pairs in quantum optics, might be used in the violation of Bell's inequalities, demonstration of Einstein-Podolsky-Rosen correlations, or sub-shot-noise atomic interferometry. Usually, a theoretical description of the collision relies either on stochastic numerical methods or on analytical treatments involving various approximations. Here, we investigate elastic scattering of atoms from colliding elongated Bose-Einstein condensates within the Bogoliubov method, carefully controlling performed approximations at every stage of the analysis. We derive expressions for the one- and two-particle correlation functions. The obtained formulas, which relate the correlation functions to the condensate wave function, are convenient for numerical calculations. We employ the variational approach for condensate wave functions to obtain analytical expressions for the correlation functions, whose properties we analyze in detail. We also present a useful semiclassical model of the process and compare its results with the quantum one. The results are relevant for recent experiments with excited helium atoms, as well as for planned experiments aimed at investigating the nonclassicality of the system.

  3. Genetic Variation in the Nuclear and Organellar Genomes Modulates Stochastic Variation in the Metabolome, Growth, and Defense

    Science.gov (United States)

    Joseph, Bindu; Corwin, Jason A.; Kliebenstein, Daniel J.

    2015-01-01

    Recent studies are starting to show that genetic control over stochastic variation is a key evolutionary solution of single celled organisms in the face of unpredictable environments. This has been expanded to show that genetic variation can alter stochastic variation in transcriptional processes within multi-cellular eukaryotes. However, little is known about how genetic diversity can control stochastic variation within more non-cell autonomous phenotypes. Using an Arabidopsis reciprocal RIL population, we showed that there is significant genetic diversity influencing stochastic variation in the plant metabolome, defense chemistry, and growth. This genetic diversity included loci specific for the stochastic variation of each phenotypic class that did not affect the other phenotypic classes or the average phenotype. This suggests that the organism's networks are established so that noise can exist in one phenotypic level like metabolism and not permeate up or down to different phenotypic levels. Further, the genomic variation within the plastid and mitochondria also had significant effects on the stochastic variation of all phenotypic classes. The genetic influence over stochastic variation within the metabolome was highly metabolite specific, with neighboring metabolites in the same metabolic pathway frequently showing different levels of noise. As expected from bet-hedging theory, there was more genetic diversity and a wider range of stochastic variation for defense chemistry than found for primary metabolism. Thus, it is possible to begin dissecting the stochastic variation of whole organismal phenotypes in multi-cellular organisms. Further, there are loci that modulate stochastic variation at different phenotypic levels. Finding the identity of these genes will be key to developing complete models linking genotype to phenotype. PMID:25569687

  4. Atomic theory of viscoelastic response and memory effects in metallic glasses

    Science.gov (United States)

    Cui, Bingyu; Yang, Jie; Qiao, Jichao; Jiang, Minqiang; Dai, Lanhong; Wang, Yun-Jiang; Zaccone, Alessio

    2017-09-01

    An atomic-scale theory of the viscoelastic response of metallic glasses is derived from first principles, using a Zwanzig-Caldeira-Leggett system-bath Hamiltonian as a starting point within the framework of nonaffine linear response to mechanical deformation. This approach provides a generalized Langevin equation (GLE) as the average equation of motion for an atom or ion in the material, from which non-Markovian nonaffine viscoelastic moduli are extracted. These can be evaluated using the vibrational density of states (DOS) as input, where the boson peak plays a prominent role in the mechanics. To compare with experimental data for binary ZrCu alloys, a numerical DOS was obtained from simulations of this system, which also take electronic degrees of freedom into account via the embedded-atom method for the interatomic potential. It is shown that the viscoelastic α -relaxation, including the α -wing asymmetry in the loss modulus, can be very well described by the theory if the memory kernel (the non-Markovian friction) in the GLE is taken to be a stretched-exponential decaying function of time. This finding directly implies strong memory effects in the atomic-scale dynamics and suggests that the α -relaxation time is related to the characteristic time scale over which atoms retain memory of their previous collision history. This memory time grows dramatically below the glass transition.

  5. Time and space variations of trophosherive carbon dioxide over Japan

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, M.; Nakazawa, T.; Aoki, S.

    Aircraft measurements of atmospheric CO/sub 2/ concentration over Japan, initiated in January 1979, have been continued to the present. The average seasonal variation of atmospheric CO/sub 2/ showed maximum concentration early in April and early in May, and minimum concentration in mid-August and mid-September for the lower-most and the upper-most layers of the troposphere, respectively. The peak-to-peak amplitudes of the seasonal variation were 14.5, 9.0 and 7.8 ppmv for the lower, middle and upper tropospheres, respectively. The average rate of annual increase of the CO/sub 2/ concentration over the last 6 years was about 1.3 ppmv yr/sup -1/ with considerable variation with time. The vertical profile of the annual mean value of the CO/sub 2/ concentration was almost the same from year to year; the CO/sub 2/ concentrations decreased gradually with height and the concentration difference between the lowest and highest layers of the troposphere was about 2 ppmv. (authors).

  6. 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.

  7. Time variation of fundamental couplings and dynamical dark energy

    International Nuclear Information System (INIS)

    Dent, Thomas; Stern, Steffen; Wetterich, Christof

    2009-01-01

    Scalar field dynamics may give rise to a nonzero cosmological variation of fundamental constants. Within different scenarios based on the unification of gauge couplings, the various claimed observations and bounds may be combined in order to trace or restrict the time history of the couplings and masses. If the scalar field is responsible for a dynamical dark energy or quintessence, cosmological information becomes available for its time evolution. Combining this information with the time variation of couplings, one can determine the interaction strength between the scalar and atoms, which may be observed by tests of the Weak Equivalence Principle. We compute bounds on the present rate of coupling variation from experiments testing the differential accelerations for bodies with equal mass and different composition and compare the sensitivity of various methods. In particular, we discuss two specific models of scalar evolution: crossover quintessence and growing neutrino models

  8. First row transition metal atoms embedded in multivacancies in a rippled graphene system

    Science.gov (United States)

    Mombrú, Dominique; Faccio, Ricardo; Mombrú, Alvaro W.

    2018-03-01

    Ab-initio calculations based on density functional theory (DFT) have been performed to study systems where a first row transition metal atom is embedded in a rippled graphene due to the existence of an 8-order multivacancy. In addition to these cases, also the inclusion of a zinc atom, with a 3d10 electron configuration, was also studied. Structural distortions and magnetic response for each system were studied. A correlation was found for the magnitude of the rippling and the distortion in the vacancy. Variation in the trends was found for Cu and Zn cases, which were explained on the basis of the filling of the 3dx2-y2 orbital. All the systems exhibit lower magnetic moment in comparison to the metal-less system. The quenching of the magnetic moment due to the carbon atoms in the vacancy is observed for Sc and Cu.

  9. Hybrid Reynolds-Averaged/Large-Eddy Simulations of a Coaxial Supersonic Free-Jet Experiment

    Science.gov (United States)

    Baurle, Robert A.; Edwards, Jack R.

    2010-01-01

    Reynolds-averaged and hybrid Reynolds-averaged/large-eddy simulations have been applied to a supersonic coaxial jet flow experiment. The experiment was designed to study compressible mixing flow phenomenon under conditions that are representative of those encountered in scramjet combustors. The experiment utilized either helium or argon as the inner jet nozzle fluid, and the outer jet nozzle fluid consisted of laboratory air. The inner and outer nozzles were designed and operated to produce nearly pressure-matched Mach 1.8 flow conditions at the jet exit. The purpose of the computational effort was to assess the state-of-the-art for each modeling approach, and to use the hybrid Reynolds-averaged/large-eddy simulations to gather insight into the deficiencies of the Reynolds-averaged closure models. The Reynolds-averaged simulations displayed a strong sensitivity to choice of turbulent Schmidt number. The initial value chosen for this parameter resulted in an over-prediction of the mixing layer spreading rate for the helium case, but the opposite trend was observed when argon was used as the injectant. A larger turbulent Schmidt number greatly improved the comparison of the results with measurements for the helium simulations, but variations in the Schmidt number did not improve the argon comparisons. The hybrid Reynolds-averaged/large-eddy simulations also over-predicted the mixing layer spreading rate for the helium case, while under-predicting the rate of mixing when argon was used as the injectant. The primary reason conjectured for the discrepancy between the hybrid simulation results and the measurements centered around issues related to the transition from a Reynolds-averaged state to one with resolved turbulent content. Improvements to the inflow conditions were suggested as a remedy to this dilemma. Second-order turbulence statistics were also compared to their modeled Reynolds-averaged counterparts to evaluate the effectiveness of common turbulence closure

  10. Graphite Furnace Atomic Absorption Elemental Analysis of Ecstasy Tablets

    OpenAIRE

    French, Holly E.; Went, Michael J.; Gibson, Stuart J.

