WorldWideScience

Sample records for non-lte atomic kinetics

  1. ALICE: A non-LTE plasma atomic physics, kinetics and lineshape package

    Science.gov (United States)

    Hill, E. G.; Pérez-Callejo, G.; Rose, S. J.

    2018-03-01

    All three parts of an atomic physics, atomic kinetics and lineshape code, ALICE, are described. Examples of the code being used to model the emissivity and opacity of plasmas are discussed and interesting features of the code which build on the existing corpus of models are shown throughout.

  2. Kinetic Requirements for the Measurement of Mesospheric Water Vapor at 6.8 (microns) under Non-LTE Conditions

    Science.gov (United States)

    Zhou, Daniel K.; Mlynczak, Martin G.; Lopez-Puertas, Manuel; Russell, James M., III

    1999-01-01

    We present accuracy requirements for specific kinetic parameters used to calculate the populations and vibrational temperatures of the H2O(010) and H2O(020) states in the terrestrial mesosphere. The requirements are based on rigorous simulations of the retrieval of mesospheric water vapor profiles from measurements of water vapor infrared emission made by limb scanning instruments on orbiting satellites. Major improvements in the rate constants that describe vibration-to- vibration exchange between the H2O(010) and 02(1) states are required in addition to improved specification of the rate of quenching Of O2(1) by atomic oxygen (0). It is also necessary to more accurately determine the yield of vibrationally excited O2(l) resulting from ozone photolysis. A contemporary measurement of the rate of quenching of H2O(010) by N2 and O2 is also desirable. These rates are either highly uncertain or have never before been measured at atmospheric temperatures. The suggested improvements are necessary for the interpretation of water vapor emission measurements at 6.8 microns to be made from a new spaceflight experiment in less than 2 years. The approach to retrieving water vapor under non-LTE conditions is also presented.

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  4. Variability of OH rotational temperatures on time scales from hours to 15 years by kinetic temperature variations, emission layer changes, and non-LTE effects

    Science.gov (United States)

    Noll, Stefan

    2016-07-01

    Rotational temperatures derived from hydroxyl (OH) line emission are frequently used to study atmospheric temperatures at altitudes of about 87 km. While the measurement only requires intensities of a few bright lines of an OH band, the interpretation can be complicated. Ground-based temperatures are averages for the entire, typically 8 km wide emission layer. Variations in the rotational temperature are then caused by changes of the kinetic temperature and the OH emission profile. The latter can also be accompanied by differences in the layer-averaged efficiency of the thermalisation of the OH rotational level populations. Since this especially depends on the frequency of collisions with O_2, which is low at high altitudes, the non-local thermodynamic equilibrium (non-LTE) contribution to the measured temperatures can be significant and variable. In order to understand the impact of the different sources of OH rotational temperature variations from time scales of hours to a solar cycle, we have studied spectra from the astronomical echelle spectrographs X-shooter and UVES located at Cerro Paranal in Chile. While the X-shooter data spanning 3.5 years allowed us to measure temperatures for 25 OH and two O_2 bands, the UVES spectra cover no more than 10 OH bands simultaneously but a period of about 15 years. These data have been complemented by kinetic temperature and OH and O_2 emission profiles from the multi-channel radiometer SABER on the TIMED satellite. Taking the O_2 and SABER kinetic temperatures as reference and considering the different band-dependent emission profiles, we could evaluate the contribution of non-LTE effects to the measured OH rotational temperatures depending on line set, band, and time. Non-LTE contributions are significant for most bands and can exceed 10 K. The amplitudes of their average nocturnal and seasonal variation are of the order of 1 to 2 K.

  5. Non-LTE effects in inertial confinement fusion target chambers

    International Nuclear Information System (INIS)

    MacFarlane, J.J.; Moses, G.A.; Peterson, R.R.

    1989-01-01

    In previous studies of transport processes in inertial confinement fusion target chambers, the radiative properties of the background plasma were calculated under the assumption of local thermodynamic equilibrium (LTE). In this paper, the authors present a study of the equation of state and the radiative properties of high temperature, low-to-moderate density ( 21 cm -3 ) plasmas for the determination of the conditions under which non-LTE effects become important and for an assessment of the importance of non-LTE processes in target chambers during high yield inertial fusion target explosions. For this purpose, two-body (radiative and dielectronic) and three-body (collisional) recombination and de-excitation processes are considered in calculating the steady state ionization and excitation populations. The results of this study indicate that non-LTE processes generally become important at temperatures of > or approx. 1, 10 and 100 eV for plasma densities of 10 18 , 10 19 and 10 21 cm -3 , respectively. Radiation hydrodynamic simulations utilizing the equation of state and the opacities for a non-LTE argon plasma were performed to study the response of a background gas to an inertial fusion target explosion. These calculations indicate that non-LTE processes are often the dominant atomic processes in the background plasma and that they can strongly affect the radiative and shock properties as energy is transported away from the point of the target explosion. (author). 22 refs, 10 figs, 1 tab

  6. Non LTE Effects in Laser Plasmas

    Science.gov (United States)

    Klapisch, Marcel

    1997-11-01

    Laser produced plasmas are not in Local Thermodynamical Equilibrium(LTE) because of the strong gradients and the escaping radiation. Departure from LTE changes the average charge state Z^*, and through it the electron temperature and other thermodynamical variables. Hydrodynamic simulations using LTE and non LTE modes show that in some cases the temperatures can change by an order of magnitude. Several rad/hydro models have solved the approximate atomic rate equations in-line within the average atom model(W. A. Lokke and W. H. Grasburger, LLNL, Report UCRL-52276 (1977),G. Pollack, LANL, Report LA-UR-90-2423 (1990)), or with global rates(M. Busquet, J. P. Raucourt and J. C. Gauthier, J. Quant. Spectrosc. Radiat. Transfer, 54, 81 (1995)). A new technique developed by Busquet, the Radiation Dependent Ionization Model (RADIOM)(M. Busquet, Phys. Fluids B, 5, 4191 (1993)) has been implemented in the NRL hydro-code. It uses an ionization temperature Tz to obtain the opacities and EOS in table look-ups. A very elaborate LTE atomic physics such as the STA code( A. Bar-Shalom and J. Oreg, Phys. Rev. E, 54, 1850 (1996), and ref. therein), or OPAL, can then be used off-line for generating the tables. The algorithm for Tz is very simple and quick. RADIOM has recently been benchmarked with a new detailed collisional radiative model SCROLL(A. Bar-Shalom, J. Oreg and M. Klapisch, Phys. Rev. E, to appear in July (1997)) on a range of temperatures, densities and atomic numbers. RADIOM has been surprisingly successful in calculations of non-LTE opacities.

  7. Non-LTE CO, revisited

    Science.gov (United States)

    Ayres, Thomas R.; Wiedemann, Gunter R.

    1989-01-01

    A more extensive and detailed non-LTE simulation of the Delta v = 1 bands of CO than attempted previously is reported. The equations of statistical equilibrium are formulated for a model molecule containing 10 bound vibrational levels, each split into 121 rotational substates and connected by more than 1000 radiative transitions. Solutions are obtained for self-consistent populations and radiation fields by iterative application of the 'Lambda-operator' to an initial LTE distribution. The formalism is used to illustrate models of the sun and Arcturus. For the sun, negligible departures from LTE are found in either a theoretical radiative-equilibrium photosphere with outwardly falling temperatures in its highest layers or in a semiempirical hot chromosphere that reproduces the spatially averaged emission cores of Ca II H and K. The simulations demonstrate that the puzzling 'cool cores' of the CO Delta V = 1 bands observed in limb spectra of the sun and in flux spectra of Arcturus cannot be explained simply by non-LTE scattering effects.

  8. NonLTE ANALYSIS OF THE NaI LINES IN THE SOLAR SPECTRUM

    OpenAIRE

    Ivanova, D. V.; Shimansky, V. V.

    2017-01-01

    Solar spectrum of Nal lines by method of the nonLTE analysis is investigated. It shown, that in atmosphere of the Sun the Nal is in moderate ”overrecombination”. The analysis of influence of atomic data, models of atmospheres and damping constants for nonLTE deviation and sodium abundances is made. Observational solar spectrum of strong lines Nal has been synthesized in good approximation. On summary data of 15 lines the sodium abundance is determined:-5.78dex.

  9. Absolute, time-resolved emission of non-LTE L-shell spectra from Ti-doped aerogels

    International Nuclear Information System (INIS)

    Back, C.A.; Feldman, U.; Weaver, J.L.; Seely, J.F.; Constantin, C.; Holland, G.; Lee, R.W.; Chung, H.-K.; Scott, H.A.

    2006-01-01

    Outstanding discrepancies between data and calculations of laser-produced plasmas in recombination have been observed since the 1980s. Although improvements in hydrodynamic modeling may reduce the discrepancies, there are indications that non-LTE atomic kinetics may be the dominant cause. Experiments to investigate non-LTE effects were recently performed at the NIKE KrF laser on low-density Ti-doped aerogels. The laser irradiated a 2mm diameter, cylindrical sample of various lengths with a 4-ns square pulse to create a volumetrically heated plasma. Ti L-shell spectra spanning a range of 0.47-3keV were obtained with a transmission grating coupled to Si photodiodes. The diagnostic can be configured to provide 1-dimensional spatial resolution at a single photon energy, or 18 discrete energies with a resolving power, λ/δλ of 3-20. The data are examined and compared to calculations to develop absolute emission measurements that can provide new tests of the non-LTE physics

  10. Absolute, time-resolved emission of non-LTE L-shell spectra from Ti-doped aerogels

    Energy Technology Data Exchange (ETDEWEB)

    Back, C.A. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States)]. E-mail: tinaback@llnl.gov; Feldman, U. [Artep Inc. 2922 Excelsior Ct., Ellicott City, MD 21042 (United States); Weaver, J.L. [Naval Research Laboratory, 4555 Overlook Drive, SW, Washington DC 20375 (United States); Seely, J.F. [Naval Research Laboratory, 4555 Overlook Drive, SW, Washington DC 20375 (United States); Constantin, C. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States); Holland, G. [Naval Research Laboratory, 4555 Overlook Drive, SW, Washington DC 20375 (United States); Lee, R.W. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States); Chung, H.-K. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States); Scott, H.A. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States)

    2006-05-15

    Outstanding discrepancies between data and calculations of laser-produced plasmas in recombination have been observed since the 1980s. Although improvements in hydrodynamic modeling may reduce the discrepancies, there are indications that non-LTE atomic kinetics may be the dominant cause. Experiments to investigate non-LTE effects were recently performed at the NIKE KrF laser on low-density Ti-doped aerogels. The laser irradiated a 2mm diameter, cylindrical sample of various lengths with a 4-ns square pulse to create a volumetrically heated plasma. Ti L-shell spectra spanning a range of 0.47-3keV were obtained with a transmission grating coupled to Si photodiodes. The diagnostic can be configured to provide 1-dimensional spatial resolution at a single photon energy, or 18 discrete energies with a resolving power, {lambda}/{delta}{lambda} of 3-20. The data are examined and compared to calculations to develop absolute emission measurements that can provide new tests of the non-LTE physics.

  11. Non-LTE effects in Al I lines

    Science.gov (United States)

    Menzhevitski, V. S.; Shimansky, V. V.; Shimanskaya, N. N.

    2012-07-01

    We present the theoretical analysis of the Al I line formation in the spectra of late-type stars ignoring the assumption of local thermodynamic equilibrium (LTE). The calculations were based on the 39-level aluminum atom model for one-dimensional hydrostatic stellar atmosphere models with the parameters: T eff from 4000 to 9000 K, log g = 0.0-4.5, and metallicity [ A] = 0.0;-1.0;-2.0;-3.0;-4.0. The aluminum atom model and the method of calculations were tested by the study of line profiles in the solar spectrum. We refined the oscillator strengths and Van-der-Vaals broadening constants C 6 of the investigated transitions. We conclude that the Al I atom is in the overionization state: the 3 p level is underpopulated in the line formation region. This leads to the line weakening, as compared with the LTE results. The overionization effect becomes more pronounced with increasing temperature and decreasing metallicity. We show that the use of various atomic data (ionization cross-sections) for the low levels of Al I does not change the behavior of non-LTE deviations, whereas the value of these deviations varies essentially. For nine selected Al I lines we calculated the grids of theoretical non-LTE corrections (Δ X NLTE = log ɛ NLTE - log ɛ LTE) to the Al abundances determinedwith the LTE assumption. The non-LTE corrections are positive and significant for the stars with temperatures T eff > 6000 K. These corrections weakly depend on log g, and increase with declining stellar metallicity.

  12. Non-LTE radiation in laser-disk target couply

    International Nuclear Information System (INIS)

    Gu Peijun; Fei Weibing; Feng Tinggui; Wu Changshu

    2004-11-01

    The coupling of laser-disk target has been studied by Multi-group radiation transfer code RDMGL. The results show that the X-ray spectra are strongly non-LTE and dependent on the atomic model. The plasma states, laser energy absorption and X-ray conversion rates are almost the same as those simulated by three-temperature model code, which fact shows that the three-temperature model is reasonable to describe the exchange of different kinds of energy and the hydrodynamic phenomena of plasmas in laser-target coupling. (authors)

  13. Improved non-LTE simulation algorithm

    Science.gov (United States)

    Busquet, Michel; Klapisch, Marcel; Colombant, Denis; Fyfe, David; Gardner, John

    2008-11-01

    The RAdiation Dependent Ionization Model (RADIOM)- a.k.a Busquet's model-[1] has proven its success in simulating non --LTE effects in laser fusion plasmas [2]. This improved algorithm can take into account Auger effect by a new parameter fitted to SCROLL [3] results. It is independent of the photon binning thanks to a projection on a standard grid. It guarantees smoother convergence to LTE. This algorithm has been implemented in a new way in the hydro-code FASTnD. Hydro simulations on the recent subMJ targets[4], with and without non-LTE corrections will be shown. [1] M. Busquet, Phys. Fluids B 5, 4191(1993). [2] D.G. Colombant et al, Phys. Plas. 7,2046 (2000). [3] A. Bar-Shalom, J. Oreg M. Klapisch, J. Quant. Spectr. Rad. Transf. 65 ,43 (2000). [4] S. P. Obenschain, D. G. Colombant, A. J. Schmitt et al., Phys. Plasmas 13, 056320 (2006).

  14. Non-LTE treatment of beryllium lines: Misidentification of the solar Be I feature at 2650 A

    International Nuclear Information System (INIS)

    Shipman, H.L.; Auer, L.H.

    1979-01-01

    We investigated the formation of beryllium lines, with particular reference to the solar Be spectrum, in a non-LTE context with a 25-level model atom in which 15 levels were allowed to depart from LTE. In some transitions, particularly the Be I lambda2650 line, the non-LTE effects can be quite dramatic, changing the deduced abundances by a factor of 4. Based on our non-LTE calculations and Copernicus observations of other stars, we find that a solar spectral feature at 2650 A, previously identified by numerous investigators as a Be I line, cannot be produced by Be I. Non-LTE effects on the Be II lambda3131 A line, used for most Be abundance determinations in the literature, are small by comparison

  15. A non-LTE treatment of beryllium lines - Misidentification of the solar Be I feature at 2650 A

    Science.gov (United States)

    Shipman, H. L.; Auer, L. H.

    1979-01-01

    The formation of beryllium lines, with particular reference to the solar Be spectrum, is investigated in a non-LTE context with a 25-level model atom in which 15 levels are allowed to depart from LTE. In some transitions, particularly the Be I 2650-A line, the non-LTE effects can be quite dramatic, changing the deduced abundances by a factor of 4. Based on the non-LTE calculations and Copernicus observations of other stars, it is found that a solar spectral feature at 2650 A, previously identified by numerous investigators as a Be I line, cannot be produced by Be I. Non-LTE effects on the Be II 3131-A line, used for most Be abundance determinations in the literature, are small by comparison.