    2013-01-01

    Abstract: Six metals (Cu, Mg, Ba, Ni, Cr, Pb) were determined in two separate batches of seized ecstasy\\ud tablets by graphite furnace atomic absorption spectroscopy (GFAAS) following digestion with nitric\\ud acid and hydrogen peroxide. Large intra-batch variations were found as expected for tablets produced\\ud in clandestine laboratories. For example, nickel in batch 1 was present in the range 0.47-13.1 ppm and\\ud in batch 2 in the range 0.35-9.06 ppm. Although batch 1 had significantly high...

  11. Characterization of iron ferromagnetism by the local atomic volume: from three-dimensional structures to isolated atoms.

    Science.gov (United States)

    Zhang, Lei; Sob, M; Wu, Zhe; Zhang, Ying; Lu, Guang-Hong

    2014-02-26

    We present a comprehensive study of the relationship between the ferromagnetism and the structural properties of Fe systems from three-dimensional ones to isolated atoms based on the spin-density functional theory. We have found a relation between the magnetic moment and the volume of the Voronoi polyhedron, determining, in most cases, the value of the total magnetic moment as a function of this volume with an average accuracy of ±0.28 μ(B) and of the 3d magnetic moment with an average accuracy of ±0.07 μ(B) when the atomic volume is larger than 22 ų. It is demonstrated that this approach is applicable for many three-dimensional systems, including high-symmetry structures of perfect body-centered cubic (bcc), face-centered cubic (fcc), hexagonal close-packed (hcp), double hexagonal close-packed (dhcp), and simple cubic (sc) crystals, as well as for lower-symmetry ones, for example atoms near a grain boundary (GB) or a surface, around a vacancy or in a linear chain (for low-dimensional cases, we provide a generalized definition of the Voronoi polyhedron). Also, we extend the validity of the Stoner model to low-dimensional structures, such as atomic chains, free-standing monolayers and surfaces, determining the Stoner parameter for these systems. The ratio of the 3d-exchange splitting to the magnetic moment, corresponding to the Stoner parameter, is found to be I(3d) = (0.998 ± 0.006) eV /μ(B) for magnetic moments up to 3.0 μ(B). Further, the 3d exchange splitting changes nearly linearly in the region of higher magnetic moments (3.0-4.0 μ(B)) and the corresponding Stoner exchange parameter equals I(h)(3d) = (0.272 ± 0.006) eV /μ(B). The existence of these two regions reflects the fact that, with increasing Voronoi volume, the 3d bands separate first and, consequently, the 3d magnetic moment increases. When the Voronoi volume is sufficiently large (≥22 ų), the separation of the 3d bands is complete and the magnetic moment reaches a value of 3.0

  12. Characterization of iron ferromagnetism by the local atomic volume: from three-dimensional structures to isolated atoms

    International Nuclear Information System (INIS)

    Zhang, Lei; Šob, M; Wu, Zhe; Zhang, Ying; Lu, Guang-Hong

    2014-01-01

    We present a comprehensive study of the relationship between the ferromagnetism and the structural properties of Fe systems from three-dimensional ones to isolated atoms based on the spin-density functional theory. We have found a relation between the magnetic moment and the volume of the Voronoi polyhedron, determining, in most cases, the value of the total magnetic moment as a function of this volume with an average accuracy of ±0.28 μ B and of the 3d magnetic moment with an average accuracy of ±0.07 μ B when the atomic volume is larger than 22 Å 3 . It is demonstrated that this approach is applicable for many three-dimensional systems, including high-symmetry structures of perfect body-centered cubic (bcc), face-centered cubic (fcc), hexagonal close-packed (hcp), double hexagonal close-packed (dhcp), and simple cubic (sc) crystals, as well as for lower-symmetry ones, for example atoms near a grain boundary (GB) or a surface, around a vacancy or in a linear chain (for low-dimensional cases, we provide a generalized definition of the Voronoi polyhedron). Also, we extend the validity of the Stoner model to low-dimensional structures, such as atomic chains, free-standing monolayers and surfaces, determining the Stoner parameter for these systems. The ratio of the 3d-exchange splitting to the magnetic moment, corresponding to the Stoner parameter, is found to be I 3d = (0.998 ± 0.006) eV /μ B for magnetic moments up to 3.0 μ B . Further, the 3d exchange splitting changes nearly linearly in the region of higher magnetic moments (3.0–4.0 μ B ) and the corresponding Stoner exchange parameter equals I 3d h =(0.272±0.006) eV/μ B . The existence of these two regions reflects the fact that, with increasing Voronoi volume, the 3d bands separate first and, consequently, the 3d magnetic moment increases. When the Voronoi volume is sufficiently large (≥22 Å 3 ), the separation of the 3d bands is complete and the magnetic moment reaches a value of 3.0

  13. AtomPy: an open atomic-data curation environment

    Science.gov (United States)

    Bautista, Manuel; Mendoza, Claudio; Boswell, Josiah S; Ajoku, Chukwuemeka

    2014-06-01

    We present a cloud-computing environment for atomic data curation, networking among atomic data providers and users, teaching-and-learning, and interfacing with spectral modeling software. The system is based on Google-Drive Sheets, Pandas (Python Data Analysis Library) DataFrames, and IPython Notebooks for open community-driven curation of atomic data for scientific and technological applications. The atomic model for each ionic species is contained in a multi-sheet Google-Drive workbook, where the atomic parameters from all known public sources are progressively stored. Metadata (provenance, community discussion, etc.) accompanying every entry in the database are stored through Notebooks. Education tools on the physics of atomic processes as well as their relevance to plasma and spectral modeling are based on IPython Notebooks that integrate written material, images, videos, and active computer-tool workflows. Data processing workflows and collaborative software developments are encouraged and managed through the GitHub social network. Relevant issues this platform intends to address are: (i) data quality by allowing open access to both data producers and users in order to attain completeness, accuracy, consistency, provenance and currentness; (ii) comparisons of different datasets to facilitate accuracy assessment; (iii) downloading to local data structures (i.e. Pandas DataFrames) for further manipulation and analysis by prospective users; and (iv) data preservation by avoiding the discard of outdated sets.

  14. 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.)

  15. Tuning up mind's pattern to nature's own idea: Eddington's early twenties case for variational derivatives

    Science.gov (United States)

    Smadja, Ivahn

    This paper sets out to show how Eddington's early twenties case for variational derivatives significantly bears witness to a steady and consistent shift in focus from a resolute striving for objectivity towards "selective subjectivism" and structuralism. While framing his so-called "Hamiltonian derivatives" along the lines of previously available variational methods allowing to derive gravitational field equations from an action principle, Eddington assigned them a theoretical function of his own devising in The Mathematical Theory of Relativity (1923). I make clear that two stages should be marked out in Eddington's train of thought if the meaning of such variational derivatives is to be adequately assessed. As far as they were originally intended to embody the mind's collusion with nature by linking atomicity of matter with atomicity of action, variational derivatives were at first assigned a dual role requiring of them not only to express mind's craving for permanence but also to tune up mind's privileged pattern to "Nature's own idea". Whereas at a later stage, as affine field theory would provide a framework for world-building, such "Hamiltonian differentiation" would grow out of tune through gauge-invariance and, by disregarding how mathematical theory might precisely come into contact with actual world, would be turned into a mere heuristic device for structural knowledge.

  16. Angular finite volume method for solving the multigroup transport equation with piecewise average scattering cross sections

    Energy Technology Data Exchange (ETDEWEB)

    Calloo, A.; Vidal, J.F.; Le Tellier, R.; Rimpault, G., E-mail: ansar.calloo@cea.fr, E-mail: jean-francois.vidal@cea.fr, E-mail: romain.le-tellier@cea.fr, E-mail: gerald.rimpault@cea.fr [CEA, DEN, DER/SPRC/LEPh, Saint-Paul-lez-Durance (France)

    2011-07-01

    This paper deals with the solving of the multigroup integro-differential form of the transport equation for fine energy group structure. In that case, multigroup transfer cross sections display strongly peaked shape for light scatterers and the current Legendre polynomial expansion is not well-suited to represent them. Furthermore, even if considering an exact scattering cross sections representation, the scattering source in the discrete ordinates method (also known as the Sn method) being calculated by sampling the angular flux at given directions, may be wrongly computed due to lack of angular support for the angular flux. Hence, following the work of Gerts and Matthews, an angular finite volume solver has been developed for 2D Cartesian geometries. It integrates the multigroup transport equation over discrete volume elements obtained by meshing the unit sphere with a product grid over the polar and azimuthal coordinates and by considering the integrated flux per solid angle element. The convergence of this method has been compared to the S{sub n} method for a highly anisotropic benchmark. Besides, piecewise-average scattering cross sections have been produced for non-bound Hydrogen atoms using a free gas model for thermal neutrons. LWR lattice calculations comparing Legendre representations of the Hydrogen scattering multigroup cross section at various orders and piecewise-average cross sections for this same atom are carried out (while keeping a Legendre representation for all other isotopes). (author)

  17. Prevalence of anatomical variations in maxillary sinus using cone beam computed tomography

    Directory of Open Access Journals (Sweden)

    Deepjyoti K Mudgade

    2018-01-01

    Full Text Available Introduction: The maxillary sinuses (MS are of particular importance to dentist because of their close proximity to the teeth and their associated structures, so increased risk of maxillary sinusitis has been reported with periapical abscess, periodontal diseases, dental trauma, tooth extraction, and implant placement. Complications of MS are related to its anatomic and pathologic variations. Thus, study was conducted to assess the prevalence of anatomic variations in MS by using cone-beam computerized tomography (CBCT. Aims and Objectives: To determine different anatomical variations in MS by using CBCT. Materials and Methods: CBCT scans of 150 subjects were collected between the age group of 18 years to 70 years and were analyzed for MS anatomical variation. Statistical Analysis: The distribution of age, sex, reasons for CBCT, and dimensions of sinus calculated using descriptive statistics and distribution of other anatomic findings using Chi-square test. Results: Prevalence of obstructed ostium is 23.3% and septa is 66.7%. Average height, width, and antero-posterior (A-P dimensions for right MS are 34.13 mm, 26.09 mm, 37.39 mm and that of left MS are 33.24 mm, 26.11 mm, 37.72 mm respectively. Average distance between lower border of ostium to sinus floor in right MS is 32.17 mm and that of left is 32.69 mm. Average diameter of ostium in right MS is 1.88 mm and that of left is 1.67 mm. Conclusion: Study highlights the importance of accurate assessment of MS and its variations in order to properly differentiate the pathologic lesions from anatomic variations avoiding unnecessary surgical explorations.

  18. Gold volatile species atomization and preconcentration in quartz devices for atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Arslan, Yasin [Institute of Analytical Chemistry of the ASCR, v. v. i., Veveří 97, 602 00 Brno (Czech Republic); Mehmet Akif Ersoy University, Faculty of Arts & Sciences, Chemistry Department, 15030 Burdur (Turkey); Musil, Stanislav; Matoušek, Tomáš; Kratzer, Jan [Institute of Analytical Chemistry of the ASCR, v. v. i., Veveří 97, 602 00 Brno (Czech Republic); Dědina, Jiří, E-mail: dedina@biomed.cas.cz [Institute of Analytical Chemistry of the ASCR, v. v. i., Veveří 97, 602 00 Brno (Czech Republic)

    2015-01-01

    The on-line atomization of gold volatile species was studied and the results were compared with thermodynamic calculations in several quartz atomizers, namely: diffusion flame, flame-in-gas-shield, flame-in-plain-tube, externally heated T-tube and externally heated flame-in-T-tube. Atomization mechanism in the explored devices is proposed, where volatile species are converted to thermodynamically stable AuH at elevated temperature over 500 °C and then atomized by an interaction with a cloud of hydrogen radicals. Because of its inherent simplicity and robustness, diffusion flame was employed as a reference atomizer. It yielded atomization efficiency of 70 to 100% and a very good long time reproducibility of peak area sensitivity: 1.6 to 1.8 s μg{sup −1}. Six and eleven times higher sensitivity, respectively, was provided by atomizers with longer light paths in the observation volume, i.e. externally heated T-tube and externally heated flame-in-T-tube. The latter one, offering limit of detection below 0.01 μg ml{sup −1}, appeared as the most prospective for on-line atomization. Insight into the mechanism of atomization of gold volatile species, into the fate of free atoms and into subsequent analyte transfer allowed to assess possibilities of in-atomizer preconcentration of gold volatile species: it is unfeasible with quartz atomizers but a sapphire tube atomizer could be useful in this respect. - Highlights: • On-line atomization of gold volatile species for AAS in quartz devices was studied. • Atomization mechanism was proposed and atomization efficiency was estimated. • Possibilities of in-atomizer preconcentration of gold volatile species were assessed.

  19. Electronic structure of atoms: atomic spectroscopy information system

    International Nuclear Information System (INIS)

    Kazakov, V V; Kazakov, V G; Kovalev, V S; Meshkov, O I; Yatsenko, A S

    2017-01-01

    The article presents a Russian atomic spectroscopy, information system electronic structure of atoms (IS ESA) (http://grotrian.nsu.ru), and describes its main features and options to support research and training. The database contains over 234 000 records, great attention paid to experimental data and uniform filling of the database for all atomic numbers Z, including classified levels and transitions of rare earth and transuranic elements and their ions. Original means of visualization of scientific data in the form of spectrograms and Grotrian diagrams have been proposed. Presentation of spectral data in the form of interactive color charts facilitates understanding and analysis of properties of atomic systems. The use of the spectral data of the IS ESA together with its functionality is effective for solving various scientific problems and training of specialists. (paper)

  20. Electronic structure of atoms: atomic spectroscopy information system

    Science.gov (United States)

    Kazakov, V. V.; Kazakov, V. G.; Kovalev, V. S.; Meshkov, O. I.; Yatsenko, A. S.

    2017-10-01

    The article presents a Russian atomic spectroscopy, information system electronic structure of atoms (IS ESA) (http://grotrian.nsu.ru), and describes its main features and options to support research and training. The database contains over 234 000 records, great attention paid to experimental data and uniform filling of the database for all atomic numbers Z, including classified levels and transitions of rare earth and transuranic elements and their ions. Original means of visualization of scientific data in the form of spectrograms and Grotrian diagrams have been proposed. Presentation of spectral data in the form of interactive color charts facilitates understanding and analysis of properties of atomic systems. The use of the spectral data of the IS ESA together with its functionality is effective for solving various scientific problems and training of specialists.

  1. Computer simulation of interstitial atom loop with vacancies in gamma-iron lattice

    International Nuclear Information System (INIS)

    Golubov, S.I.; Doronina, V.I.; Kaipetskaya, E.N.