  16. Electron temperature determination in LTE and non-LTE plasmas

    International Nuclear Information System (INIS)

    Eddy, T.L.

    1983-01-01

    This article discusses how most experimental investigations assume a type of ''thermal equilibrium'' in which the excited levels are assumed to be populated according to the electron kinetic temperature, in the determination of electron temperature in LTE and non-LTE plasmas. This is justified on the basis that electron collisions dominate the equilibration of adjacent excited levels as shown by Byron, Stabler and Boartz. The comparison of temperature values calculated by various common methods as a check for local thermodynamic equilibrium (LTDE) or local thermal equilibrium (LTE) of the upper excited levels and the free electrons has been shown to indicate the excitation temperature in all cases utilized. Thomas shows that the source function of the first excited level may be dominated by non-local radiation, which would usually result in a different population than local collisional excitation would provide. Ionization from upper levels is by collisional means. The result may yield different valued excitation and electron temperatures

  17. A New Non-LTE Model based on Super Configurations

    Science.gov (United States)

    Bar-Shalom, A.; Klapisch, M.

    1996-11-01

    Non-LTE effects are vital for the simulation of radiation in hot plasmas involving even medium Z materials. However, the exceedingly large number of atomic energy levels forbids using a detailed collisional radiative model on-line in the hydrodynamic simulations. For this purpose, greatly simplified models are required. We implemented recently Busquet's model(M. Busquet, Phys. Fluids B, 5, 4191 (1993)) in NRL's RAD2D Hydro code in conservative form (M. Klapisch et al., Bull. Am. Phys. Soc., 40, 1806 (1995), and poster at this meeting.). This model is quick and the results make sense, but in the absence of precisely defined experiments, it is difficult to asses its accuracy. We present here a new collisional radiative model based on superconfigurations( A. Bar-Shalom, J. Oreg, J. F. Seely, U. Feldman, C. M. Brown, B. A. Hammel, R. W. Lee and C. A. Back, Phys. Rev. E, 52, 6686 (1995).), intended to be a benchmark for approximate models used in hydro-codes. It uses accurate rates from the HULLAC Code. Results for various elements will be presented and compared with RADIOM.

  18. Non-LTE diagnositics of infrared radiation of Titan's atmosphere

    Science.gov (United States)

    Feofilov, Artem; Rezac, Ladislav; Kutepov, Alexander; Vinatier, Sandrine; Rey, Michael; Nikitin, Andrew; Tyuterev, Vladimir

    2016-06-01

    Yelle (1991) and Garcia-Comas et al, (2011) demonstrated the importance of accounting for the local thermodynamic equilibrium (LTE) breakdown in the middle and upper atmosphere of Titan for the interpretation of infrared radiances measured at these heights. In this work, we make further advance in this field by: • updating the non-LTE model of CH4 emissions in Titan's atmosphere and including a new extended database of CH4 spectroscopic parameters • studying the non-LTE CH4 vibrational level populations and the impact of non-LTE on limb infrared emissions of various CH4 ro-vibrational bands including those at 7.6 and 3.3 µm • implementing our non-LTE model into the LTE-based retrieval algorithm applied by Vinatier et al., (2015) for processing the Cassini/CIRS spectra. We demonstrate that accounting for non-LTE leads to an increase in temperatures retrieved from CIRS 7.6 µm limb emissions spectra (˜10 K at 600 km altitude) and estimate how this affects the trace gas density retrieval. Finally, we discuss the effects of including a large number of weak one-quantum and combinational bands on the calculated daytime limb 3.3 µm emissions and the impact they may have on the CH4 density retrievals from the Cassini VIMS 3.3 µm limb emission observations.

  19. Some non-LTE diagnostic methods for hydrogen plasmas

    International Nuclear Information System (INIS)

    Eddy, T.L.; Cho, K.Y.

    1986-01-01

    This paper shows that if electric and magnetic fields are not negligible, then the 2-T model assumed by many non-LTE plasma diagnostic techniques may lead to serious errors. Significant difference between T e and T ex have been shown to exist with electric field strengths as low as ∼10 V/cm. Multithermal equilibrium (MTE) calculations show significant deviations in line emission coefficients when T e ≠ T ex compared to equivalent T e ≠ T q . A quasi non-dimentional MTE continuum relation is present to assist in diagnostics. Normalized line emission coefficients verses N e are used to indicate the type and extent of non-LTE. The MTE state diagram for hydrogen is used to show why non-LTE plasmas often appear to be in LTE based on N e determinations

  20. Time-dependent ionization balance model for non-LTE plasma

    International Nuclear Information System (INIS)

    Lee, Y.T.; Zimmerman, G.B.; Bailey, D.S.; Dickson, D.; Kim, D.

    1986-01-01

    We have developed a detailed configuration-accounting kinetic model for calculating time-dependent ionization-balance and ion-level populations in non-local thermal-equilibrium (non-LTE) plasmas. We use these population estimates in computing spectral line intensities, line ratios, and synthetic spectra, and in fitting these calculated values to experimental measurements. The model is also used to design laboratory x-ray laser experiments. For this purpose, it is self-consistently coupled to the hydrodynamics code LASNEX. 20 refs., 14 figs

  1. The ALI-ARMS Code for Modeling Atmospheric non-LTE Molecular Band Emissions: Current Status and Applications

    Science.gov (United States)

    Kutepov, A. A.; Feofilov, A. G.; Manuilova, R. O.; Yankovsky, V. A.; Rezac, L.; Pesnell, W. D.; Goldberg, R. A.

    2008-01-01

    The Accelerated Lambda Iteration (ALI) technique was developed in stellar astrophysics at the beginning of 1990s for solving the non-LTE radiative transfer problem in atomic lines and multiplets in stellar atmospheres. It was later successfully applied to modeling the non-LTE emissions and radiative cooling/heating in the vibrational-rotational bands of molecules in planetary atmospheres. Similar to the standard lambda iterations ALI operates with the matrices of minimal dimension. However, it provides higher convergence rate and stability due to removing from the iterating process the photons trapped in the optically thick line cores. In the current ALI-ARMS (ALI for Atmospheric Radiation and Molecular Spectra) code version additional acceleration of calculations is provided by utilizing the opacity distribution function (ODF) approach and "decoupling". The former allows replacing the band branches by single lines of special shape, whereas the latter treats non-linearity caused by strong near-resonant vibration-vibrational level coupling without additional linearizing the statistical equilibrium equations. Latest code application for the non-LTE diagnostics of the molecular band emissions of Earth's and Martian atmospheres as well as for the non-LTE IR cooling/heating calculations are discussed.

  2. Non-LTE considerations in spectral diagnostics of thermal transport and implosion experiments

    International Nuclear Information System (INIS)

    Epstein, R.; Skupsky, S.; Delettrez, J.; Yaakobi, B.

    1984-01-01

    Recent thermal-transport and target-implosion experiments have used the emission of radiation from highly-ionized ions to signal the advance of laser-driven heat fronts and to mark the trajectories and stagnation points of imploding shells. We examine the results of such experiments with particular attention given to non-LTE effects of non-Maxwellian electrons and of finite ionization times on the populations of signature-emitting atomic species and on the formation of signature spectra and x-ray images in these experiments

  3. Improvements to the RADIOM non-LTE model

    Science.gov (United States)

    Busquet, M.; Colombant, D.; Klapisch, M.; Fyfe, D.; Gardner, J.

    2009-12-01

    In 1993, we proposed the RADIOM model [M. Busquet, Phys. Fluids 85 (1993) 4191] where an ionization temperature T z is used to derive non-LTE properties from LTE data. T z is obtained from an "extended Saha equation" where unbalanced transitions, like radiative decay, give the non-LTE behavior. Since then, major improvements have been made. T z has been shown to be more than a heuristic value, but describes the actual distribution of excited and ionized states and can be understood as an "effective temperature". Therefore we complement the extended Saha equation by introducing explicitly the auto-ionization/dielectronic capture. Also we use the SCROLL model to benchmark the computed values of T z.

  4. Hydrogenic ionization model for mixtures in non-LTE plasmas

    International Nuclear Information System (INIS)

    Djaoui, A.

    1999-01-01

    The Hydrogenic Ionization Model for Mixtures (HIMM) is a non-Local Thermodynamic Equilibrium (non-LTE), time-dependent ionization model for laser-produced plasmas containing mixtures of elements (species). In this version, both collisional and radiative rates are taken into account. An ionization distribution for each species which is consistent with the ambient electron density is obtained by use of an iterative procedure in a single calculation for all species. Energy levels for each shell having a given principal quantum number and for each ion stage of each species in the mixture are calculated using screening constants. Steady-state non-LTE as well as LTE solutions are also provided. The non-LTE rate equations converge to the LTE solution at sufficiently high densities or as the radiation temperature approaches the electron temperature. The model is particularly useful at low temperatures where convergence problems are usually encountered in our previous models. We apply our model to typical situation in x-ray laser research, laser-produced plasmas and inertial confinement fusion. Our results compare well with previously published results for a selenium plasma. (author)

  5. Non-LTE models of Titan's upper atmosphere

    Science.gov (United States)

    Yelle, Roger V.

    1991-01-01

    Models for the thermal structure of Titan's upper atmosphere, between 0.1 mbar and 0.01 nbar are presented. The calculations include non-LTE heating/cooling in the rotation-vibration bands of CH4, C2H2, and C2H6, absorption of solar IR radiation in the near-IR bands of CH4 and subsequent cascading to the nu-4 band of CH4, absorption of solar EUV and UV radiation, thermal conduction and cooling by HCN rotational lines. Unlike earlier models, the calculated exospheric temperature agrees well with observations, because of the importance of HCN cooling. The calculations predict a well-developed mesopause with a temperature of 135-140 K at an altitude of approximately 600 km and pressure of about 0.1 microbar. The mesopause is at a higher pressure than predicted by earlier calculations because non-LTE radiative transfer in the rotation-vibration bands of CH4, C2H2, and C2H6 is treated in an accurate manner. The accuracy of the LTE approximation for source functions and heating rates is discussed.

  6. Improvements to Busquet's Non LTE algorithm in NRL's Hydro code

    Science.gov (United States)

    Klapisch, M.; Colombant, D.

    1996-11-01

    Implementation of the Non LTE model RADIOM (M. Busquet, Phys. Fluids B, 5, 4191 (1993)) in NRL's RAD2D Hydro code in conservative form was reported previously(M. Klapisch et al., Bull. Am. Phys. Soc., 40, 1806 (1995)).While the results were satisfactory, the algorithm was slow and not always converging. We describe here modifications that address the latter two shortcomings. This method is quicker and more stable than the original. It also gives information about the validity of the fitting. It turns out that the number and distribution of groups in the multigroup diffusion opacity tables - a basis for the computation of radiation effects in the ionization balance in RADIOM- has a large influence on the robustness of the algorithm. These modifications give insight about the algorithm, and allow to check that the obtained average charge state is the true average. In addition, code optimization resulted in greatly reduced computing time: The ratio of Non LTE to LTE computing times being now between 1.5 and 2.

  7. Detailed non-LTE calculations of the iron emission from NGC 1068

    Science.gov (United States)

    Band, David L.; Klein, Richard I.; Castor, John I.; Nash, J. K.

    1989-01-01

    The X-ray iron line emission from NGC 1068 observed by the Ginga satellite is modeled using the new multiline, multilevel, non-LTE radiative transport code ALTAIR and a detailed atomic model for Ne-like through stripped iron. The parameter space of the obscured type 1 Seyfert nucleus model for this object is studied. The equivalent width is greater than previously predicted. It is found that detailed radiative transfer can have a significant effect on the observed line flux both for the K alpha line and for the L-shell emission. The ionization of the iron increases with temperature. Therefore the K alpha equivalent width and energy is a function not only of the ionization parameter, but also of the column depth and temperature. For a likely model of NGC 1068 it is found that the iron abundance is about twice solar, but that modifications of this model may permit a smaller abundance.

  8. A conjugate gradient method for solving the non-LTE line radiation transfer problem

    Science.gov (United States)

    Paletou, F.; Anterrieu, E.

    2009-12-01

    This study concerns the fast and accurate solution of the line radiation transfer problem, under non-LTE conditions. We propose and evaluate an alternative iterative scheme to the classical ALI-Jacobi method, and to the more recently proposed Gauss-Seidel and successive over-relaxation (GS/SOR) schemes. Our study is indeed based on applying a preconditioned bi-conjugate gradient method (BiCG-P). Standard tests, in 1D plane parallel geometry and in the frame of the two-level atom model with monochromatic scattering are discussed. Rates of convergence between the previously mentioned iterative schemes are compared, as are their respective timing properties. The smoothing capability of the BiCG-P method is also demonstrated.

  9. A non-LTE study of neutral calcium in late-type stars with special reference to Pollux

    International Nuclear Information System (INIS)

    Drake, J.J.; Texas Univ., Austin, TX

    1991-01-01

    Detailed simultaneous radiative transfer-statistical equilibrium calculations have been undertaken for neutral calcium using model stellar atmospheres corresponding to a variety of late spectral types. The results are used to investigate non-LTE effects and trends with differing stellar parameters, and to estimate the likely influence of departures from LTE on model atmosphere analyses. The behaviour of individual Ca I atomic levels and lines are discussed in connection with calculations carried out for a model atmosphere corresponding to the KO III giant Pollux (β Gem). (author)

  10. The continuous UV flux of alpha lyrae: NON-LTE results

    International Nuclear Information System (INIS)

    Snijders, M.A.J.

    1977-01-01

    Non--LTE calculations for the ultraviolet C I and Si I continuous opacity show that LTE results overestimate the importance of these sources of opacity and underestimate the emergent flux in α Lyr. The largest errors occur between 1100 and 1160 A where the predicted flux in non--LTE is as much as 50 times larger than in LTE, in reasonable accord with Copernicus observations.The discrepancy between LTE models and observations has been interpreted by Praderie et al. to result from the existence of a chromosphere. Until a self--consistent non-LTE model atmosphere becomes available, such an interpretation is premature

  11. The continuous UV flux of Alpha Lyrae - Non-LTE results

    Science.gov (United States)

    Snijders, M. A. J.

    1977-01-01

    Non-LTE calculations for the ultraviolet C I and Si I continuous opacity show that LTE results overestimate the importance of these sources of opacity and underestimate the emergent flux in Alpha Lyr. The largest errors occur between 1100 and 1160 A, where the predicted flux in non-LTE is as much as 50 times larger than in LTE, in reasonable accord with Copernicus observations. The discrepancy between LTE models and observations has been interpreted to result from the existence of a chromosphere. Until a self-consistent non-LTE model atmosphere becomes available, such an interpretation is premature.

  12. Non-LTE model atmosphere analysis of Nova Cygni 1992

    Science.gov (United States)

    Hauschildt, P. H.; Starrfield, S.; Austin, S.; Wagner, R. M.; Shore, S. N.; Sonneborn, G.

    1994-01-01

    We use spherically symmetric non-local thermodynamic equilibrium (non-LTE), line-blanketed, expanding model atmospheres to analyze the International Ultraviolet Explorer (IUE) and optical spectra of Nova Cygni 1992 during the early phases of its outburst. We find that the first IUE spectrum obtained just after discovery on 1992 February 20, is best reproduced by a model atmosphere with a steep density gradient and homologous expansion, whereas the IUE and optical spectra obtained on February 24 show an extended, optically thick, wind structure. Therefore, we distinguish two phases of the early evolution of the nova photosphere: the initial, rapid, 'fireball' phase and the subsequent, much longer, optically thick 'wind' phase. The importance of line-blanketing in nova spectra is demonstrated. Our preliminary abundance analysis implies that hydrogen is depeleted in the ejecta, corresponding to abundance enhancements of Fe by a factor of approximately 2 and of CNO by more than a factor of 10 when compared to solar abundances. The synthetic spectra reproduce both the observed pseudo-continua as well as most of the observed features from the UV to the optical spectral range and demonstrate the importance of obtaining nearly simultaneous UV and optical spectra for performing accurate analyses of expanding stellar atmospheres (for both novae and supernovae).