    1985-01-01

    The interaction of vacanies and a dislocation loop has been investigated by the mashine stimulation method. The calculations have been performed by the variation method using the Jonson pair potential for gamma-iron. The interaction of a vacancy and a loop of interstitial atoms in the form of a regular hexagon has been investigated. The results obtained are compared with calculations in the elastic approximation

  2. Experimental atomic physics

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The experimental atomic physics program within the physics division is carried out by two groups, whose reports are given in this section. Work of the accelerator atomic physics group is centered around the 6.5-MV EN tandem accelerator; consequently, most of its research is concerned with atomic processes occurring to, or initiated by, few MeV/amu heavy ions. Other activities of this group include higher energy experiments at the Holifield Heavy Ion Research Facility (HHIRF), studies of electron and positron channeling radiation, and collaborative experiments at other institutions. The second experimental group concerns itself with lower energy atomic collision physics in support of the Fusion Energy Program. During the past year, the new Electron Cyclotron Resonance Source has been completed and some of the first data from this facility is presented. In addition to these two activities in experimental atomic physics, other chapters of this report describe progress in theoretical atomic physics, experimental plasma diagnostic development, and atomic data center compilation activities

  3. 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

  4. Design of a high average-power FEL driven by an existing 20 MV electrostatic-accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Kimel, I.; Elias, L.R. [Univ. of Central Florida, Orlando, FL (United States)

    1995-12-31

    There are some important applications where high average-power radiation is required. Two examples are industrial machining and space power-beaming. Unfortunately, up to date no FEL has been able to show more than 10 Watts of average power. To remedy this situation we started a program geared towards the development of high average-power FELs. As a first step we are building in our CREOL laboratory, a compact FEL which will generate close to 1 kW in CW operation. As the next step we are also engaged in the design of a much higher average-power system based on a 20 MV electrostatic accelerator. This FEL will be capable of operating CW with a power output of 60 kW. The idea is to perform a high power demonstration using the existing 20 MV electrostatic accelerator at the Tandar facility in Buenos Aires. This machine has been dedicated to accelerate heavy ions for experiments and applications in nuclear and atomic physics. The necessary adaptations required to utilize the machine to accelerate electrons will be described. An important aspect of the design of the 20 MV system, is the electron beam optics through almost 30 meters of accelerating and decelerating tubes as well as the undulator. Of equal importance is a careful design of the long resonator with mirrors able to withstand high power loading with proper heat dissipation features.

  5. Variational lower bound on the scattering length

    International Nuclear Information System (INIS)

    Rosenberg, L.; Spruch, L.

    1975-01-01

    The scattering length A characterizes the zero-energy scattering of one system by another. It was shown some time ago that a variational upper bound on A could be obtained using methods, of the Rayleigh-Ritz type, which are commonly employed to obtain upper bounds on energy eigenvalues. Here we formulate a method for obtaining a variational lower bound on A. Once again the essential idea is to express the scattering length as a variational estimate plus an error term and then to reduce the problem of bounding the error term to one involving bounds on energy eigenvalues. In particular, the variational lower bound on A is rigorously established provided a certin modified Hamiltonian can be shown to have no discrete states lying below the level of the continuum threshold. It is unfortunately true that necessary conditions for the existence of bound states are not available for multiparticle systems in general. However, in the case of positron-atom scattering the adiabatic approximation can be introduced as an (essentially) solvable comparison problem to rigorously establish the nonexistence of bound states of the modified Hamiltonian. It has recently been shown how the validity of the variational upper bound on A can be maintained when the target ground-state wave function is imprecisely known. Similar methods can be used to maintain the variational lower bound on A. Since the bound is variational, the error in the calculated scattering length will be of second order in the error in the wave function. The use of the adiabatic approximation in the present context places no limitation in principle on the accuracy achievable

  6. Atomic absorption spectrometric determination of mineral elements in mammalian bones

    International Nuclear Information System (INIS)

    Udoh, Anthony P.

    2000-01-01

    The phosphorus content of the major bones of male and female selected mammals was determined using the yellow vanadomolybdate colorimetric method. For each animal, the bone with the highest phosphorus content was used as pilot sample. Varying concentrations of strontium were added to solutions of the ashed pilot samples to minimize phosphorus interference in the determination of calcium and magnesium using flame atomic absorption spectrophotometry operated on the air-acetylene mode. At least 6,000 ppm (0.6%) of strontium was required to give optimum results for calcium. The amount of magnesium obtained from the analysis was not affected by the addition of strontium. With the incorporation of strontium in the sample solution, all elements of interest can be determined in the same sample solution. Based on this, a procedure is proposed for the determination of calcium and other elements in bones. Average recoveries of spiked calcium and magnesium were 97.85% and 98.16%, respectively at the 95% confidence level. The coefficients of variation obtained for replicate determinations using one of the samples were 0.00% for calcium, lead and sodium, 2.93% for magnesium, 3.27% for iron and 3.92% for zinc at the concentration levels found in that sample. Results from the proposed procedure compared well with those from classical chemical methods at the 95% confidence level. It is evident that calcium phosphorus, magnesium and sodium which are the most abundant elements in the bones are distributed in varying amounts both in the different types of bones and different animal species, although the general trend is Ca > P > Na > Mg for each bone considered. The calcium - phosphorus ratio is generally 3:1. The work set out to propose an atomic absorption spectrometric method for the multi-element analysis of mammalian bones with a single sample preparation and to study the distribution pattern of these elements in the bones. (Author)

  7. The difference between alternative averages

    Directory of Open Access Journals (Sweden)

    James Vaupel

    2012-09-01

    Full Text Available BACKGROUND Demographers have long been interested in how compositional change, e.g., change in age structure, affects population averages. OBJECTIVE We want to deepen understanding of how compositional change affects population averages. RESULTS The difference between two averages of a variable, calculated using alternative weighting functions, equals the covariance between the variable and the ratio of the weighting functions, divided by the average of the ratio. We compare weighted and unweighted averages and also provide examples of use of the relationship in analyses of fertility and mortality. COMMENTS Other uses of covariances in formal demography are worth exploring.

  8. Resonant neutron-induced atomic displacements

    Energy Technology Data Exchange (ETDEWEB)

    Elmaghraby, Elsayed K., E-mail: e.m.k.elmaghraby@gmail.com

    2017-05-01

    Highlights: • Neutron induced atomic displacements was investigated based on scattering of energy of neutron. • Model for cascade function (multiplication of displacements with increasing energy transfer) was proposed and justified. • Parameterizations for the dpa induced in all elements were performed. • Table containing all necessary parameters to calculate the displacement density induced by neutron is given. • Contribution of non resonance displacement and resonant-neutron induced displacements are distinguished. - Abstract: A model for displacement cascade function was modified to account for the continuous variation of displacement density in the material in response to neutron exposure. The model is based on the Gaussian distribution of displacement energies of atoms in a material. Analytical treatment for moderated epithermal neutron field was given in which the displacement density was divided into two terms, discrete-resonance term and continuum term. Calculation are done for all isotopes using ENDF/B VII.1 data files and temperature dependent cross section library. Weighted elemental values were reported a fitting was performed to obtain energy-dependent formula of displacement density and reduce the number of parameters. Results relevant the present specification of the cascade function are tabulated for each element to enable calculation of displacement density at any value of displacement energy in the between 5 eV and 55 eV.

  9. Vibrations in force-and-mass disordered alloys in the average local-information transfer approximation. Application to Al-Ag

    International Nuclear Information System (INIS)

    Czachor, A.