  13. Recent advances in non-LTE stellar atmosphere models

    Science.gov (United States)

    Sander, Andreas A. C.

    2017-11-01

    In the last decades, stellar atmosphere models have become a key tool in understanding massive stars. Applied for spectroscopic analysis, these models provide quantitative information on stellar wind properties as well as fundamental stellar parameters. The intricate non-LTE conditions in stellar winds dictate the development of adequate sophisticated model atmosphere codes. The increase in both, the computational power and our understanding of physical processes in stellar atmospheres, led to an increasing complexity in the models. As a result, codes emerged that can tackle a wide range of stellar and wind parameters. After a brief address of the fundamentals of stellar atmosphere modeling, the current stage of clumped and line-blanketed model atmospheres will be discussed. Finally, the path for the next generation of stellar atmosphere models will be outlined. Apart from discussing multi-dimensional approaches, I will emphasize on the coupling of hydrodynamics with a sophisticated treatment of the radiative transfer. This next generation of models will be able to predict wind parameters from first principles, which could open new doors for our understanding of the various facets of massive star physics, evolution, and death.

  14. The influence of electron collisions on non-LTE Li line formation in stellar atmospheres

    International Nuclear Information System (INIS)

    Osorio, Yeisson; Barklem, Paul; Lind, Karin; Asplund, Martin

    2012-01-01

    The influence of the uncertainties in the rate coefficient data for electron-impact excitation and ionization on non-LTE Li line formation in cool stellar atmospheres is investigated. We examine the electron collision data used in previous non-LTE calculations and compare them to our own calculations using the R-matrix with pseudostates (RMPS) method and to other calculations found in the literature.

  15. Non-LTE line formation of Fe in late-type stars - III. 3D non-LTE analysis of metal-poor stars

    DEFF Research Database (Denmark)

    Amarsi, A. M.; Lind, K.; Asplund, M.

    2016-01-01

    As one of the most important elements in astronomy, iron abundance determinations need to be as accurate as possible. We investigate the accuracy of spectroscopic iron abundance analyses using archetypal metal-poor stars. We perform detailed 3D non-LTE radiative transfer calculations based on 3D...

  16. NON-LTE INVERSIONS OF THE Mg ii h and k AND UV TRIPLET LINES

    Energy Technology Data Exchange (ETDEWEB)

    De la Cruz Rodríguez, Jaime; Leenaarts, Jorrit [Institute for Solar Physics, Dept. of Astronomy, Stockholm University, AlbaNova University Centre, SE-106 91 Stockholm Sweden (Sweden); Ramos, Andrés Asensio [Instituto de Astrofísica de Canarias, E-38205, La Laguna, Tenerife (Spain)

    2016-10-20

    The Mg ii h and k lines are powerful diagnostics for studying the solar chromosphere. They have become particularly popular with the launch of the Interface Region Imaging Spectrograph ( IRIS ) satellite, and a number of studies that include these lines have lead to great progress in understanding chromospheric heating, in many cases thanks to the support from 3D MHD simulations. In this study, we utilize another approach to analyze observations: non-LTE inversions of the Mg ii h and k and UV triplet lines including the effects of partial redistribution. Our inversion code attempts to construct a model atmosphere that is compatible with the observed spectra. We have assessed the capabilities and limitations of the inversions using the FALC atmosphere and a snapshot from a 3D radiation-MHD simulation. We find that Mg ii h and k allow reconstructing a model atmosphere from the middle photosphere to the transition region. We have also explored the capabilities of a multi-line/multi-atom setup, including the Mg ii h and k, the Ca ii 854.2 nm, and the Fe i 630.25 lines to recover the full stratification of physical parameters, including the magnetic field vector, from the photosphere to the chromosphere. Finally, we present the first inversions of observed IRIS spectra from quiet-Sun, plage, and sunspot, with very promising results.

  17. New computational method for non-LTE, the linear response matrix

    International Nuclear Information System (INIS)

    Fournier, K.B.; Grasiani, F.R.; Harte, J.A.; Libby, S.B.; More, R.M.; Zimmerman, G.B.

    1998-01-01

    My coauthors have done extensive theoretical and computational calculations that lay the ground work for a linear response matrix method to calculate non-LTE (local thermodynamic equilibrium) opacities. I will give briefly review some of their work and list references. Then I will describe what has been done to utilize this theory to create a computational package to rapidly calculate mild non-LTE emission and absorption opacities suitable for use in hydrodynamic calculations. The opacities are obtained by performing table look-ups on data that has been generated with a non-LTE package. This scheme is currently under development. We can see that it offers a significant computational speed advantage. It is suitable for mild non-LTE, quasi-steady conditions. And it offers a new insertion path for high-quality non-LTE data. Currently, the linear response matrix data file is created using XSN. These data files could be generated by more detailed and rigorous calculations without changing any part of the implementation in the hydro code. The scheme is running in Lasnex and is being tested and developed

  18. Hydrogen atom kinetics in capacitively coupled plasmas

    Science.gov (United States)

    Nunomura, Shota; Katayama, Hirotaka; Yoshida, Isao

    2017-05-01

    Hydrogen (H) atom kinetics has been investigated in capacitively coupled very high frequency (VHF) discharges at powers of 16-780 mW cm-2 and H2 gas pressures of 0.1-2 Torr. The H atom density has been measured using vacuum ultra violet absorption spectroscopy (VUVAS) with a micro-discharge hollow cathode lamp as a VUV light source. The measurements have been performed in two different electrode configurations of discharges: conventional parallel-plate diode and triode with an intermediate mesh electrode. We find that in the triode configuration, the H atom density is strongly reduced across the mesh electrode. The H atom density varies from ˜1012 cm-3 to ˜1010 cm-3 by crossing the mesh with 0.2 mm in thickness and 36% in aperture ratio. The fluid model simulations for VHF discharge plasmas have been performed to study the H atom generation, diffusion and recombination kinetics. The simulations suggest that H atoms are generated in the bulk plasma, by the electron impact dissociation (e + H2 \\to e + 2H) and the ion-molecule reaction (H2 + + H2 \\to {{{H}}}3+ + H). The diffusion of H atoms is strongly limited by a mesh electrode, and thus the mesh geometry influences the spatial distribution of the H atoms. The loss of H atoms is dominated by the surface recombination.

  19. Iterative Methods for the Non-LTE Transfer of Polarized Radiation: Resonance Line Polarization in One-dimensional Atmospheres

    Science.gov (United States)

    Trujillo Bueno, Javier; Manso Sainz, Rafael

    1999-05-01

    This paper shows how to generalize to non-LTE polarization transfer some operator splitting methods that were originally developed for solving unpolarized transfer problems. These are the Jacobi-based accelerated Λ-iteration (ALI) method of Olson, Auer, & Buchler and the iterative schemes based on Gauss-Seidel and successive overrelaxation (SOR) iteration of Trujillo Bueno and Fabiani Bendicho. The theoretical framework chosen for the formulation of polarization transfer problems is the quantum electrodynamics (QED) theory of Landi Degl'Innocenti, which specifies the excitation state of the atoms in terms of the irreducible tensor components of the atomic density matrix. This first paper establishes the grounds of our numerical approach to non-LTE polarization transfer by concentrating on the standard case of scattering line polarization in a gas of two-level atoms, including the Hanle effect due to a weak microturbulent and isotropic magnetic field. We begin demonstrating that the well-known Λ-iteration method leads to the self-consistent solution of this type of problem if one initializes using the ``exact'' solution corresponding to the unpolarized case. We show then how the above-mentioned splitting methods can be easily derived from this simple Λ-iteration scheme. We show that our SOR method is 10 times faster than the Jacobi-based ALI method, while our implementation of the Gauss-Seidel method is 4 times faster. These iterative schemes lead to the self-consistent solution independently of the chosen initialization. The convergence rate of these iterative methods is very high; they do not require either the construction or the inversion of any matrix, and the computing time per iteration is similar to that of the Λ-iteration method.

  20. Non-LTE profiles of the Al I autoionization lines. [for solar model atmospheres

    Science.gov (United States)

    Finn, G. D.; Jefferies, J. T.

    1974-01-01

    A non-LTE formulation is given for the transfer of radiation in the autoionizing lines of neutral aluminum at 1932 and 1936 A through both the Bilderberg and Harvard-Smithsonian model atmospheres. Numerical solutions for the common source function of these lines and their theoretical line profiles are calculated and compared with the corresponding LTE profiles. The results show that the non-LTE profiles provide a better match with the observations. They also indicate that the continuous opacity of the standard solar models should be increased in this wavelength region if the center-limb variations of observed and theoretical profiles of these lines are to be in reasonable agreement.

  1. Collisional-radiative switching - A powerful technique for converging non-LTE calculations

    Science.gov (United States)

    Hummer, D. G.; Voels, S. A.

    1988-01-01

    A very simple technique has been developed to converge statistical equilibrium and model atmospheric calculations in extreme non-LTE conditions when the usual iterative methods fail to converge from an LTE starting model. The proposed technique is based on a smooth transition from a collision-dominated LTE situation to the desired non-LTE conditions in which radiation dominates, at least in the most important transitions. The proposed approach was used to successfully compute stellar models with He abundances of 0.20, 0.30, and 0.50; Teff = 30,000 K, and log g = 2.9.

  2. A non-LTE study of silicon line formation in early-type main-sequence atmospheres.

    Science.gov (United States)

    Kamp, L. W.

    1973-01-01

    We have computed populations of 16 levels of Si III-V and radiation fields in all connecting transitions; in particular the first six Si III triplet levels, including the 4553 line, and the first six Si IV levels including 4089. The computations were done for four non-LTE H-He model atmospheres, provided by Auer and Mihalas. Estimates of corresponding MK types are B1.5 V, B0.5 V, O9 V, and O6. Solutions were obtained by iterating the linearized equations of radiative transfer and statistical equilibrium, except that for less important lines an approximate equivalent two-level atom treatment was used. Continuous opacities of C, N, O, and Ne were included. All abundances were solar values.

  3. New solar carbon abundance based on non-LTE CN molecular spectra

    International Nuclear Information System (INIS)

    Mount, G.H.; Linsky, J.L.

    1975-01-01

    A detailed non-LTE analysis of solar CN spectra strongly suggests a revised carbon abundance for the Sun. A value of log A/subc/=8.35plus-or-minus0.15 which is significantly lower than the presently accepted value of log A/subc/=8.55 is suggested. This revision may have important consequences in astrophysics

  4. Non-LTE calculations of Al III line strengths in early-type stars

    International Nuclear Information System (INIS)

    Dufton, P.L.; Brown, P.J.F.; Lennon, D.J.; Lynas-Gray, A.E.

    1986-01-01

    Non-LTE line formation calculations, based on the 'complete linearization method' are presented for the Al III ion in early-type stars. Equivalent widths, together with the corresponding LTE values, are tabulated for 15 ultraviolet and visible region transitions, for effective temperatures from 20 000 to 35 000 K, logarithmic gravities of 3.5, 4.0 and 4.5, microturbulent velocities of 0 and 5 km s -1 and logarithmic aluminium abundances of 6.0, 6.5 and 7.0. The non-LTE line strengths are significantly larger than the LTE values particularly for the visible region transitions and the implications of this are briefly discussed. (author)

  5. Non-LTE model atmospheres for supersoft X-ray sources

    Science.gov (United States)

    Rauch, T.; Werner, K.

    2010-02-01

    In the last decade, X-ray observations of hot stellar objects became available with unprecedented resolution and S/N ratio. For an adequate interpretation, fully metal-line blanketed Non-LTE model-atmospheres are necessary. The Tübingen Non-LTE Model Atmosphere Package (TMAP) can calculate such model atmospheres at a high level of sophistication. Although TMAP is not especially designed for the calculation of spectral energy distributions (SEDs) at extreme photospheric parameters, it can be employed for the spectral analysis of burst spectra of novae like V4743 Sgr or line identifications in observations of neutron stars with low magnetic fields in low-mass X-ray binaries (LMXBs) like EXO 0748-676.

  6. Non-LTE radiative transfer with lambda-acceleration - Convergence properties using exact full and diagonal lambda-operators

    Science.gov (United States)

    Macfarlane, J. J.

    1992-01-01

    We investigate the convergence properties of Lambda-acceleration methods for non-LTE radiative transfer problems in planar and spherical geometry. Matrix elements of the 'exact' A-operator are used to accelerate convergence to a solution in which both the radiative transfer and atomic rate equations are simultaneously satisfied. Convergence properties of two-level and multilevel atomic systems are investigated for methods using: (1) the complete Lambda-operator, and (2) the diagonal of the Lambda-operator. We find that the convergence properties for the method utilizing the complete Lambda-operator are significantly better than those of the diagonal Lambda-operator method, often reducing the number of iterations needed for convergence by a factor of between two and seven. However, the overall computational time required for large scale calculations - that is, those with many atomic levels and spatial zones - is typically a factor of a few larger for the complete Lambda-operator method, suggesting that the approach should be best applied to problems in which convergence is especially difficult.

  7. A non-LTE retrieval scheme for sounding the upper atmosphere of Mars in the infrared

    Science.gov (United States)

    Lopez-Valverde, Miguel Angel; García-Comas, Maya; Funke, Bernd; Jimenez-Monferrer, Sergio; Lopez-Puertas, Manuel

    2016-04-01

    Several instruments on board Mars Express have been sounding the upper atmosphere of Mars systematically in a limb geometry in the IR part of the spectrum. Two of them in particular, OMEGA and PFS, performed emission measurements during daytime and detected the strongest IR bands of species like CO2 and CO (Piccialli et al, JGRE, submitted). Similarly on Venus, the instrument VIRTIS carried out observations of CO2 and CO bands at 2.7, 4.3 and 4.7 um at high altitudes (Gilli et al, JGRE, 2009). All these daylight atmospheric emissions respond to fluorescent situations, a case of non-local thermodynamic equilibrum conditions (non-LTE), well understood nowadays using comprehensive non-LTE theoretical models and tools (Lopez-Valverde et al., Planet. Space Sci., 2011). However, extensive exploitation of these emissions has only been done in optically thin conditions to date (Gilli et al, Icarus, 2015) or in a broad range of altitudes if in nadir geometry (Peralta et al, Apj, 2015). Within the H2020 project UPWARDS we aim at performing retrievals under non-LTE conditions including optically thick cases, like those of the CO2 and CO strongest bands during daytime in the upper atmosphere of Mars. Similar effort will also be applied eventually to Venus. We will present the non-LTE scheme used for such retrievals, based on similar efforts performed recently in studies of the Earth's upper atmosphere using data from the MIPAS instrument, on board Envisat (Funke et al., Atmos. Chem. Phys., 2009; Jurado-Navarro, PhD Thesis, Univ. Granada, 2015). Acknowledgemnt: This work is supported by the European Union's Horizon 2020 Programme under grant agreement UPWARDS-633127

  8. X-ray emission spectroscopy of well-characterised non-LTE plasmas

    International Nuclear Information System (INIS)

    Bourgaux, A C; Bastiani-Ceccotti, S; Audebert, P; Marquès, J R; Vassura, L; Vinci, T; Jacquemot, S; Dorchies, F; Leguay, P M; Chung, H K; Bowen, C; Dervieux, V; Renaudin, P; Silvert, V

    2016-01-01

    This paper will present an experimental platform developed on LULI2000 to measure x-ray emission of non-LTE plasmas in well-defined hydrodynamic conditions thanks to implementation of a whole set of diagnostics, including time-resolved electronic and ionic Thomson scattering and self-optical pyrometry. K-, L- and M-shell spectra will be presented and the methodology, that has been developed to analyze them, discussed. (paper)

  9. Evidence of non-LTE Effects in Mesospheric Water Vapor from Spectrally-Resolved Emissions Observed by CIRRIS-1A

    Science.gov (United States)

    Zhou, D. K.; Mlynczak, M. G.; Lopez-Puertas, M.; Zaragoza, G.

    1999-01-01

    Evidence of non-LTE effects in mesospheric water vapor as determined by infrared spectral emission measurements taken from the space shuttle is reported. A cryogenic Michelson interferometer in the CIRRIS-1A shuttle payload yielded high quality, atmospheric infrared spectra. These measurements demonstrate the enhanced daytime emissions of H2O (020-010) which are the result of non-LTE processes and in agreement with non-LTE models. The radiance ratios of H2O (010 to 000) and (020 to 010) Q(1) transitions during daytime are compared with non-LTE model calculations to assess the vibration-to-vibration exchange rate between H2O and O2 in the mesosphere. An exchange rate of 1.2 x 10(exp -12)cc/s is derived.

  10. Kinetics of elementary atom and radical reactions

    International Nuclear Information System (INIS)

    Gordon, R.J.

    1990-06-01

    During the past three years we have been working on four problems in the general area of gas phase kinetics and energy transfer of small molecules. These are: (1) measurements of the fine structure populations of ground state oxygen atoms produced in photodissociation reactions; (2) quenching of the Rydberg B ( 1 Σ + ) state of CO; (3) vibrational relaxation of highly excited molecules; and (4) kinetics of hydrogen molecules. The first two topics, which involve transitions between different electronic states of the parent molecule, are a departure from our previous research interests. In the accompanying renewal proposal we discuss plans to pursue these new topics vigorously during the coming year. The third topic is a continuation of our long interest in the energy dependence of the rates laws governing vibrational-to-translational energy transfer of molecules having large initial amounts of vibrational excitation. The final topic is a continuation of our studies of the reaction of O( 3 P) + H 2 . In this work we measured the rate constant for the reaction O( 3 P) with deuterium and also analyzed spectroscopically different sources of vibrationally excited hydrogen for possible future work. We discuss each of these four studies in the following sections

  11. Development of a Buried Layer Platform at the OMEGA laser to Study Coronal (nonLTE) Plasmas

    Science.gov (United States)

    Schneider, M. B.; Marley, E. V.; Brown, G. V.; Heeter, R. F.; Barrios, M. A.; Foord, M. E.; Gray, W. J.; Jarrott, L. C.; Liedahl, D. A.; Mauche, C. W.; Widmann, K.

    2016-10-01

    A buried layer platform is being developed at the OMEGA laser to study the radiative properties of coronal (non-LTE) plasmas (ne few 1021 /cm3 , Te 1 - 2 keV) of mid to high Z materials. In the current study, the target was a 200 μm square with equal atomic mixes of gold/iron/vanadium in the center of a 600 μm diameter, 10 μm thick beryllium tamper. The thickness of the buried layer was either 1200 A or 1800 A. Lasers heat the target from both sides for up to 4 ns. The size of the microdot vs time was measured with x-ray imaging (face-on) and x- ray spectroscopy (side-on). The radiant x-ray power was measured with a low-resolution absolutely calibrated x-ray spectrometer (DANTE). The temperature was measured from the Fe and V helium-beta complexes. The use of these measurements to deduce emissivity of the target in the 2-3 keV x-ray range and improvements for future experiments are discussed. This work was performed under the auspices of the U.S. Department of Energy by LLNS, LLC, under Contract No. DE-AC52-07NA27344.

  12. HELIOS-CR - A 1-D radiation-magnetohydrodynamics code with inline atomic kinetics modeling

    International Nuclear Information System (INIS)

    MacFarlane, J.J.; Golovkin, I.E.; Woodruff, P.R.

    2006-01-01

    HELIOS-CR is a user-oriented 1D radiation-magnetohydrodynamics code to simulate the dynamic evolution of laser-produced plasmas and z-pinch plasmas. It includes an in-line collisional-radiative (CR) model for computing non-LTE atomic level populations at each time step of the hydrodynamics simulation. HELIOS-CR has been designed for ease of use, and is well-suited for experimentalists, as well as graduate and undergraduate student researchers. The energy equations employed include models for laser energy deposition, radiation from external sources, and high-current discharges. Radiative transport can be calculated using either a multi-frequency flux-limited diffusion model, or a multi-frequency, multi-angle short characteristics model. HELIOS-CR supports the use of SESAME equation of state (EOS) tables, PROPACEOS EOS/multi-group opacity data tables, and non-LTE plasma properties computed using the inline CR modeling. Time-, space-, and frequency-dependent results from HELIOS-CR calculations are readily displayed with the HydroPLOT graphics tool. In addition, the results of HELIOS simulations can be post-processed using the SPECT3D Imaging and Spectral Analysis Suite to generate images and spectra that can be directly compared with experimental measurements. The HELIOS-CR package runs on Windows, Linux, and Mac OSX platforms, and includes online documentation. We will discuss the major features of HELIOS-CR, and present example results from simulations

  13. Influence of external radiation on non-LTE opacities of Xe

    Science.gov (United States)

    Klapisch, Marcel; Busquet, Michel

    2010-11-01

    In Laboratory Astrophysics, where astrophysics phenomena are scaled down to the laboratory, Xenon is commonly used. In most cases, astrophysical plasmas are not dense enough to warrant LTE. However, they are surrounded by radiation fields. Extensive detailed level computations of non-LTE Xe around Te = 100eV were performed with HULLAC [1], with different radiation temperatures and/or dilution factors. Generally, the effects are very important, even with small dilution factors. [4pt] [1] M. Klapisch and M. Busquet, High Ener. Dens. Phys.5, (2009) 105-9; Bull. Am. Phys. Soc.54, (2009) 210.

  14. 3D Multi-Level Non-LTE Radiative Transfer for the CO Molecule

    Science.gov (United States)

    Berkner, A.; Schweitzer, A.; Hauschildt, P. H.

    2015-01-01

    The photospheres of cool stars are both rich in molecules and an environment where the assumption of LTE can not be upheld under all circumstances. Unfortunately, detailed 3D non-LTE calculations involving molecules are hardly feasible with current computers. For this reason, we present our implementation of the super level technique, in which molecular levels are combined into super levels, to reduce the number of unknowns in the rate equations and, thus, the computational effort and memory requirements involved, and show the results of our first tests against the 1D implementation of the same method.

  15. Non-LTE line-blanketed model atmospheres of hot stars. 2: Hot, metal-rich white dwarfs

    Science.gov (United States)

    Lanz, T.; Hubeny, I.

    1995-01-01

    We present several model atmospheres for a typical hot metal-rich DA white dwarf, T(sub eff) = 60,000 K, log g = 7.5. We consider pure hydrogen models, as well as models with various abundances of two typical 'trace' elements-carbon and iron. We calculte a number of Local Thermodynamic Equilibrium (LTE) and non-LTE models, taking into account the effect of numerous lines of these elements on the atmospheric structure. We demostrate that while the non-LTE effects are notvery significant for pure hydrogen models, except for describing correctly the central emission in H-alpha they are essential for predicting correctly the ionization balance of metals, such as carbon and iron. Previously reported discrepancies in LTE abundances determinations using C III and C IV lines are easily explained by non-LTE effects. We show that if the iron abundance is larger than 10(exp -5), the iron line opacity has to be considered not only for the spectrum synthesis, but also in the model construction itself. For such metal abundances, non-LTE metal line-blanketed models are needed for detailed abundance studies of hot, metal-rich white dwarfs. We also discuss the predicted Extreme Ultraviolet (EUV) spectrum and show that it is very sensitive to metal abundances, as well as to non-LTE effects.

  16. Non-LTE radiating acoustic shocks and Ca II K2V bright points

    Science.gov (United States)

    Carlsson, Mats; Stein, Robert F.

    1992-01-01

    We present, for the first time, a self-consistent solution of the time-dependent 1D equations of non-LTE radiation hydrodynamics in solar chromospheric conditions. The vertical propagation of sinusoidal acoustic waves with periods of 30, 180, and 300 s is calculated. We find that departures from LTE and ionization recombination determine the temperature profiles of the shocks that develop. In LTE almost all the thermal energy goes into ionization, so the temperature rise is very small. In non-LTE, the finite transition rates delay the ionization to behind the shock front. The compression thus goes into thermal energy at the shock front leading to a high temperature amplitude. Further behind the shock front, the delayed ionization removes energy from the thermal pool, which reduces the temperature, producing a temperature spike. The 180 s waves reproduce the observed temporal changes in the calcium K line profiles quite well. The observed wing brightening pattern, the violet/red peak asymmetry and the observed line center behavior are all well reproduced. The short-period waves and the 5 minute period waves fail especially in reproducing the observed behavior of the wings.

  17. Non-LTE effects on the strength of the Lyman edge in quasar accretion disks

    Science.gov (United States)

    Stoerzer, H.; Hauschildt, P. H.; Allard, F.

    1994-01-01

    We have calculated UV/EUV (300 A which is less than or equal to lambda which is less than or equal to 1500 A) continuous energy distributions of accretion disks in the centers of active galactic nuclei (AGNs) for disk luminosities in the range 0.1 L(sub Edd) less than or equal to L(sub acc) less than 1.0 L(sub Edd) and central masses ranging from 10(exp 8) solar mass to 10(exp 9) solar mass. The vertical gas pressure structure of the disk and the disk height are obtained analytically; the temperature stratification and the resulting continuum radiation fields are calculated numerically. We have included non-Local Thermodynamic Equilibrium (LTE) effects of both the ionization equilibrium and the level populations of hydrogen and helium. We show that these non-LTE effects reduce the strength of the Lyman edge when comapred to the LTE case. In non-LTE we find that the edge can be weakly in emission or absorption for disks seen face-on, depending on the disk parameters.

  18. Target simulations with SCROLL non-LTE opacity/emissivity databases.

    Science.gov (United States)

    Klapisch, M.; Colombant, D.; Bar-Shalom, A.

    2001-10-01

    SCROLL[1], a collisional radiative model and code based on superconfigurations, is able to compute high Z non-LTE opacities and emissivities accurately and efficiently. It was used to create opacity/emissivity databases for Pd, Lu, Au on a 50 temperatures/80 densities grid. Incident radiation field was shown to have no effect on opacities in the case of interest, and was not taken into account. These databases were introduced in the hydrocode FAST1D[2]. SCROLL also gives an ionization temperature Tz which is used in FAST1D to obtain non-LTE corrections to the equation of state. Results will be compared to those of a previous version using Busquet’s algorithm[3]. Work supported by USDOE under a contract with NRL. [1] A. Bar-Shalom, J. Oreg and M. Klapisch, J. Quant. Spectrosc. Radiat. Transfer, 65, 43(2000). [2] J. H. Gardner, A. J. Schmitt, J. P. Dahlburg, C. J. Pawley, S. E. Bodner, S. P. Obenschain, V. Serlin and Y. Aglitskiy, Phys. Plasmas, 5, 1935 (1998). [3] M. Busquet, Phys. Fluids B, 5, 4191 (1993).

  19. An arc facility for investigating non-LTE thermodynamic and transport phenomena in low and high pressure plasmas

    International Nuclear Information System (INIS)

    Sedghinisab, A.; Eddy, T.L.; Murray, R.T.

    1986-01-01

    This paper discusses a high pressure arc facility modified for computerized control and data acquisition to simplify measurements of non-LTE plasmas. The non-LTE methods have shown that numerous spectral lines and continuum must be accurately, precisely and quickly measured.The instrumentation uses a 1-m monochrometer with programmed wavelength slews and scans; oplasma scans; and monitoring of chamber pressure, current, voltages, and location. Multiple flows of various gases can be provided simultaneously. Plasma self absorption is determined via a concave back mirror and shutter with final alignment via computer plots. The raw data is corrected for absorption, zeroed, centered and smoothed. The net line intensity is then determined and Abeled prior to feeding into LTE or non-LTE analysis methods. Sample results are presented at 0.1,1 and 10 atm

  20. Physics of Solar Prominences: I-Spectral Diagnostics and Non-LTE Modelling

    Science.gov (United States)

    Labrosse, N.; Heinzel, P.; Vial, J.-C,; Kucera, T.; Parenti, S.; Gunar, S.; Schmieder, B.; Kilper, G.

    2010-01-01

    This review paper outlines background information and covers recent advances made via the analysis of spectra and images of prominence plasma and the increased sophistication of non-LTE (i.e. when there is a departure from Local Thermodynamic Equilibrium) radiative transfer models. We first describe the spectral inversion techniques that have been used to infer the plasma parameters important for the general properties of the prominence plasma in both its cool core and the hotter prominence-corona transition region. We also review studies devoted to the observation of bulk motions of the prominence plasma and to the determination of prominence mass. However, a simple inversion of spectroscopic data usually fails when the lines become optically thick at certain wavelengths. Therefore, complex

  1. IUE observations of Si and C lines and comparison with non-LTE models

    Science.gov (United States)

    Kamp, L. W.

    1982-01-01

    Classical model atmosphere techniques are applied to analyze IUE spectra, and to determine abundances, effective temperatures and gravities. Measurements of the equivalent widths and other properties of the line profiles of 24 photospheric lines of Si II, Si III, Si IV, C II, C III and C IV are presented in the range of 1175-1725 A for seven B and two O stars. Observed line profiles are compared with theoretical profiles computed using non-LTE theory and models, and using line-blanketed model atmospheres. Agreement is reasonably good, although strong lines are calculated to be systematically stronger than those observed, while the reverse occurs for weak lines, and empirical profiles have smaller wings than theoretical profiles. It is concluded that the present theory of line formation when used with solar abundances, represents fairly well observed UV photospheric lines of silicon and carbon ions in the atmospheres of main sequence stars of types B5-O9.

  2. Limb-darkening coefficients from line-blanketed non-LTE hot-star model atmospheres

    Science.gov (United States)

    Reeve, D. C.; Howarth, I. D.

    2016-02-01

    We present grids of limb-darkening coefficients computed from non-local thermodynamic equilibrium (non-LTE), line-blanketed TLUSTY model atmospheres, covering effective-temperature and surface-gravity ranges of 15-55 kK and 4.75 dex (cgs) down to the effective Eddington limit, at 2×, 1×, 0.5× (Large Magellanic Cloud), 0.2× (Small Magellanic Cloud), and 0.1× solar. Results are given for the Bessell UBVRICJKHL, Sloan ugriz, Strömgren ubvy, WFCAM ZYJHK, Hipparcos, Kepler, and Tycho passbands, in each case characterized by several different limb-darkening `laws'. We examine the sensitivity of limb darkening to temperature, gravity, metallicity, microturbulent velocity, and wavelength, and make a comparison with LTE models. The dependence on metallicity is very weak, but limb darkening is a moderately strong function of log g in this temperature regime.

  3. Python Radiative Transfer Emission code (PyRaTE): non-LTE spectral lines simulations

    Science.gov (United States)

    Tritsis, A.; Yorke, H.; Tassis, K.

    2018-05-01

    We describe PyRaTE, a new, non-local thermodynamic equilibrium (non-LTE) line radiative transfer code developed specifically for post-processing astrochemical simulations. Population densities are estimated using the escape probability method. When computing the escape probability, the optical depth is calculated towards all directions with density, molecular abundance, temperature and velocity variations all taken into account. A very easy-to-use interface, capable of importing data from simulations outputs performed with all major astrophysical codes, is also developed. The code is written in PYTHON using an "embarrassingly parallel" strategy and can handle all geometries and projection angles. We benchmark the code by comparing our results with those from RADEX (van der Tak et al. 2007) and against analytical solutions and present case studies using hydrochemical simulations. The code will be released for public use.

  4. Non-LTE Analysis of Interstellar Line Spectra of SiO

    Science.gov (United States)

    Zhang, Ziwei; Stancil, Phillip C.