    1979-01-01

    The configuration-averaged displacement-displacement Green's function, derived in the locator-based approximation accounting for average transfer of information on local coupling and mass, has been applied to study the force-and-mass-disorder induced modifications of phonon dispersion relations in substitutional alloys of cubic structures. In this approach the translational invariance condition is obeyed whereas damping is neglected. The force-disorder was found to lead to additional splitting of phonon curves besides that due to mass-disorder, even in the small impurity-concentration case; at larger concentrations the number of splits (frequency gaps) should be still greater. The use of a quasi-locator in the Green's function derivation allows one to partly reconcile the present results with those of the average t-matrix approximation. The experimentally observed splitting in the [100]T phonon dispersion curve for Al-Ag alloys has been interpreted in terms of the above theory and of a quasi-mass of heavy impurity atoms. (Author)

  10. Atom-atom interactions around the band edge of a photonic crystal waveguide.

    Science.gov (United States)

    Hood, Jonathan D; Goban, Akihisa; Asenjo-Garcia, Ana; Lu, Mingwu; Yu, Su-Peng; Chang, Darrick E; Kimble, H J

    2016-09-20

    Tailoring the interactions between quantum emitters and single photons constitutes one of the cornerstones of quantum optics. Coupling a quantum emitter to the band edge of a photonic crystal waveguide (PCW) provides a unique platform for tuning these interactions. In particular, the cross-over from propagating fields [Formula: see text] outside the bandgap to localized fields [Formula: see text] within the bandgap should be accompanied by a transition from largely dissipative atom-atom interactions to a regime where dispersive atom-atom interactions are dominant. Here, we experimentally observe this transition by shifting the band edge frequency of the PCW relative to the [Formula: see text] line of atomic cesium for [Formula: see text] atoms trapped along the PCW. Our results are the initial demonstration of this paradigm for coherent atom-atom interactions with low dissipation into the guided mode.

  11. Asymptotics of Rydberg states for the hydrogen atom

    International Nuclear Information System (INIS)

    Thomas, L.E.

    1997-01-01

    The asymptotics of Rydberg states, i.e., highly excited bound states of the hydrogen atom Hamiltonian, and various expectations involving these states are investigated. We show that suitable linear combinations of these states, appropriately rescaled and regarded as functions either in momentum space or configuration space, are highly concentrated on classical momentum space or configuration space Kepler orbits respectively, for large quantum numbers. Expectations of momentum space or configuration space functions with respect to these states are related to time-averages of these functions over Kepler orbits. (orig.)

  12. Atomic collisions research with excited atomic species

    International Nuclear Information System (INIS)

    Hoogerland, M.D.; Gulley, R.J.; Colla, M.; Lu, W.; Milic, D.; Baldwin, K.G.H.; Buckman, S.J.

    1999-01-01

    Measurements and calculations of fundamental atomic collision and spectroscopic properties such as collision cross sections, reaction rates, transition probabilities etc. underpin the understanding and operation of many plasma and gas-discharge-based devices and phenomena, for example plasma processing and deposition. In almost all cases the complex series of reactions which sustains the discharge or plasma, or produces the reactive species of interest, has a precursor electron impact excitation, attachment, dissociation or ionisation event. These processes have been extensively studied in a wide range of atomic and molecular species and an impressive data base of collision cross sections and reaction rates now exists. However, most of these measurements are for collisions with stable atomic or molecular species which are initially in their ground electronic state. Relatively little information is available for scattering from excited states or for scattering from unstable molecular radicals. Examples of such species would be metastable excited rare gases, which are often used as buffer gases, or CF 2 radicals formed by electron impact dissociation in a CF 4 plasma processing discharge. We are interested in developing experimental techniques which will enable the quantitative study of such exotic atomic and molecular species. In this talk I would like to outline one such facility which is being used for studies of collisions with metastable He(2 3 S) atoms

  13. Experiments with Rydberg atoms on a current-carrying atom chip

    NARCIS (Netherlands)

    Cisternas San Martín, N.V.

    2018-01-01

    On one side, atom-chip experiments have demonstrated to be a versatile tool to study quantum physics in cold atoms systems. On the other side, Rydberg atoms have exaggerated properties that makes them good candidates to study quantum information and quantum simulations protocols. In this thesis both

  14. Irradiation-induced precipitates in a neutron irradiated 304 stainless steel studied by three-dimensional atom probe

    Energy Technology Data Exchange (ETDEWEB)

    Toyama, T., E-mail: ttoyama@imr.tohoku.ac.jp [International Research Center for Nuclear Materials Science, Institute for Materials Research, Tohoku University, Narita-cho 2145-2, Oarai, Ibaraki 311-1313 (Japan); Nozawa, Y. [International Research Center for Nuclear Materials Science, Institute for Materials Research, Tohoku University, Narita-cho 2145-2, Oarai, Ibaraki 311-1313 (Japan); Van Renterghem, W. [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, 2400 Mol (Belgium); Matsukawa, Y.; Hatakeyama, M.; Nagai, Y. [International Research Center for Nuclear Materials Science, Institute for Materials Research, Tohoku University, Narita-cho 2145-2, Oarai, Ibaraki 311-1313 (Japan); Al Mazouzi, A. [EDF R and D, Avenue des Renardieres Ecuelles, 77818 Moret sur Loing Cedex (France); Van Dyck, S. [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, 2400 Mol (Belgium)

    2011-11-15

    Highlights: > Irradiation-induced precipitates in a 304 stainless steel were investigated by three-dimensional atom probe. > The precipitates were found to be {gamma}' precipitates (Ni{sub 3}Si). > Post-irradiation annealing was performed to discuss the contribution of the precipitates to irradiation-hardening. - Abstract: Irradiation-induced precipitates in a 304 stainless steel, neutron-irradiated to a dose of 24 dpa at 300 deg. C in the fuel wrapper plates of a commercial pressurized water reactor, were investigated by laser-assisted three-dimensional atom probe. A high number density of 4 x 10{sup 23} m{sup -3} of Ni-Si rich precipitates was observed, which is one order of magnitude higher than that of Frank loops. The average diameter was {approx}10 nm and the average chemical composition was 40% Ni, 14% Si, 11% Cr and 32% Fe in atomic percent. Over a range of Si concentrations, the ratio of Ni to Si was {approx}3, close to that of {gamma}' precipitate (Ni{sub 3}Si). In some precipitates, Mn enrichment inside the precipitate and P segregation at the interface were observed. Post-irradiation annealing was performed to discuss the contribution of the precipitates to irradiation-hardening.

  15. Compression effects in helium-like atoms (Z=1,...,5) constrained by hard spherical walls

    International Nuclear Information System (INIS)

    Flores-Riveros, A.; Rodriguez-Contreras, A.

    2008-01-01

    Ground and lowest triplet S state energies and other properties are obtained for confined helium-like atoms {Z=1,...} spherically enclosed by impenetrable boxes of varying size. Wave functions are variationally optimized within generalized Hylleraas bases fulfilling appropriate boundary conditions. For all systems, enhanced confinement leads to increased total energies and singlet-triplet energy splittings

  16. Atomization of High-Viscosity Fluids for Aromatherapy Using Micro-heaters for Heterogeneous Bubble Nucleation

    Science.gov (United States)

    Law, Junhui; Kong, Ka Wai; Chan, Ho-Yin; Sun, Winston; Li, Wen Jung; Chau, Eric Boa Fung; Chan, George Kak Man

    2017-01-01

    The development of a novel lead-free microelectromechanical-system (MEMS)-based atomizer using the principle of thermal bubble actuation is presented. It is a low-cost, lead-free design that is environmentally friendly and harmless to humans. It has been tested to be applicable over a wide range of fluid viscosities, ranging from 1 cP (e.g., water) to 200 cP (e.g., oil-like fluid) at room temperature, a range that is difficult to achieve using ordinary atomizers. The results demonstrate that the average power consumption of the atomizer is approximately 1 W with an atomization rate of 0.1 to 0.3 mg of deionized (DI) water per cycle. The relationships between the micro-heater track width and the track gap, the size of the micro-cavities and the nucleation energy were studied to obtain an optimal atomizer design. The particle image velocimetry (PIV) results indicate that the diameter of the ejected droplets ranges from 30 to 90 μm with a speed of 20 to 340 mm/s. In addition, different modes of spraying are reported for the first time. It is envisioned that the successful development of this MEMS-based atomizing technology will revolutionize the existing market for atomizers and could also benefit different industries, particularly in applications involving viscous fluids.

  17. A statistical analysis of the lateral displacement of Si atoms in molecular dynamics simulations of successive bombardment with 20-keV C{sub 60} projectiles

    Energy Technology Data Exchange (ETDEWEB)

    Krantzman, K.D., E-mail: krantzmank@cofc.edu [Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424 (United States); Cook, E.L. [Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424 (United States); Wucher, A. [Faculty of Physics, University of Duisburg-Essen, 47048 Duisburg (Germany); Garrison, B.J. [Department of Chemistry, The Pennsylvania State University, University Park, PA 16802 (United States)

    2011-07-15

    An important factor that determines the possible lateral resolution in sputter depth profiling experiments is ion induced lateral displacement of substrate atoms. Molecular dynamics (MD) simulations are performed to model the successive bombardment of Si with 20 keV C{sub 60} at normal incidence. A statistical analysis of the lateral displacement of atoms that originate from the topmost layer is presented and discussed. From these results, it is determined that the motion is isotropic and can be described mathematically by a simple diffusion equation. A 'diffusion coefficient' for lateral displacement is determined to be 3.5 A{sup 2}/impact. This value can be used to calculate the average lateral distance moved as a function of the number of impacts. The maximum distance an atom may move is limited by the time that it remains on the surface before it is sputtered. After 800 impacts, 99% of atoms from the topmost layer have been removed, and the average distance moved by these atoms is predicted to be 100 A. Although the behavior can be described mathematically by the diffusion equation, the behavior of the atoms is different than what is thought of as normal diffusion. Atoms are displaced a large distance due to infrequent large hops.

  18. Atom

    International Nuclear Information System (INIS)

    Auffray, J.P.

    1997-01-01

    The atom through centuries, has been imagined, described, explored, then accelerated, combined...But what happens truly inside the atom? And what are mechanisms who allow its stability? Physicist and historian of sciences, Jean-Paul Auffray explains that these questions are to the heart of the modern physics and it brings them a new lighting. (N.C.)

  19. Noise in strong laser-atom interactions: Phase telegraph noise

    International Nuclear Information System (INIS)

    Eberly, J.H.; Wodkiewicz, K.; Shore, B.W.

    1984-01-01

    We discuss strong laser-atom interactions that are subjected to jump-type (random telegraph) random-phase noise. Physically, the jumps may arise from laser fluctuations, from collisions of various kinds, or from other external forces. Our discussion is carried out in two stages. First, direct and partially heuristic calculations determine the laser spectrum and also give a third-order differential equation for the average inversion of a two-level atom on resonance. At this stage a number of general features of the interaction are able to be studied easily. The optical analog of motional narrowing, for example, is clearly predicted. Second, we show that the theory of generalized Poisson processes allows laser-atom interactions in the presence of random telegraph noise of all kinds (not only phase noise) to be treated systematically, by means of a master equation first used in the context of quantum optics by Burshtein. We use the Burshtein equation to obtain an exact expression for the two-level atom's steady-state resonance fluorescence spectrum, when the exciting laser exhibits phase telegraph noise. Some comparisons are made with results obtained from other noise models. Detailed treatments of the effects ofmly jumps, or as a model of finite laser bandwidth effects, in which the laser frequency exhibits random jumps. We show that these two types of frequency noise can be distinguished in light-scattering spectra. We also discuss examples which demonstrate both temporal and spectral motional narrowing, nonexponential correlations, and non-Lorentzian spectra. Its exact solubility in finite terms makes the frequency-telegraph noise model an attractive alternative to the white-noise Ornstein-Uhlenbeck frequency noise model which has been previously applied to laser-atom interactions

  20. Atom probe, AFM and STM study on vacuum fired stainless steel

    International Nuclear Information System (INIS)

    Stupnik, A.; Frank, P.; Leisch, M.

    2008-01-01

    Full text: Stainless steel is one of the most commonly used structural materials for vacuum equipment. An efficient method to reduce the outgassing rate from stainless steel is a high temperature bakeout in vacuum (vacuum firing). This procedure reduces significantly the amount of dissolved hydrogen in the bulk. For the outgassing process the recombination rate of hydrogen atoms to the molecules plays the determining role and recombination is strongly related to the surface structure and composition. To get more detailed information about the surface morphology and composition AFM, STM and atom probe studies were carried out. Experiments on AISI 304L stainless steel samples show that the surface reconstructs completely during vacuum firing and large atomically flat terraces bounded by bunched steps and facets are formed. The large flat terraces can be assigned to (111) planes. The bunched steps and facets are corresponding in orientation almost to (110) planes and (100) planes. Surface inspection after vacuum firing by Auger electron spectroscopy (AES) gives reason for a composition change indicated by a reduction of the chromium signal in relation to the iron and nickel signal. Since the information depth of AES covers several atomic layers not only the top atomic layer of the sample surface is probed. For this reason 3D atom probe was used as well suited tool to investigate the segregation behavior of this alloy with the goal to examine the change in local chemical composition due to the high temperature treatment. As a result of vacuum firing the atom probe experiments show a significant enrichment of nickel at the top surface layer. In the second atomic layer chromium enrichment is detected. After vacuum firing the average composition below the second atomic layer shows certain chromium depletion up to 2 nm in depth. The observed changes in surface chemistry influence recombination and desorption probability from the surface and may contribute to the present

  1. The use of muonic atoms in biomedical researches (review)

    International Nuclear Information System (INIS)

    Sabirov, E.M.

    1984-01-01

    The review based on the experimental works of USA, West Germany scientists, the scientists of LNP JINR, shows the possibilities of muon atom application for comparative element analysis in biology and medicine. The unique and wide possibilities of muon diagnosis method are shown. Experiments both in vitro and in vivo were conducted. Investigation resulted in demonstration of variation of C, N, O amount in investigated tissue samples; the relative oxygen content grows in progression: adipose tissue, muscular tissue, liuer, blood. It is shown that the method enables to determine the content of any element no matter in what chemical compound this element enters. The method of muon atoms has some advantages as compared with other nuclear physics methods. Method restriction lies in the absence of high-intensive meson beams, which is related to method sensitivity. Another disadvantage consists in impossibility to register hydrogen therefore the method must be expanded by other methods of analysis for the purpose of investigation of different functional changes in organism

  2. Ocean tides in GRACE monthly averaged gravity fields

    DEFF Research Database (Denmark)

    Knudsen, Per

    2003-01-01

    The GRACE mission will map the Earth's gravity fields and its variations with unprecedented accuracy during its 5-year lifetime. Unless ocean tide signals and their load upon the solid earth are removed from the GRACE data, their long period aliases obscure more subtle climate signals which GRACE...... aims at. In this analysis the results of Knudsen and Andersen (2002) have been verified using actual post-launch orbit parameter of the GRACE mission. The current ocean tide models are not accurate enough to correct GRACE data at harmonic degrees lower than 47. The accumulated tidal errors may affect...... the GRACE data up to harmonic degree 60. A study of the revised alias frequencies confirm that the ocean tide errors will not cancel in the GRACE monthly averaged temporal gravity fields. The S-2 and the K-2 terms have alias frequencies much longer than 30 days, so they remain almost unreduced...

  3. Entanglement dynamics between an isolated atom and a moving atom in the cavity

    International Nuclear Information System (INIS)

    Xiao-Juan, Deng; Mao-Fa, Fang; Guo-Dong, Kang

    2009-01-01

    The entanglement dynamics between an isolated atom and a moving atom interacting with a cavity field is investigated. The results show that there appears sudden death of entanglement between the isolated atom and the moving atom and that the time of entanglement sudden death (ESD) is independent of the initial state of the system. It is interesting that the isolated atom can also entangle with a cavity field, though they do not interact with each other originally, which stems from the fact that the entanglement between the isolated atom and the moving atom may turn into the entanglement between the isolated atom and the cavity. (general)

  4. Do atoms and anti-atoms obey the same laws of physics?

    CERN Multimedia

    Jeffrey Hangst

    2010-01-01

    ALPHA physicists have recently succeeded in trapping anti-atoms for the first time. Being able to hold on to the simplest atoms of antimatter is an important step towards the collaboration’s ultimate goal: precision spectroscopic comparison of hydrogen and antihydrogen. The question they are seeking to answer: do atoms and anti-atoms obey the same laws of physics? The Standard Model says that they must.   The ALPHA Collaboration celebrates the successful results. The ALPHA collaboration has taken it up a gear and trapped 38 atoms of antihydrogen for the first time. Antihydrogen atoms have been mass-produced at the Antiproton Decelerator (AD) since 2002, when ATHENA (ALPHA’s predecessor) and ATRAP learned how to mix clouds of antiprotons and positrons at cryogenic temperatures. However, these anti-atoms were not confined, and flew off in a few microseconds to meet their fate: annihilation with matter in the walls of the experiment. ALPHA uses antiprotons produced at...