    2016-01-01

    SiO emission lines are important probes of chemical processes in diverse astrophysical environments. In circumstellar outflows of AGB stars, the production of silicate grains is preceded by SiO formation, making SiO a useful measure of Si depletion. SiO is also commonly observed in shocks associated with the outflows of young stellar objects, both low- and high-mass. To model SiO emission for non-LTE conditions requires collisional rate coefficients due to H2 impact which are currently unavailable. Unknown collisional rate coefficients are often estimated from known systems. For the case of SiO-H2, rate coefficients have previously been adapted from a different collider, He (Dayau & Balanca 2006), based on a reduced-mass scaling approach. Recently it has been suggested that scaling via the interaction potential well depth and the reduced masses of the collisional systems may be more reliable (Walker et al. 2014). Using the non-LTE spectral modeling package Radex (van der Tak et al. 2007), we construct diagnostic plots of SiO line ratios using SiO-H2 collisional rate coefficients based on (i) reduced-mass scaling from the LAMDA database, (ii) potential well-depth scaling, and (iii) a more comprehensive input with multiple colliders (H2, He and H). Our goal is to give a more rigorous approach to SiO line emission simulations to better understand Si chemistry, dust formation/destruction, and other astrophysical processes.This work was supported by NASA ATP grant NNX15AI61G.

  5. 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

  6. Testing the reliability of non-LTE spectroscopic models for complexions

    Czech Academy of Sciences Publication Activity Database

    Hansen, s.; Armstrong, G.S.J.; Bastiani-Ceccotti, S.; Bowen, C.; Chung, H.-K.; Colgan, J.P.; de Gaufridy de Dortan, Francois; Fontes, C.J.; Gilleron, F.; Marquès, J.-R.; Piron, R.; Peyrusse, O.; Poirier, M.; Ralchenko, Yu.; Sasaki, A.; Stambulchik, E.; Thais, F.

    2013-01-01

    Roč. 9, č. 3 (2013), 523-527 ISSN 1574-1818 R&D Projects: GA MŠk ED1.1.00/02.0061; GA MŠk EE.2.3.20.0087 Grant - others:ELI Beamlines(XE) CZ.1.05/1.1.00/02.0061; OP VK 2 LaserGen(XE) CZ.1.07/2.3.00/20.0087 Institutional support: RVO:68378271 Keywords : X-ray spectroscopy * atomic kinetics * plasma diagnostics Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 1.519, year: 2013

  7. Solar-simulator-pumped atomic iodine laser kinetics

    Science.gov (United States)

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

    1983-01-01

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

  8. Non-LTE analysis of the Ofpe/WN9 star HDE 269227 (R84)

    Science.gov (United States)

    Schmutz, Werner; Leitherer, Claus; Hubeny, Ivan; Vogel, Manfred; Hamann, Wolf-Rainer

    1991-01-01

    The paper presents the results of a spectral analysis of the Ofpe/WN9 star HD 269227 (R84), which assumes a spherically expanding atmosphere to find solutions for equations of radiative transfer. The spectra of hydrogen and helium were predicted with a non-LTE model. Six stellar parameters were determined for R84. The shape of the velocity law is empirically found, since it can be probed from the terminal velocity of the wind. The six stellar parameters are further employed in a hydrodynamic model where stellar wind is assumed to be directed by radiation pressure, duplicating the mass-loss rate and the terminal wind velocity. The velocity laws found by computation and analysis are found to agree, supporting the theory of radiation-driven stellar wind. R84 is surmised to be a post-red supergiant which lost half of its initial mass, possibly during the red-supergiant phase. This mass loss is also suggested by its spectroscopic similarity to S Doradus.

  9. Non-LTE population probabilities of the excited ionic levels in a steady state plasma

    International Nuclear Information System (INIS)

    Salzmann, D.

    1982-01-01

    A Complete-Staedy-State (CSS) model for the charge state distribution and the ionic levels population probabilities of ions in hot non-LTE plasmas is described. The following properties of this model are described: (i) it is shown that CSS covers LTE and Corona Equilibrium (CE) in the high and low electron density regimes respectively, (ii) an explicit expression is found for the low electron density asymptotic behaviour of the population probabilities, (iii) it is shown that at intermediate density regions the CSS model predicts results similar to that of the Quasi-Steady-State model, (iv) new validity limits are derived for LTE and CE, (v) the population distribution of the excited levels is revised, (vi) an analytical expression is found for the high electron density asymptotic behaviour of the population distribution, (vii) the influence of the radiation reabsorption in a spherically symmetric CSS plasma is briefly described, and (viii) the effect of the inaccuracies in the rate-coefficients on the results of CSS calculations is evaluated. (author)

  10. The Origin of B-type Runaway Stars: Non-LTE Abundances as a Diagnostic

    Energy Technology Data Exchange (ETDEWEB)

    McEvoy, Catherine M.; Dufton, Philip L.; Smoker, Jonathan V.; Keenan, Francis P. [Astrophysics Research Centre, School of Mathematics and Physics, Queen’s University Belfast, Belfast BT7 1NN (United Kingdom); Lambert, David L. [The University of Texas at Austin, Department of Astronomy, RLM 16.316, Austin, TX 78712 (United States); Schneider, Fabian R. N. [Department of Physics, University of Oxford, Denys Wilkinson Building, Keble Road, Oxford OX1 3RH (United Kingdom); De Wit, Willem-Jan [European Southern Observatory, Alonso de Cordova 3107, Casilla 19001, Vitacura, Santiago 19 (Chile)

    2017-06-10

    There are two accepted mechanisms to explain the origin of runaway OB-type stars: the binary supernova (SN) scenario and the cluster ejection scenario. In the former, an SN explosion within a close binary ejects the secondary star, while in the latter close multibody interactions in a dense cluster cause one or more of the stars to be ejected from the region at high velocity. Both mechanisms have the potential to affect the surface composition of the runaway star. tlusty non-LTE model atmosphere calculations have been used to determine the atmospheric parameters and the C, N, Mg, and Si abundances for a sample of B-type runaways. These same analytical tools were used by Hunter et al. for their analysis of 50 B-type open-cluster Galactic stars (i.e., nonrunaways). Effective temperatures were deduced using the Si-ionization balance technique, surface gravities from Balmer line profiles, and microturbulent velocities derived using the Si spectrum. The runaways show no obvious abundance anomalies when compared with stars in the open clusters. The runaways do show a spread in composition that almost certainly reflects the Galactic abundance gradient and a range in the birthplaces of the runaways in the Galactic disk. Since the observed Galactic abundance gradients of C, N, Mg, and Si are of a similar magnitude, the abundance ratios (e.g., N/Mg) are as obtained essentially uniform across the sample.

  11. An approximate method to calculate ionization of LTE and non-LTE plasma

    International Nuclear Information System (INIS)

    Zhang Jun; Gu Peijun

    1987-01-01

    When matter, especially high Z element, is heated to high temperature, it will be ionized many times. The degree of ionization has a strong effect on many plasma properties. So an approximate method to calculate the mean ionization degree is needed for solving many practical problems. An analytical expression which is convenient for the approximate numerical calculation is given by fitting it to the scaling law and numerical results of the ionization potential of Thomas-Fermi statistical model. In LTE case, the ionization degree of Au calculated by using the approximate method is in agreement with that of the average ion model. By extending the approximate method to non-LTE case, the ionization degree of Au is similarly calculated according to Corona model and Collision-Radiatoin model(C-R). The results of Corona model agree with the published data quite well, while the results of C-R approach those of Corona model as the density is reduced and approach those of LTE as the density is increased. Finally, all approximately calculated results of ionization degree of Au and the comparision of them are given in figures and tables

  12. Heating, Hydrodynamics, and Radiation From a Laser Heated Non-LTE High-Z Target

    Science.gov (United States)

    Gray, William; Foord, M. E.; Schneider, M. B.; Barrios, M. A.; Brown, G. V.; Heeter, R. F.; Jarrott, L. C.; Liedahl, D. A.; Marley, E. V.; Mauche, C. W.; Widmann, K.

    2016-10-01

    We present 2D R-z simulations that model the hydrodynamics and x-ray output of a laser heated, tamped foil, using the rad-hydro code LASNEX. The foil consists of a thin (2400 A) cylindrical disk of iron/vanadium/gold that is embedded in a thicker Be tamper. The simulations utilize a non-LTE detailed configuration (DCA) model, which generates the emission spectra. Simulated pinhole images are compared with data, finding qualitative agreement with the time-history of the face-on emission profiles, and exhibiting an interesting reduction in emission size over a few ns time period. Furthermore, we find that the simulations recover similar burn through times in both the target and Be tamper as measured by a time-dependent filtered x-ray detector (DANTE). Additional results and characterization of the experimental plasma will be presented. This work performed under the auspices of U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  13. Advanced Kr Atomic Structure and Ionization Kinetics for Pinches on ZR

    Science.gov (United States)

    Dasgupta, Arati; Clark, Robert; Giuliani, John; Ouart, Nick; Davis, Jack; Jones, Brent; Ampleford, Dave; Hansen, Stephanie

    2011-10-01

    High fluence photon sources above 10 keV are a challenge for HED plasmas. This motivates Kr atomic modeling as its K-shell radiation starts at 13 keV. We have developed atomic structure and collisional-radiatve data for the full K-and L-shell and much of the M-shell using the the state-of-the-art Flexible Atomic Code. All relevant atomic collisional and radiative processes that affect ionization balance and are necessary to accurately model the pinch dynamics and the spectroscopic details of the emitted radiation are included in constructing the model. This non-LTE CRE model will be used to generate synthetic spectra for fixed densities and temperatures relevant for Kr gas-puff simulations in ZR. Work supported by DOE/NNSA. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  14. Non-LTE line-blanketed model atmospheres of hot stars. 1: Hybrid complete linearization/accelerated lambda iteration method

    Science.gov (United States)

    Hubeny, I.; Lanz, T.

    1995-01-01

    A new munerical method for computing non-Local Thermodynamic Equilibrium (non-LTE) model stellar atmospheres is presented. The method, called the hybird complete linearization/accelerated lambda iretation (CL/ALI) method, combines advantages of both its constituents. Its rate of convergence is virtually as high as for the standard CL method, while the computer time per iteration is almost as low as for the standard ALI method. The method is formulated as the standard complete lineariation, the only difference being that the radiation intensity at selected frequency points is not explicity linearized; instead, it is treated by means of the ALI approach. The scheme offers a wide spectrum of options, ranging from the full CL to the full ALI method. We deonstrate that the method works optimally if the majority of frequency points are treated in the ALI mode, while the radiation intensity at a few (typically two to 30) frequency points is explicity linearized. We show how this method can be applied to calculate metal line-blanketed non-LTE model atmospheres, by using the idea of 'superlevels' and 'superlines' introduced originally by Anderson (1989). We calculate several illustrative models taking into accont several tens of thosands of lines of Fe III to Fe IV and show that the hybrid CL/ALI method provides a robust method for calculating non-LTE line-blanketed model atmospheres for a wide range of stellar parameters. The results for individual stellar types will be presented in subsequent papers in this series.

  15. Kinetics of elementary atom and radical reactions: Progress report

    International Nuclear Information System (INIS)

    Gordon, R.J.

    1986-01-01

    Our research program is concerned with the kinetics of elementary gas phase reactions and energy transfer involving polyatomic molecules. We report here on three ongoing projects: The reaction of oxygen atoms with hydrogen molecules, the electronic relaxation of NH radicals, and the vibrational relaxation of highly excited SF 6 molecules. 10 refs., 5 figs

  16. CO2 non-LTE limb emissions in Mars' atmosphere as observed by OMEGA/Mars Express

    Science.gov (United States)

    Piccialli, A.; López-Valverde, M. A.; Määttänen, A.; González-Galindo, F.; Audouard, J.; Altieri, F.; Forget, F.; Drossart, P.; Gondet, B.; Bibring, J. P.

    2016-06-01

    We report on daytime limb observations of Mars upper atmosphere acquired by the OMEGA instrument on board the European spacecraft Mars Express. The strong emission observed at 4.3 μm is interpreted as due to CO2 fluorescence of solar radiation and is detected at a tangent altitude in between 60 and 110 km. The main value of OMEGA observations is that they provide simultaneously spectral information and good spatial sampling of the CO2 emission. In this study we analyzed 98 dayside limb observations spanning over more than 3 Martian years, with a very good latitudinal and longitudinal coverage. Thanks to the precise altitude sounding capabilities of OMEGA, we extracted vertical profiles of the non-local thermodynamic equilibrium (non-LTE) emission at each wavelength and we studied their dependence on several geophysical parameters, such as the solar illumination and the tangent altitude. The dependence of the non-LTE emission on solar zenith angle and altitude follows a similar behavior to that predicted by the non-LTE model. According to our non-LTE model, the tangent altitude of the peak of the CO2 emission varies with the thermal structure, but the pressure level where the peak of the emission is found remains constant at ˜0.03 ± 0.01 Pa, . This non-LTE model prediction has been corroborated by comparing SPICAM and OMEGA observations. We have shown that the seasonal variations of the altitude of constant pressure levels in SPICAM stellar occultation retrievals correlate well with the variations of the OMEGA peak emission altitudes, although the exact pressure level cannot be defined with the spectroscopy for the investigation of the characteristics of the atmosphere of Venus (SPICAM) nighttime data. Thus, observed changes in the altitude of the peak emission provide us information on the altitude of the 0.03 Pa pressure level. Since the pressure at a given altitude is dictated by the thermal structure below, the tangent altitude of the peak emission represents

  17. Size-density relations in dark clouds: Non-LTE effects

    International Nuclear Information System (INIS)

    Maloney, P.

    1986-01-01

    One of the major goals of molecular astronomy has been to understand the physics and dynamics of dense interstellar clouds. Because the interpretation of observations of giant molecular clouds is complicated by their very complex structure and the dynamical effects of star formation, a number of studies have concentrated on dark clouds. Leung, Kutner and Mead (1982) (hereafter LKM) and Myers (1983), in studies of CO and NH 3 emission, concluded that dark clouds exhibit significant correlations between linewidth and cloud radius of the form delta v varies as R(0.5) and between mean density and radius of the form n varies as R(-1), as originally suggested by Larson (1981). This result suggests that these objects are in virial equilibrium. However, the mean densities inferred from the CO data of LKM are based on an local thermodynamic equilibrium (LTE) analysis of their 13CO data. At the very low mean densities inferred by LKM for the larger clouds in their samples, the assumption of LTE becomes very questionable. As most of the range in R in the density-size correlation comes from the clouds observed in CO, it seems worthwhile to examine how non-LTE effects will influence the derived densities. Microturbulent models of inhomogeneous clouds of varying central concentration with the linewidth-size and mean density-size relations found by Myers show sub-thermal excitation of the 13CO line in the larger clouds, with the result that LTE analysis considerbly underestimates the actual column density. A more general approach which doesn't require detailed modeling of the clouds is to consider whether the observed T/sub R/*(13CO)/T/sub R/*(12CO) ratios in the clouds studied by LKM are in the range where the LTE-derived optical depths be seriously in error due to sub-thermal excitation of the 13CO molecule

  18. Kinetics of chemical reactions initiated by hot atoms

    International Nuclear Information System (INIS)

    Firsova, L.P.

    1977-01-01

    Modern ideas about kinetics of chemical reactions of hot atoms are generalized. The main points of the phenomenological theories (''kinetic theory'' of Wolfgang-Estrup hot reactions and the theory of ''reactions integral probability'' of Porter) are given. Physico-chemical models of elastic and non-elastic collisions are considered which are used in solving Boltzmann integro-differential equations and stochastic equations in the Porter theory. The principal formulas are given describing probabilities or yields of chemical reactions, initiated with hot atoms, depending on the distribution functions of hot particles with respect to energy. Briefly described are the techniques and the results of applying the phenomenological theories for interpretation of the experimental data obtained during nuclear reactions with hot atoms, photochemical investigations, etc. 96 references are given

  19. Atom-Pair Kinetics with Strong Electric-Dipole Interactions.

    Science.gov (United States)

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

    2016-05-27

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

  20. Size-density relations in dark clouds: Non-LTE effects

    Science.gov (United States)

    Maloney, P.