  5. Design and Construction of an Atomic Clock on an Atom Chip

    International Nuclear Information System (INIS)

    Reinhard, Friedemann

    2009-01-01

    We describe the design and construction of an atomic clock on an atom chip, intended as a secondary standard, with a stability in the range of few 10 -13 at 1 s. This clock is based on a two-photon transition between the hyperfine states |F = 1; m F = -1> and |2; 1> of the electronic ground state of the 87 Rb atom. This transition is interrogated using a Ramsey scheme, operating on either a cloud of thermal atoms or a Bose-Einstein condensate. In contrast to atomic fountain clocks, this clock is magnetically trapped on an atom chip. We describe a theoretical model of the clock stability and the design and construction of a dedicated apparatus. It is able to control the magnetic field at the relative 10 -5 level and features a hybrid atom chip, containing DC conductors as well as a microwave transmission line for the clock interrogation. (author)

  6. Positron scattering by atomic hydrogen at intermediate energies

    International Nuclear Information System (INIS)

    Higgins, K.; Burke, P.G.; Walters, H.R.J.

    1990-01-01

    Results of an accurate calculation based upon the intermediate energy R-matrix theory are reported for elastic scattering of positrons by atomic hydrogen. T-matrix elements for both low and intermediate energy scattering are evaluated for the S e , P o , D e and F o partial wave symmetries. The low-energy elastic phaseshifts are found to be in good agreement with previous accurate variational calculations. Using an optical potential approach to include the effect of the higher partial waves, elastic and total cross sections are presented for energies ranging from near threshold to 3.7 Rydbergs. (author)

  7. Influence of the atomic mass of the background gas on laser ablation plume propagation

    DEFF Research Database (Denmark)

    Amoruso, Salvatore; Schou, Jørgen; Lunney, James G.

    2008-01-01

    A combination of time-of-flight ion probe measurements and gas dynamical modeling has been used to investigate the propagation of a laser ablation plume in gases of different atomic/molecular weight. The pressure variation of the ion time-of-flight was found to be well described by the gas...... dynamical model of Predtechensky and Mayorov (Appl. Supercond. 1:2011, 1993). In particular, the model describes how the pressure required to stop the plume in a given distance depends on the atomic/molecular weight of the gas, which is a feature that cannot be explained by standard point......-blast-wave descriptions of laser ablation plume expansion in gas....

  8. Atomic switch: atom/ion movement controlled devices for beyond von-neumann computers.

    Science.gov (United States)

    Hasegawa, Tsuyoshi; Terabe, Kazuya; Tsuruoka, Tohru; Aono, Masakazu

    2012-01-10

    An atomic switch is a nanoionic device that controls the diffusion of metal ions/atoms and their reduction/oxidation processes in the switching operation to form/annihilate a conductive path. Since metal atoms can provide a highly conductive channel even if their cluster size is in the nanometer scale, atomic switches may enable downscaling to smaller than the 11 nm technology node, which is a great challenge for semiconductor devices. Atomic switches also possess novel characteristics, such as high on/off ratios, very low power consumption and non-volatility. The unique operating mechanisms of these devices have enabled the development of various types of atomic switch, such as gap-type and gapless-type two-terminal atomic switches and three-terminal atomic switches. Novel functions, such as selective volatile/nonvolatile, synaptic, memristive, and photo-assisted operations have been demonstrated. Such atomic switch characteristics can not only improve the performance of present-day electronic systems, but also enable development of new types of electronic systems, such as beyond von- Neumann computers. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. The potential of continuous, local atomic clock measurements for earthquake prediction and volcanology

    Directory of Open Access Journals (Sweden)

    Bondarescu Mihai

    2015-01-01

    Full Text Available Modern optical atomic clocks along with the optical fiber technology currently being developed can measure the geoid, which is the equipotential surface that extends the mean sea level on continents, to a precision that competes with existing technology. In this proceeding, we point out that atomic clocks have the potential to not only map the sea level surface on continents, but also look at variations of the geoid as a function of time with unprecedented timing resolution. The local time series of the geoid has a plethora of applications. These include potential improvement in the predictions of earthquakes and volcanoes, and closer monitoring of ground uplift in areas where hydraulic fracturing is performed.

  10. Accuracy of free energies of hydration using CM1 and CM3 atomic charges.

    Science.gov (United States)

    Udier-Blagović, Marina; Morales De Tirado, Patricia; Pearlman, Shoshannah A; Jorgensen, William L

    2004-08-01

    Absolute free energies of hydration (DeltaGhyd) have been computed for 25 diverse organic molecules using partial atomic charges derived from AM1 and PM3 wave functions via the CM1 and CM3 procedures of Cramer, Truhlar, and coworkers. Comparisons are made with results using charges fit to the electrostatic potential surface (EPS) from ab initio 6-31G* wave functions and from the OPLS-AA force field. OPLS Lennard-Jones parameters for the organic molecules were used together with the TIP4P water model in Monte Carlo simulations with free energy perturbation theory. Absolute free energies of hydration were computed for OPLS united-atom and all-atom methane by annihilating the solutes in water and in the gas phase, and absolute DeltaGhyd values for all other molecules were computed via transformation to one of these references. Optimal charge scaling factors were determined by minimizing the unsigned average error between experimental and calculated hydration free energies. The PM3-based charge models do not lead to lower average errors than obtained with the EPS charges for the subset of 13 molecules in the original study. However, improvement is obtained by scaling the CM1A partial charges by 1.14 and the CM3A charges by 1.15, which leads to average errors of 1.0 and 1.1 kcal/mol for the full set of 25 molecules. The scaled CM1A charges also yield the best results for the hydration of amides including the E/Z free-energy difference for N-methylacetamide in water. Copyright 2004 Wiley Periodicals, Inc.

  11. Chemical reactions of recoil atoms and thermal atoms of tritium with haloid benzenes

    International Nuclear Information System (INIS)

    Simirskij, Yu.N.; Firsova, L.P.

    1978-01-01

    Radiochemical yields have been determined for the products of substitution of hydrogen atoms and halides in Cl-, Br-, and I-benzenes with tritium atoms obtained during thermal dissociation of T 2 and with recoil atoms T arising in nuclear reaction 6 Li(n, P)T. It is shown that in the series of Cl-, Br-, and I-benzenes yields of the products of substitution of halides atoms with tritium grow, whereas those of hydrogen atom substitution change only little. The correlation nature of the yields of substitution products of halide atoms with tritium remains constant in a wide range of the initial kinetic energies of T atoms for the recoil atoms with E 0 =2.7 MeV and for the completely thermolized atoms during thermal dissociation of T 2

  12. Technical Note: Effect of explicit M and N-shell atomic transitions on a low-energy x-ray source

    Energy Technology Data Exchange (ETDEWEB)

    Watson, Peter G. F., E-mail: peter.watson@mail.mcgill.ca; Seuntjens, Jan [Medical Physics Unit, McGill University, Montreal, Quebec H4A 3J1 (Canada)

    2016-04-15

    Purpose: In EGSnrc, atomic transitions to and from the M and N-shells are treated in an average way by default. This approach is justified in which the energy difference between explicit and average M and N-shell binding energies is less than 1 keV, and for most applications can be considered negligible. However, for simulations of low energy x-ray sources on thin, high-Z targets, characteristic x-rays can make up a significant portion of the source spectra. As of release V4-2.4.0, EGSnrc has included an option to enable a more complete algorithm of all atomic transitions available in the EADL compilation. In this paper, the effect of M and N-shell averaging on the calculation of half-value layer (HVL) and relative depth dose (RDD) curve of a 50 kVp intraoperative x-ray tube with a thin gold target was investigated. Methods: A 50 kVp miniature x-ray source with a gold target (The INTRABEAM System, Carl Zeiss, Germany) was modeled with the EGSnrc user code cavity, both with and without M and N-shell averaging. From photon fluence spectra simulations, the source HVLs were determined analytically. The same source model was then used with egs-chamber to calculate RDD curves in water. Results: A 4% increase of HVL was reported when accounting for explicit M and N-shell transitions, and up to a 9% decrease in local relative dose for normalization at 3 mm depth in water. Conclusions: The EGSnrc default of using averaged M and N-shell binding energies has an observable effect on the HVL and RDD of a low energy x-ray source with high-Z target. For accurate modeling of this class of devices, explicit atomic transitions should be included.

  13. Atomic fountain and applications

    International Nuclear Information System (INIS)

    Rawat, H.S.

    2000-01-01

    An overview of the development of working of MOT along with the basic principle of laser atom cooling and trapping is given. A technique to separate the cooled and trapped atoms from the MOT using atomic fountain technique will also be covered. The widely used technique for atomic fountain is, first to cool and trap the neutral atoms in MOT and then launch them in the vertical direction, using moving molasses technique. Using 133 Cs atomic fountain clock, time improvement of 2 to 3 order of magnitude over a conventional 133 Cs atomic clock has been observed

  14. Putting atomic diffusion theory of magnetic ApBp stars to the test: evaluation of the predictions of time-dependent diffusion models

    Science.gov (United States)

    Kochukhov, O.; Ryabchikova, T. A.

    2018-02-01

    A series of recent theoretical atomic diffusion studies has address the challenging problem of predicting inhomogeneous vertical and horizontal chemical element distributions in the atmospheres of magnetic ApBp stars. Here we critically assess the most sophisticated of such diffusion models - based on a time-dependent treatment of the atomic diffusion in a magnetized stellar atmosphere - by direct comparison with observations as well by testing the widely used surface mapping tools with the spectral line profiles predicted by this theory. We show that the mean abundances of Fe and Cr are grossly underestimated by the time-dependent theoretical diffusion model, with discrepancies reaching a factor of 1000 for Cr. We also demonstrate that Doppler imaging inversion codes, based either on modelling of individual metal lines or line-averaged profiles simulated according to theoretical three-dimensional abundance distribution, are able to reconstruct correct horizontal chemical spot maps despite ignoring the vertical abundance variation. These numerical experiments justify a direct comparison of the empirical two-dimensional Doppler maps with theoretical diffusion calculations. This comparison is generally unfavourable for the current diffusion theory, as very few chemical elements are observed to form overabundance rings in the horizontal field regions as predicted by the theory and there are numerous examples of element accumulations in the vicinity of radial field zones, which cannot be explained by diffusion calculations.

  15. Generation of a slow and continuous cesium atomic beam for an atomic clock

    International Nuclear Information System (INIS)

    Park, Sang Eon; Lee, Ho Seong; Shin, Eun-joo; Kwon, Taeg Yong; Yang, Sung Hoon; Cho, Hyuck

    2002-01-01

    A thermal atomic beam from a cesium oven was slowed down by use of the Hoffnagle modified white-light cooling technique. In addition, the atomic beam was collimated by use of a two-dimensional optical molasses that was installed transverse to the atomic-beam direction. The flux of the atomic beam was 2x10 10 atoms/s, an increase of a factor of 16 as a result of the collimation. The mean longitudinal velocity was ∼24.4 m/s, and the rms velocity spread of the slowed atomic beam was ∼1 m/s. Compared with other methods, we found that the Hoffnagle method is suitable for the generation of slow atomic beams to be used in an atomic clock, which requires an ultralow magnetic field environment. This atomic beam was deflected by an angle of 30 deg. by a one-dimensional optical molasses to separate it from laser light and high-velocity atoms

  16. 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

  17. 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

  18. Microfabricated Waveguide Atom Traps.

    Energy Technology Data Exchange (ETDEWEB)

    Jau, Yuan-Yu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-09-01

    A nanoscale , microfabricated waveguide structure can in - principle be used to trap atoms in well - defined locations and enable strong photon-atom interactions . A neutral - atom platform based on this microfabrication technology will be prealigned , which is especially important for quantum - control applications. At present, there is still no reported demonstration of evanescent - field atom trapping using a microfabricated waveguide structure. We described the capabilities established by our team for future development of the waveguide atom - trapping technology at SNL and report our studies to overcome the technical challenges of loading cold atoms into the waveguide atom traps, efficient and broadband optical coupling to a waveguide, and the waveguide material for high - power optical transmission. From the atomic - physics and the waveguide modeling, w e have shown that a square nano-waveguide can be utilized t o achieve better atomic spin squeezing than using a nanofiber for first time.

  19. Two Clock Transitions in Neutral Yb for the Highest Sensitivity to Variations of the Fine-Structure Constant

    Science.gov (United States)

    Safronova, Marianna S.; Porsev, Sergey G.; Sanner, Christian; Ye, Jun

    2018-04-01

    We propose a new frequency standard based on a 4 f146 s 6 p P0 3 -4 f136 s25 d (J =2 ) transition in neutral Yb. This transition has a potential for high stability and accuracy and the advantage of the highest sensitivity among atomic clocks to variation of the fine-structure constant α . We find its dimensionless α -variation enhancement factor to be K =-15 , in comparison to the most sensitive current clock (Yb+ E 3 , K =-6 ), and it is 18 times larger than in any neutral-atomic clocks (Hg, K =0.8 ). Combined with the unprecedented stability of an optical lattice clock for neutral atoms, this high sensitivity opens new perspectives for searches for ultralight dark matter and for tests of theories beyond the standard model of elementary particles. Moreover, together with the well-established 1S0-3P0 transition, one will have two clock transitions operating in neutral Yb, whose interleaved interrogations may further reduce systematic uncertainties of such clock-comparison experiments.

  20. Characteristics of seasonal variation and solar activity dependence of the geomagnetic solar quiet daily variation

    Science.gov (United States)

    Shinbori, A.; Koyama, Y.; Nose, M.; Hori, T.

    2017-12-01

    Characteristics of seasonal variation and solar activity dependence of the X- and Y-components of the geomagnetic solar quiet (Sq) daily variation at Memanbetsu in mid-latitudes and Guam near the equator have been investigated using long-term geomagnetic field data with 1-h time resolution from 1957 to 2016. In this analysis, we defined the quiet day when the maximum value of the Kp index is less than 3 for that day. In this analysis, we used the monthly average of the adjusted daily F10.7 corresponding to geomagnetically quiet days. For identification of the monthly mean Sq variation in the X and Y components (Sq-X and Sq-Y), we first determined the baseline of the X and Y components from the average value from 22 to 2 h (LT: local time) for each quiet day. Next, we calculated a deviation from the baseline of the X- and Y-components of the geomagnetic field for each quiet day, and computed the monthly mean value of the deviation for each local time. As a result, Sq-X and Sq-Y shows a clear seasonal variation and solar activity dependence. The amplitude of seasonal variation increases significantly during high solar activities, and is proportional to the solar F10.7 index. The pattern of the seasonal variation is quite different between Sq-X and Sq-Y. The result of the correlation analysis between the solar F10.7 index and Sq-X and Sq-Y shows almost the linear relationship, but the slope and intercept of the linear fitted line varies as function of local time and month. This implies that the sensitivity of Sq-X and Sq-Y to the solar activity is different for different local times and seasons. The local time dependence of the offset value of Sq-Y at Guam and its seasonal variation suggest a magnetic field produced by inter-hemispheric field-aligned currents (FACs). From the sign of the offset value of Sq-Y, it is infer that the inter-hemispheric FACs flow from the summer to winter hemispheres in the dawn and dusk sectors and from the winter to summer hemispheres in