    1986-01-01

    One of the major goals of molecular astronomy has been to understand the physics and dynamics of dense interstellar clouds. Because the interpretation of observations of giant molecular clouds is complicated by their very complex structure and the dynamical effects of star formation, a number of studies have concentrated on dark clouds. Leung, Kutner and Mead (1982) (hereafter LKM) and Myers (1983), in studies of CO and NH3 emission, concluded that dark clouds exhibit significant correlations between linewidth and cloud radius of the form delta v varies as R(0.5) and between mean density and radius of the form n varies as R(-1), as originally suggested by Larson (1981). This result suggests that these objects are in virial equilibrium. However, the mean densities inferred from the CO data of LKM are based on an local thermodynamic equilibrium (LTE) analysis of their 13CO data. At the very low mean densities inferred by LKM for the larger clouds in their samples, the assumption of LTE becomes very questionable. As most of the range in R in the density-size correlation comes from the clouds observed in CO, it seems worthwhile to examine how non-LTE effects will influence the derived densities. One way to assess the validity of LTE-derived densities is to construct cloud models and then to interpret them in the same way as the observed data. Microturbulent models of inhomogeneous clouds of varying central concentration with the linewidth-size and mean density-size relations found by Myers show sub-thermal excitation of the 13CO line in the larger clouds, with the result that LTE analysis considerbly underestimates the actual column density. A more general approach which doesn't require detailed modeling of the clouds is to consider whether the observed T sub R*(13CO)/T sub R*(12CO) ratios in the clouds studied by LKM are in the range where the LTE-derived optical depths (and hence column densities) can be seriously in error due to sub-thermal excitation of the 13CO

  1. Development of a Buried Layer Platform at the OMEGA Laser to Study Open L-Shell Spectra from Coronal (non-LTE) Plasmas

    Science.gov (United States)

    Marley, Edward; Jarrot, Charlie; Schneider, Marilyn; Kemp, Elijah; Foord, Mark; Heeter, Robert; Liedahl, Duane; Widmann, Klause; Mauche, Christopher; Brown, Greg; Emig, James

    2017-10-01

    A buried layer platform is being developed at the OMEGA laser to study the open L-shell spectra of coronal (non LTE) plasmas (ne few 1021/cm3, Te 0.8-1.2 keV) of mid Z materials. Studies have been done using a 250 μm diameter dot composed of a layer of 1200 Å thick Zn between two 600 Å thick layers of Ti, in the center of a 1000 μm diameter, 13 μm thick beryllium tamper. Lasers heat the target from both sides for up to 3 ns. The size of the microdot vs time was measured with x-ray imaging (face-on and side-on). The radiant x-ray power was measured with a low-resolution absolutely calibrated x-ray spectrometer (DANTE). The temperature was measured from the Ti helium-beta complex. The use of this platform for the verification of atomic models is discussed. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  2. Non-LTE spectral analyses of the lately discovered DB-gap white dwarfs from the SDSS

    International Nuclear Information System (INIS)

    Huegelmeyer, S D; Dreizler, S

    2009-01-01

    For a long time, no hydrogen-deficient white dwarfs have been known that have effective temperature between 30 kK and eff < 45 kK (Eisenstein et al. 2006). It has been shown for DO white dwarfs that the relaxation of LTE is necessary to account for non local effects in the atmosphere caused by the intense radiation field. Therefore, we calculated a non-LTE model grid and re-analysed the aforementioned set of SDSS spectra. Our results confirm the existence of DB-gap white dwarfs.

  3. Influence of condensed species on thermo-physical properties of LTE and non-LTE SF6-Cu mixture

    Science.gov (United States)

    Chen, Zhexin; Wu, Yi; Yang, Fei; Sun, Hao; Rong, Mingzhe; Wang, Chunlin

    2017-10-01

    SF6-Cu mixture is frequently formed in high-voltage circuit breakers due to the electrode erosion and metal vapor diffusion. During the interruption process, the multiphase effect and deviation from local thermal equilibrium (non-LTE assumption) can both affect the thermo-physical of the arc plasma and further influence the performance of circuit breaker. In this paper, thermo-physical properties, namely composition, thermodynamic properties and transport coefficients are calculated for multiphase SF6-Cu mixture with and without LTE assumption. The composition is confirmed by combining classical two-temperature mass action law with phase equilibrium condition deduced from second law of thermodynamics. The thermodynamic properties and transport coefficients are calculated using the multiphase composition result. The influence of condensed species on thermo-physical properties is discussed at different temperature, pressure (0.1-10 atm), non-equilibrium degrees (1-10), and copper molar proportions (0-50%). It is found that the multiphase effect has significant influence on specific enthalpy, specific heat and heavy species thermal conductivity in both LTE and non-LTE SF6-Cu system. This paper provides a more accurate database for computational fluid dynamic calculation.

  4. A NON-LTE STUDY OF SILICON ABUNDANCES IN GIANT STARS FROM THE Si i INFRARED LINES IN THE zJ -BAND

    International Nuclear Information System (INIS)

    Tan, Kefeng; Shi, Jianrong; Zhao, Gang; Takada-Hidai, Masahide; Takeda, Yoichi

    2016-01-01

    We investigate the feasibility of Si i infrared (IR) lines as Si abundance indicators for giant stars. We find that Si abundances obtained from the Si i IR lines based on the local thermodynamic equilibrium (LTE) analysis show large line-to-line scatter (mean value of 0.13 dex), and are higher than those from the optical lines. However, when non-LTE effects are taken into account, the line-to-line scatter reduces significantly (mean value of 0.06 dex), and the Si abundances are consistent with those from the optical lines. The typical average non-LTE correction of [Si/Fe] for our sample stars is about −0.35 dex. Our results demonstrate that the Si i IR lines could be reliable abundance indicators, provided that the non-LTE effects are properly taken into account.

  5. Transient atomic behavior and surface kinetics of GaN

    International Nuclear Information System (INIS)

    Moseley, Michael; Billingsley, Daniel; Henderson, Walter; Trybus, Elaissa; Doolittle, W. Alan

    2009-01-01

    An in-depth model for the transient behavior of metal atoms adsorbed on the surface of GaN is developed. This model is developed by qualitatively analyzing transient reflection high energy electron diffraction (RHEED) signals, which were recorded for a variety of growth conditions of GaN grown by molecular-beam epitaxy (MBE) using metal-modulated epitaxy (MME). Details such as the initial desorption of a nitrogen adlayer and the formation of the Ga monolayer, bilayer, and droplets are monitored using RHEED and related to Ga flux and shutter cycles. The suggested model increases the understanding of the surface kinetics of GaN, provides an indirect method of monitoring the kinetic evolution of these surfaces, and introduces a novel method of in situ growth rate determination.

  6. Transient atomic behavior and surface kinetics of GaN

    Science.gov (United States)

    Moseley, Michael; Billingsley, Daniel; Henderson, Walter; Trybus, Elaissa; Doolittle, W. Alan

    2009-07-01

    An in-depth model for the transient behavior of metal atoms adsorbed on the surface of GaN is developed. This model is developed by qualitatively analyzing transient reflection high energy electron diffraction (RHEED) signals, which were recorded for a variety of growth conditions of GaN grown by molecular-beam epitaxy (MBE) using metal-modulated epitaxy (MME). Details such as the initial desorption of a nitrogen adlayer and the formation of the Ga monolayer, bilayer, and droplets are monitored using RHEED and related to Ga flux and shutter cycles. The suggested model increases the understanding of the surface kinetics of GaN, provides an indirect method of monitoring the kinetic evolution of these surfaces, and introduces a novel method of in situ growth rate determination.

  7. New Non-LTE Model of OH and CO2 Emission in the Mesosphere-Lower Thermosphere and its Application to Retrieving Nighttime Parameters

    Science.gov (United States)

    Panka, Peter A.

    The hydroxyl, OH, and carbon dioxide, CO2, molecules and oxygen atoms, O(3P), are important parameters that characterize the chemistry, energetics, and dynamics of the nighttime mesosphere and lower thermosphere (MLT) region. Hence, there is much interest in obtaining high quality observations of these parameters in order to study the short-term variability as well as the long-term trends in characteristics of the MLT region. The Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) instrument on board the Thermosphere, Ionosphere, Mesosphere, Energetics, and Dynamics (TIMED) satellite has been taking global, simultaneous measurements of limb infrared radiance in 10 spectral channels, including the OH 2.0 and 1.6-micron and CO2 4.3-micron emissions channels, continuously since late January 2002. These measurements can be interpreted using sophisticated non-Local Thermodynamic Equilibrium (non-LTE) models of OH and CO2 infrared emissions which can then be applied to obtain densities of these parameters (2.0 and 1.6-micron channel for O(3P)/OH and 4.3-micron channel for CO2). The latest non-LTE models of these molecules, however, do not fully represent all the dominant energy transfer mechanisms which influence their vibrational level distributions and infrared emissions. In particular, non-LTE models of CO2 4.3-micron emissions currently under-predict SABER measurements by up to 80%, and its application for the retrieval of CO2 will result in unrealistic densities. Additionally, current O(3P) retrievals from SABER OH emissions have been reported to be at least 30% higher compared to studies using other instruments. Methods to obtain OH total densities from SABER measurements have yet to be developed. Recent studies, however, have discovered a new energy transfer mechanism which influences both OH and CO2 infrared emissions, OH(v) → O(1D) → N2( v) → CO2(v3). This study focuses on the impact of this new mechanism on OH and CO2 infrared emissions

  8. A Novel Iterative Scheme for the Very Fast and Accurate Solution of Non-LTE Radiative Transfer Problems

    Science.gov (United States)

    Trujillo Bueno, J.; Fabiani Bendicho, P.

    1995-12-01

    Iterative schemes based on Gauss-Seidel (G-S) and optimal successive over-relaxation (SOR) iteration are shown to provide a dramatic increase in the speed with which non-LTE radiation transfer (RT) problems can be solved. The convergence rates of these new RT methods are identical to those of upper triangular nonlocal approximate operator splitting techniques, but the computing time per iteration and the memory requirements are similar to those of a local operator splitting method. In addition to these properties, both methods are particularly suitable for multidimensional geometry, since they neither require the actual construction of nonlocal approximate operators nor the application of any matrix inversion procedure. Compared with the currently used Jacobi technique, which is based on the optimal local approximate operator (see Olson, Auer, & Buchler 1986), the G-S method presented here is faster by a factor 2. It gives excellent smoothing of the high-frequency error components, which makes it the iterative scheme of choice for multigrid radiative transfer. This G-S method can also be suitably combined with standard acceleration techniques to achieve even higher performance. Although the convergence rate of the optimal SOR scheme developed here for solving non-LTE RT problems is much higher than G-S, the computing time per iteration is also minimal, i.e., virtually identical to that of a local operator splitting method. While the conventional optimal local operator scheme provides the converged solution after a total CPU time (measured in arbitrary units) approximately equal to the number n of points per decade of optical depth, the time needed by this new method based on the optimal SOR iterations is only √n/2√2. This method is competitive with those that result from combining the above-mentioned Jacobi and G-S schemes with the best acceleration techniques. Contrary to what happens with the local operator splitting strategy currently in use, these novel

  9. Atomic kinetics of a neon photoionized plasma experiment at Z

    Science.gov (United States)

    Mayes, Daniel C.; Mancini, Roberto; Bailey, James E.; Loisel, Guillaume; Rochau, Gregory; ZAPP Collaboration

    2018-06-01

    We discuss an experimental effort to study the atomic kinetics in astrophysically relevant photoionized plasmas via K-shell line absorption spectroscopy. The experiment employs the intense x-ray flux emitted at the collapse of a Z-pinch to heat and backlight a photoionized plasma contained within a cm-scale gas cell placed at a variable distance from the Z-pinch and filled with neon gas pressures in the range from 3.5 to 30 Torr. The experimental platform affords an order of magnitude range in the ionization parameter characterizing the photoionized plasma at the peak of the x-ray drive from about 5 to 80 erg*cm/s. Thus, the experiment allows for the study of trends in ionization distribution as a function of the ionization parameter. An x-ray crystal spectrometer capable of time-integrated and/or time-gated configurations is used to collect absorption spectra. The spectra show line absorption by several ionization stages of neon, including Be-, Li-, He-, and H-like ions. Analysis of these spectra yields ion areal densities and charge state distributions, which can be compared with simulation results from atomic kinetics codes. In addition, the electron temperature is extracted from level population ratios of nearby energy levels in Li- and Be-like ions, which can be used to test heating models of photoionized plasmas.

  10. Assessing the existence of non-LTE behavior in aluminum K-shell diagnostic lines from dynamic hohlraum driven experiments

    International Nuclear Information System (INIS)

    Sherrill, M E

    2015-01-01

    We describe in this work a study designed to obtain insight into the sensitivity of foil targets driven out of local thermodynamic equilibrium (LTE) by an idealized dynamic hohlraum during its brightest phase. This work is motivated by a perceived over-prediction of the plasma temperature by current LTE spectral modeling of opacity experiments performed by Bailey et al at the Sandia Z facility. Although several aspects of this modeling study parallel the SNL/LANL opacity experiments, this work is primarily intended to gain insight into radiatively over-driven systems. The results from this idealized study suggest that a non-LTE population distribution with qualities similar to an LTE distribution at higher material temperatures are possible, and therefore support a further theoretical investigation with experimental parameters. (special issue paper)

  11. Towards detecting methanol emission in low-mass protoplanetary discs with ALMA: the role of non-LTE excitation

    Science.gov (United States)

    Parfenov, S. Yu.; Semenov, D. A.; Sobolev, A. M.; Gray, M. D.

    2016-08-01

    The understanding of organic content of protoplanetary discs is one of the main goals of the planet formation studies. As an attempt to guide the observational searches for weak lines of complex species in discs, we modelled the (sub)millimetre spectrum of gaseous methanol (CH3OH), one of the simplest organic molecules, in the representative T Tauri system. We used 1+1D disc physical model coupled to the gas-grain ALCHEMIC chemical model with and without 2D-turbulent mixing. The computed CH3OH abundances along with the CH3OH scheme of energy levels of ground and excited torsional states were used to produce model spectra obtained with the non-local thermodynamic equilibrium (non-LTE) 3D line radiative transfer code LIME. We found that the modelled non-LTE intensities of the CH3OH lines can be lower by factor of >10-100 than those calculated under assumption of LTE. Though population inversion occurs in the model calculations for many (sub)millimetre transitions, it does not lead to the strong maser amplification and noticeably high line intensities. We identify the strongest CH3OH (sub)millimetre lines that could be searched for with the Atacama Large Millimeter Array (ALMA) in nearby discs. The two best candidates are the CH3OH 50 - 40A+ (241.791 GHz) and 5-1 - 4-1E (241.767 GHz) lines, which could possibly be detected with the ˜5σ signal-to-noise ratio after ˜3 h of integration with the full ALMA array.

  12. Kinetic Simulation and Energetic Neutral Atom Imaging of the Magnetosphere

    Science.gov (United States)

    Fok, Mei-Ching H.

    2011-01-01

    Advanced simulation tools and measurement techniques have been developed to study the dynamic magnetosphere and its response to drivers in the solar wind. The Comprehensive Ring Current Model (CRCM) is a kinetic code that solves the 3D distribution in space, energy and pitch-angle information of energetic ions and electrons. Energetic Neutral Atom (ENA) imagers have been carried in past and current satellite missions. Global morphology of energetic ions were revealed by the observed ENA images. We have combined simulation and ENA analysis techniques to study the development of ring current ions during magnetic storms and substorms. We identify the timing and location of particle injection and loss. We examine the evolution of ion energy and pitch-angle distribution during different phases of a storm. In this talk we will discuss the findings from our ring current studies and how our simulation and ENA analysis tools can be applied to the upcoming TRIO-CINAMA mission.

  13. A calculation of internal kinetic energy and polarizability of compressed argon from the statistical atom model

    NARCIS (Netherlands)

    Seldam, C.A. ten; Groot, S.R. de

    1952-01-01

    From Jensen's and Gombás' modification of the statistical Thomas-Fermi atom model, a theory for compressed atoms is developed by changing the boundary conditions. Internal kinetic energy and polarizability of argon are calculated as functions of pressure. At 1000 atm. an internal kinetic energy of

  14. Diagnostics of red-shifted H-alpha line emission from a C-class flare with full non-LTE radiative and hydrodynamic approach

    Science.gov (United States)

    Druett, M. K.; Zharkova, V. V.; Scullion, E.; Zharkov, S.; Matthews, S. A.

    2016-12-01

    We analyse H-alpha line profiles with strong redshifts during the C1.8 flare on 1st July 2012 obtained from the Swedish Solar Telescope (SST) closely resembling the previous observations (Wuelser and Marti, 1989). The flare has a magnetic field configuration with two levels of loop structures. The kernels with red shifts are observed in one of the H-alpha ribbons in the south-west location formed after the main impulse recorded in the north-east. The locations of H-alpha kernels with red shifts reveal close temporal and spatial correlation with weaker HXR signatures and coincide with the locations of coronal jets observed with AIA/SDO. For interpretation we apply a revised 1D hydrodynamic and non-LTE (NLTE) radiative model for 5 level plus continuum model hydrogen atom (Druett & Zharkova, 2016) considering radiative, thermal and non-thermal excitation and ionisation by beam electrons with the updated beam densities (Zharkova & Dobranskis, 2016) and analytical excitation/ionisation rates (Zharkova& Kobylinskijj, 1993). We find the simultaneous solutions of steady state and radiative transfer equations in all optically-thick lines and continua. The electron and ion temperatures, ambient density and macrovelocity of the ambient plasma are derived from a 1D hydrodynamic model with initial condition of the pre-flaring photosphere for the two fluid ambient plasma heated by beam electrons (Zharkova & Zharkov, 2007). We simulate distributions over precipitation depth of ionisation and departure coefficients for all the hydrogen atom transitions including the deviation of ionisation from Saha equation affected by non-thermal electron beams. We show that in the very first seconds after the beam onset Balmer line profiles are sensitive to the effect of beam electrons. The combination of the additional ionisation caused by beam electrons leading to a very strong Stark effect in Balmer lines with the hydrodynamic heating and formation of a low temperature shock in the

  15. Kinetic model of the bichromatic dark trap for atoms

    Science.gov (United States)

    Krasnov, I. V.

    2017-08-01

    A kinetic model of atom confinement in a bichromatic dark trap (BDT) is developed with the goal of describing its dissipative properties. The operating principle of the deep BDT is based on using the combination of multiple bichromatic cosine-Gaussian optical beams (CGBs) for creating high-potential barriers, which is described in our previous work (Krasnov 2016 Laser Phys. 26 105501). In the indicated work, particle motion in the BDT is described in terms of classical trajectories. In the present study, particle motion is analyzed by means of the Wigner function (phase-space distribution function (DF)), which allows one to properly take into account the quantum fluctuations of optical forces. Besides, we consider an improved scheme of the BDT, where CGBs create, apart from plane potential barriers, a narrow cooling layer. We find an asymptotic solution of the Fokker-Planck equation for the DF and show that the DF of particles deeply trapped in a BDT with a cooling layer is the Tsallis distribution with the effective temperature, which can be considerably lower than in a BDT without a cooling layer. Moreover, it can be adjusted by slightly changing the CGBs’ radii. We also study the effect of particle escape from the trap due to the scattering of resonant photons and show that the particle lifetime in a BDT can exceed several tens of hours when it is limited by photon scattering.

  16. Recent results from the chemistry of recoiling carbon and silicon atoms: The interplay between hot atom chemistry and gas kinetics

    International Nuclear Information System (INIS)

    Gaspar, P.P.; Garmestani, K.; Ferrieri, R.A.; Wolf, A.P.

    1990-01-01

    Recent results from the chemistry of recoiling carbon and silicon atoms illustrate the power of an experimental approach to the solution of complex mechanistic problems that combines the study of the reactions of recoiling atoms with conventional gas kinetic techniques. Included will be the reactions of 11 C atoms with anisole, addressing the question whether an aromatic pi-electron system can compete as a reactive site with carbon-hydrogen bonds

  17. Non-LTE, line-blanketed model atmospheres for late O- and early B-type stars

    Science.gov (United States)

    Grigsby, James A.; Morrison, Nancy D.; Anderson, Lawrence S.

    1992-01-01

    The use of non-LTE line-blanketed model atmospheres to analyze the spectra of hot stars is reported. The stars analyzed are members of clusters and associations, have spectral types in the range O9-B2 and luminosity classes in the range III-IV, have slow to moderate rotation, and are photometrically constant. Sampled line opacities of iron-group elements were incorporated in the radiative transfer solution; solar abundances were assumed. Good to excellent agreement is obtained between the computed profiles and essentially all the line profiles used to fix the model, and reliable stellar parameters are derived. The synthetic M II 5581 equivalent widths agree well with the observed ones at the low end of the temperature range studied, but, above 25,000 K, the synthetic line is generally stronger than the observed line. The behavior of the observed equivalent widths of N II, N III, C II and C III lines as a function of Teff is studied. Most of the lines show much scatter, with no consistent trend that could indicate abundance differences from star to star.

  18. Self-consistent Non-LTE Model of Infrared Molecular Emissions and Oxygen Dayglows in the Mesosphere and Lower Thermosphere

    Science.gov (United States)

    Feofilov, Artem G.; Yankovsky, Valentine A.; Pesnell, William D.; Kutepov, Alexander A.; Goldberg, Richard A.; Mauilova, Rada O.

    2007-01-01

    We present the new version of the ALI-ARMS (for Accelerated Lambda Iterations for Atmospheric Radiation and Molecular Spectra) model. The model allows simultaneous self-consistent calculating the non-LTE populations of the electronic-vibrational levels of the O3 and O2 photolysis products and vibrational level populations of CO2, N2,O2, O3, H2O, CO and other molecules with detailed accounting for the variety of the electronic-vibrational, vibrational-vibrational and vibrational-translational energy exchange processes. The model was used as the reference one for modeling the O2 dayglows and infrared molecular emissions for self-consistent diagnostics of the multi-channel space observations of MLT in the SABER experiment It also allows reevaluating the thermalization efficiency of the absorbed solar ultraviolet energy and infrared radiative cooling/heating of MLT by detailed accounting of the electronic-vibrational relaxation of excited photolysis products via the complex chain of collisional energy conversion processes down to the vibrational energy of optically active trace gas molecules.

  19. EMERGENCE OF GRANULAR-SIZED MAGNETIC BUBBLES THROUGH THE SOLAR ATMOSPHERE. II. NON-LTE CHROMOSPHERIC DIAGNOSTICS AND INVERSIONS

    Energy Technology Data Exchange (ETDEWEB)

    Rodríguez, Jaime de la Cruz [Institute for Solar Physics, Department of Astronomy, Stockholm University, Albanova University Center, SE-10691 Stockholm (Sweden); Hansteen, Viggo; Ortiz, Ada [Institute of Theoretical Astrophysics, University of Oslo, P.O. Box 1029 Blindern, NO-0315 Oslo (Norway); Bellot-Rubio, Luis, E-mail: jaime@astro.su.se [Instituto de Astrofísica de Andalucía (CSIC), Apartado de Correos 3004, E-18080 Granada (Spain)

    2015-09-10

    Magnetic flux emergence into the outer layers of the Sun is a fundamental mechanism for releasing energy into the chromosphere and the corona. In this paper, we study the emergence of granular-sized flux concentrations and the structuring of the corresponding physical parameters and atmospheric diagnostics in the upper photosphere and in the chromosphere. We make use of a realistic 3D MHD simulation of the outer layers of the Sun to study the formation of the Ca ii 8542 line. We also derive semi-empirical 3D models from non-LTE inversions of our observations. These models contain information on the line-of-sight stratifications of temperature, velocity, and the magnetic field. Our analysis explains the peculiar Ca ii 8542 Å profiles observed in the flux emerging region. Additionally, we derive detailed temperature and velocity maps describing the ascent of a magnetic bubble from the photosphere to the chromosphere. The inversions suggest that, in active regions, granular-sized bubbles emerge up to the lower chromosphere where the existing large-scale field hinders their ascent. We report hints of heating when the field reaches the chromosphere.

  20. Application of approximations for joint cumulative k-distributions for mixtures to FSK radiation heat transfer in multi-component high temperature non-LTE plasmas

    International Nuclear Information System (INIS)

    Maurente, André; França, Francis H.R.; Miki, Kenji; Howell, John R.

    2012-01-01

    Approximations for joint cumulative k-distribution for mixtures are efficient for full spectrum k-distribution (FSK) computations. These approximations provide reduction of the database that is necessary to perform FSK computation when compared to the direct approach, which uses cumulative k-distributions computed from the spectrum of the mixture, and also less computational expensive when compared to techniques in which RTE's are required to be solved for each component of the mixture. The aim of the present paper is to extend the approximations for joint cumulative k-distributions for non-LTE media. For doing that, a FSK to non-LTE media formulation well-suited to be applied along with approximations for joint cumulative k-distributions is presented. The application of the proposed methodology is demonstrated by solving the radiation heat transfer in non-LTE high temperature plasmas composed of N, O, N 2 , NO, N 2 + and mixtures of these species. The two more efficient approximations, that is, the superposition and multiplication are employed and analyzed.

  1. Experiments on the Scaling of Ionization Balance vs. Electron and Radiation Temperature in Non-LTE Gold Plasmas

    International Nuclear Information System (INIS)

    Heeter, R.F.; Hansen, S.B.; Beiersdorfer, P.; Foord, M.E.; Fournier, K.B.; Froula, D.H.; Mackinnon, A.J.; May, M.J.; Schneider, M.B.; Young, B.K.F.

    2004-01-01

    Understanding and predicting the behavior of high-Z non-LTE plasmas is important for developing indirect-drive inertial confinement fusion. Extending earlier work from the Nova laser, we present results from experiments using the Omega laser to study the ionization balance of gold as a function of electron and radiation temperature. In these experiments, gold samples embedded in Be disks expand under direct laser heating to ne ≅ 1021cm-3, with Te varying from 0.8 to 2.5 keV. An additional finite radiation field with effective temperature Tr up to 150 eV is provided by placing the gold Be disks inside truncated 1.2 mm diameter tungsten-coated cylindrical hohlraums with full laser entrance holes. Densities are measured by imaging of plasma expansion. Electron temperatures are diagnosed with either 2ω or 4ω Thomson scattering, and also K-shell spectroscopy of KCl tracers co-mixed with the gold. Hohlraum flux and effective radiation temperature are measured using an absolutely-calibrated multichannel filtered diode array. Spectroscopic measurements of the M-shell gold emission in the 2.9-4 keV spectral range provide ionization balance and charge state distribution information. The spectra show strong variation with Te, strong variation with the applied Tr, at Te below 1.6 keV, and relatively little variation with Tr at higher Te (upwards of 2 keV). We summarize our most recent spectral analyses and discuss emerging and outstanding issues

  2. Non-LTE Stellar Population Synthesis of Globular Clusters Using Synthetic Integrated Light Spectra. I. Constructing the IL Spectra

    Science.gov (United States)

    Young, Mitchell. E.; Short, C. Ian

    2017-02-01

    We present an investigation of the globular cluster population synthesis method of McWilliam & Bernstein, focusing on the impact of non-LTE (NLTE) modeling effects and color-magnitude diagram (CMD) discretization. Johnson-Cousins-Bessel U - B, B-V, V-I, and J-K colors are produced for 96 synthetic integrated light (IL) spectra with two different discretization prescriptions and three degrees of NLTE treatment. These color values are used to compare NLTE- and LTE-derived population ages. Relative contributions of different spectral types to the IL spectra for different wavebands are measured. IL NLTE spectra are shown to be more luminous in the UV and optical than LTE spectra, but show stronger absorption features in the IR. The main features showing discrepancies between NLTE and LTE IL spectra may be attributed to light metals, primarily Fe I, Ca I, and Ti I, as well as TiO molecular bands. Main-sequence stars are shown to have negligible NLTE effects at IR wavelengths compared to more evolved stars. Photometric color values are shown to vary at the millimagnitude level as a function of CMD discretization. Finer CMD sampling for the upper main sequence and turnoff, base of the red giant branch, and the horizontal branch minimizes this variation. Differences in ages derived from LTE and NLTE IL spectra are found to range from 0.55 to 2.54 Gyr, comparable to the uncertainty in GC ages derived from color indices with observational uncertainties of 0.01 mag, the limiting precision of the Harris catalog.

  3. NLTE4 Plasma Population Kinetics Database

    Science.gov (United States)

    SRD 159 NLTE4 Plasma Population Kinetics Database (Web database for purchase)   This database contains benchmark results for simulation of plasma population kinetics and emission spectra. The data were contributed by the participants of the 4th Non-LTE Code Comparison Workshop who have unrestricted access to the database. The only limitation for other users is in hidden labeling of the output results. Guest users can proceed to the database entry page without entering userid and password.

  4. Kinetics of heterogeneous nucleation of gas-atomized Sn-5 mass%Pb droplets

    International Nuclear Information System (INIS)

    Li Shu; Wu Ping; Zhou Wei; Ando, Teiichi

    2008-01-01

    A method for predicting the nucleation kinetics of gas-atomized droplets has been developed by combining models predicting the nucleation temperature of cooling droplets with a model simulating the droplet motion and cooling in gas atomization. Application to a Sn-5 mass%Pb alloy has yielded continuous-cooling transformation (CCT) diagrams for the heterogeneous droplet nucleation in helium gas atomization. Both internal nucleation caused by a catalyst present in the melt and surface nucleation caused by oxidation are considered. Droplets atomized at a high atomizing gas velocity get around surface oxidation and nucleate internally at high supercoolings. Low atomization gas velocities promote oxidation-catalyzed nucleation which leads to lower supercoolings. The developed method enables improved screening of atomized powders for critical applications where stringent control of powder microstructure is required

  5. 18F in hot atom chemistry and equilibrium chemical kinetics

    International Nuclear Information System (INIS)

    Root, J.W.; Tomiyoshi, Katsumi; Knickelbein, M.B.

    1993-01-01

    Superexcited molecules are unusual species that at present can only be investigated using nuclear recoil methods. The thermochemical technique for measuring the excitation energy distributions of superexcited molecules is reviewed and applied to recent studies of CF 3 18 F and C 2 F 5 18 F formed from high energy atomic exchange reactions in CF 4 and C 2 F 6 . The nascent CF 3 18 F and C 2 F 5 18 F range in energy from 1.7 to about 45 eV. The average energies of these products range from 15 to 20 eV. The internal excitation that accompanies these reactions is initially localized near the 18 F bonding site, and the C 2 F 5 18 F decomposition mechanism is non-statistical. Moderated nuclear recoil experiments yield mechanisms and rates for the reactions of thermal 18 F atoms. Under our standard experimental conditions from 3.4 x 10 4 to 3.4 x 10 8 labeled product molecules are available for radioassay. This procedure is free from systematic error and the measurements yield exceptional precision and sensitivity because (1) high energy reactions with the thermally active reagents are suppressed. (2) the host environment is rigorously controlled, and (3) the molecular products from many single atom reactions are directly counted. The limitations of this technique are described and results are presented for the reactions of thermal 18 F atoms with CH 4 and C 2 H 4 . (J.P.N.)

  6. Accelerated procedure to solve kinetic equation for neutral atoms in a hot plasma

    Science.gov (United States)

    Tokar, Mikhail Z.

    2017-12-01

    The recombination of plasma charged components, electrons and ions of hydrogen isotopes, on the wall of a fusion reactor is a source of neutral molecules and atoms, recycling back into the plasma volume. Here neutral species participate, in particular, in charge-exchange (c-x) collisions with the plasma ions and, as a result, atoms of high energies with chaotically directed velocities are generated. Some fraction of these hot atoms hit the wall. Statistical Monte Carlo methods normally used to model c-x atoms are too time consuming for reasonably small level of accident errors and extensive parameter studies are problematic. By applying pass method to evaluate integrals from functions, including the ion velocity distribution, an iteration approach to solve one-dimensional kinetic equation [1], being alternative to Monte Carlo procedure, has been tremendously accelerated, at least by a factor of 30-50 [2]. Here this approach is developed further to solve the 2-D kinetic equation, applied to model the transport of c-x atoms in the vicinity of an opening in the wall, e.g., the entrance of the duct guiding to a diagnostic installation. This is necessary to determine firmly the energy spectrum of c-x atoms penetrating into the duct and to assess the erosion of the installation there. The results of kinetic modeling are compared with those obtained with the diffusion description for c-x atoms, being strictly relevant under plasma conditions of low temperature and high density, where the mean free path length between c-x collisions is much smaller than that till the atom ionization by electrons. It is demonstrated that the previous calculations [3], done with the diffusion approximation for c-x atoms, overestimate the erosion rate of Mo mirrors in a reactor by a factor of 3 compared to the result of the present kinetic study.

  7. Influence of condensed species on thermo-physical properties of LTE and non-LTE SF6–Cu mixture

    International Nuclear Information System (INIS)

    Chen, Zhexin; Wu, Yi; Yang, Fei; Sun, Hao; Rong, Mingzhe; Wang, Chunlin

    2017-01-01

    SF 6 –Cu mixture is frequently formed in high-voltage circuit breakers due to the electrode erosion and metal vapor diffusion. During the interruption process, the multiphase effect and deviation from local thermal equilibrium (non-LTE assumption) can both affect the thermo-physical of the arc plasma and further influence the performance of circuit breaker. In this paper, thermo-physical properties, namely composition, thermodynamic properties and transport coefficients are calculated for multiphase SF 6 –Cu mixture with and without LTE assumption. The composition is confirmed by combining classical two-temperature mass action law with phase equilibrium condition deduced from second law of thermodynamics. The thermodynamic properties and transport coefficients are calculated using the multiphase composition result. The influence of condensed species on thermo-physical properties is discussed at different temperature, pressure (0.1–10 atm), non-equilibrium degrees (1–10), and copper molar proportions (0–50%). It is found that the multiphase effect has significant influence on specific enthalpy, specific heat and heavy species thermal conductivity in both LTE and non-LTE SF 6 –Cu system. This paper provides a more accurate database for computational fluid dynamic calculation. (paper)

  8. Local energy equation for two-electron atoms and relation between kinetic energy and electron densities

    International Nuclear Information System (INIS)

    March, N.H.

    2002-08-01

    In early work, Dawson and March [J. Chem. Phys. 81, 5850 (1984)] proposed a local energy method for treating both Hartree-Fock and correlated electron theory. Here, an exactly solvable model two-electron atom with pure harmonic interactions is treated in its ground state in the above context. A functional relation between the kinetic energy density t(r) at the origin r=0 and the electron density p(r) at the same point then emerges. The same approach is applied to the Hookean atom; in which the two electrons repel with Coulombic energy e 2 /r 12 , with r 12 the interelectronic separation, but are still harmonically confined. Again the kinetic energy density t(r) is the focal point, but now generalization away from r=0 is also effected. Finally, brief comments are added about He-like atomic ions in the limit of large atomic number. (author)

  9. Kinetic theory of beam-induced plasmas generalised to sophisticated atomic structures

    International Nuclear Information System (INIS)

    Peyraud-Cuenca, Nelly

    1987-01-01

    We present an analytic kinetic model available for all particle-beam-induced atomic plasmas, without any restriction on the distribution of electronic levels. The method is an iteration of the already known solution available only for the distribution of atomic levels as in the rare gases. We recall a universal atomic kinetic model which, independently of its applications to the study of efficient laser systems, might be a first step in the analytic investigation of molecular problems. Then, the iteration is systematically applied to all possible atomic structures whose number is increased by the non-local character of inelastic processes. We deduce a general analytic representation of the 'tail' of the electron distribution function as a ratio between non-local source terms and a combination of inelastic cross sections, from which we exhibit a physical interpretation and essential scaling laws. The theory is applied to sodium which is an important element in the research of efficient laser systems. (author)

  10. Reaction kinetics of hydrogen atom abstraction from isopentanol by the H atom and HO2˙ radical.

    Science.gov (United States)

    Parab, Prajakta Rajaram; Heufer, K Alexander; Fernandes, Ravi Xavier

    2018-04-25

    Isopentanol is a potential next-generation biofuel for future applications to Homogeneous Charge Compression Ignition (HCCI) engine concepts. To provide insights into the combustion behavior of isopentanol, especially to its auto-ignition behavior which is linked both to efficiency and pollutant formation in real combustion systems, detailed quantum chemical studies for crucial reactions are desired. H-Abstraction reaction rates from fuel molecules are key initiation steps for chain branching required for auto-ignition. In this study, rate constants are determined for the hydrogen atom abstraction reactions from isopentanol by the H atom and HO2˙ radical by implementing the CBS-QB3 composite method. For the treatment of the internal rotors, a Pitzer-Gwinn-like approximation is applied. On comparing the computed reaction energies, the highest exothermicity (ΔE = -46 kJ mol-1) is depicted for Hα abstraction by the H atom whereas the lowest endothermicity (ΔE = 29 kJ mol-1) is shown for the abstraction of Hα by the HO2˙ radical. The formation of hydrogen bonding is found to affect the kinetics of the H atom abstraction reactions by the HO2˙ radical. Further above 750 K, the calculated high pressure limit rate constants indicate that the total contribution from delta carbon sites (Cδ) is predominant for hydrogen atom abstraction by the H atom and HO2˙ radical.

  11. The kinetics of formation and transformation of silver atoms on solid surfaces subjected to ionizing irradiation

    International Nuclear Information System (INIS)

    Popovich, G.M.

    1988-01-01

    The paper discusses the results obtained in ESR-assisted studies of the kinetics of formation and transformation of silver atoms generated by γ-irradiation of silver-containing carriers. Three types of dependences have been established: (1) extreme; (2) saturation curves and (3) step-like. All the kinetic curves display, after a definite period of time, stable concentrations of adsorbed silver atoms per unit of the surface at a given temperature. Depending on the temperature of the experiment, the composition and nature of the carrier, the number of adsorbed silver ions, the irradiation dose and conditions of the experiment, a stable concentration of silver atoms at a given temperature may be equal to, higher or lower than the number of silver atoms measured immediately after γ-irradiation at a temperature of liquid nitrogen. A kinetic scheme is proposed to explain the obtained curves. The model suggests that the silver atoms adsorbed on the surface, as well as those formed after γ-irradiation, are bonded to the surface by various energies, which are related to heterogeneity of the carrier surface. (author)

  12. Kinetic and spectral descriptions of autoionization phenomena associated with atomic processes in plasmas

    Science.gov (United States)

    Jacobs, Verne L.

    2017-06-01

    This investigation has been devoted to the theoretical description and computer modeling of atomic processes giving rise to radiative emission in energetic electron and ion beam interactions and in laboratory plasmas. We are also interested in the effects of directed electron and ion collisions and of anisotropic electric and magnetic fields. In the kinetic-theory description, we treat excitation, de-excitation, ionization, and recombination in electron and ion encounters with partially ionized atomic systems, including the indirect contributions from processes involving autoionizing resonances. These fundamental collisional and electromagnetic interactions also provide particle and photon transport mechanisms. From the spectral perspective, the analysis of atomic radiative emission can reveal detailed information on the physical properties in the plasma environment, such as non-equilibrium electron and charge-state distributions as well as electric and magnetic field distributions. In this investigation, a reduced-density-matrix formulation is developed for the microscopic description of atomic electromagnetic interactions in the presence of environmental (collisional and radiative) relaxation and decoherence processes. Our central objective is a fundamental microscopic description of atomic electromagnetic processes, in which both bound-state and autoionization-resonance phenomena can be treated in a unified and self-consistent manner. The time-domain (equation-of-motion) and frequency-domain (resolvent-operator) formulations of the reduced-density-matrix approach are developed in a unified and self-consistent manner. This is necessary for our ultimate goal of a systematic and self-consistent treatment of non-equilibrium (possibly coherent) atomic-state kinetics and high-resolution (possibly overlapping) spectral-line shapes. We thereby propose the introduction of a generalized collisional-radiative atomic-state kinetics model based on a reduced

  13. Growth kinetics and initial stage growth during plasma-enhanced Ti atomic layer deposition

    CERN Document Server

    Kim, H

    2002-01-01

    We have investigated the growth kinetics of plasma-enhanced Ti atomic layer deposition (ALD) using a quartz crystal microbalance. Ti ALD films were grown at temperatures from 20 to 200 deg. C using TiCl sub 4 as a source gas and rf plasma-produced atomic H as the reducing agent. Postdeposition ex situ chemical analyses of thin films showed that the main impurity is oxygen, mostly incorporated during the air exposure prior to analysis. The thickness per cycle, corresponding to the growth rate, was measured by quartz crystal microbalance as a function of various key growth parameters, including TiCl sub 4 and H exposure time, rf plasma power, and sample temperature. The growth rates were independent of TiCl sub 4 exposure above 1x10 sup 3 L, indicating typical ALD mode growth. The key kinetic parameters for Cl extraction reaction and TiCl sub 4 adsorption kinetics were obtained and the growth kinetics were modeled to predict the growth rates based upon these results. Also, the dependency of growth kinetics on d...

  14. H atom kinetics in superheated water studied by muon spin spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Percival, Paul W. [Department of Chemistry and TRIUMF, Simon Fraser University, 8888 University Drive, Burnaby BC, V5A 1S6 (Canada)]. E-mail: percival@sfu.ca; Brodovitch, Jean-Claude [Department of Chemistry and TRIUMF, Simon Fraser University, 8888 University Drive, Burnaby BC, V5A 1S6 (Canada); Ghandi, Khashayar [Department of Chemistry and TRIUMF, Simon Fraser University, 8888 University Drive, Burnaby BC, V5A 1S6 (Canada); McCollum, Brett M. [Department of Chemistry and TRIUMF, Simon Fraser University, 8888 University Drive, Burnaby BC, V5A 1S6 (Canada); McKenzie, Iain [Department of Chemistry and TRIUMF, Simon Fraser University, 8888 University Drive, Burnaby BC, V5A 1S6 (Canada)

    2007-08-15

    It is possible to study H atom chemistry in aqueous systems over a wide range of conditions, from standard to supercritical, using the exotic atom muonium (Mu) as an effective light isotope of hydrogen. The Mu rate constants exhibit marked non-Arrhenius behaviour, going through a maximum and fall-off as the density is reduced in the neighbourhood of the critical point, and subsequent recovery as the medium becomes more gas-like. This is illustrated with new kinetic data for the reaction of Mu with methanol.

  15. H atom kinetics in superheated water studied by muon spin spectroscopy

    International Nuclear Information System (INIS)

    Percival, Paul W.; Brodovitch, Jean-Claude; Ghandi, Khashayar; McCollum, Brett M.; McKenzie, Iain

    2007-01-01

    It is possible to study H atom chemistry in aqueous systems over a wide range of conditions, from standard to supercritical, using the exotic atom muonium (Mu) as an effective light isotope of hydrogen. The Mu rate constants exhibit marked non-Arrhenius behaviour, going through a maximum and fall-off as the density is reduced in the neighbourhood of the critical point, and subsequent recovery as the medium becomes more gas-like. This is illustrated with new kinetic data for the reaction of Mu with methanol

  16. Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Frank E., E-mail: harris@qtp.ufl.edu [Department of Physics, University of Utah, Salt Lake City, Utah 84112, USA and Quantum Theory Project, University of Florida, P.O. Box 118435, Gainesville, Florida 32611 (United States)

    2016-05-28

    Hylleraas-CI is a superposition-of-configurations method in which each configuration is constructed from a Slater-type orbital (STO) product to which is appended (linearly) at most one interelectron distance r{sub ij}. Computations of the kinetic energy for atoms by this method have been difficult due to the lack of formulas expressing these matrix elements for general angular momentum in terms of overlap and potential-energy integrals. It is shown here that a strategic application of angular-momentum theory, including the use of vector spherical harmonics, enables the reduction of all atomic kinetic-energy integrals to overlap and potential-energy matrix elements. The new formulas are validated by showing that they yield correct results for a large number of integrals published by other investigators.

  17. Kinetics and mechanism of the gas phase reaction of Cl atoms with iodobenzene

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Ponomarev, DA; Nielsen, OJ

    2001-01-01

    Smog chamber/FTIR techniques were used to study the kinetics and mechanism of the reaction of Cl atoms with iodobenzene (C6H5I) in 20-700 Torr of N-2, air, or O-2 diluent at 296 K. The reaction proceeds with a rate constant k(Cl + QH(5)I) = (3.3 +/- 0.7) x 10(-11) cm(3) molecule(-1) s(-1) to give...

  18. LIME - a flexible, non-LTE line excitation and radiation transfer method for millimeter and far-infrared wavelengths

    DEFF Research Database (Denmark)

    Brinch, Christian; Hogerheijde, Michiel

    2010-01-01

    We present a new code for solving the molecular and atomic excitation and radiation transfer problem in a molecular gas and predicting emergent spectra. This code works in arbitrary three dimensional geometry using unstructured Delaunay latices for the transport of photons. Various physical model...

  19. Non-LTE modeling of the radiative properties of high-Z plasma using linear response methodology

    Science.gov (United States)

    Foord, Mark; Harte, Judy; Scott, Howard

    2017-10-01

    Non-local thermodynamic equilibrium (NLTE) atomic processes play a key role in the radiation flow and energetics in highly ionized high temperature plasma encountered in inertial confinement fusion (ICF) and astrophysical applications. Modeling complex high-Z atomic systems, such as gold used in ICF hohlraums, is particularly challenging given the complexity and intractable number of atomic states involved. Practical considerations, i.e. speed and memory, in large radiation-hydrodynamic simulations further limit model complexity. We present here a methodology for utilizing tabulated NLTE radiative and EOS properties for use in our radiation-hydrodynamic codes. This approach uses tabulated data, previously calculated with complex atomic models, modified to include a general non-Planckian radiation field using a linear response methodology. This approach extends near-LTE response method to conditions far from LTE. Comparisons of this tabular method with in-line NLTE simulations of a laser heated 1-D hohlraum will be presented, which show good agreement in the time-evolution of the plasma conditions. This work was performed under the auspices of the U.S. Dept. of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  20. Surface coverage of Pt atoms on PtCo nanoparticles and catalytic kinetics for oxygen reduction

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Rongzhong, E-mail: rongzhong.jiang@us.army.mi [Sensors and Electron Devices Directorate, U.S. Army Research Laboratory, 2800 Powder Mill Road, Adelphi, MD 20783-1197 (United States); Rong, Charles; Chu, Deryn [Sensors and Electron Devices Directorate, U.S. Army Research Laboratory, 2800 Powder Mill Road, Adelphi, MD 20783-1197 (United States)

    2011-02-01

    The surface coverage of Pt atoms on PtCo nanoparticles and its effect on catalytic kinetics for oxygen reduction were investigated. The PtCo nanoparticles with different surface coverage of Pt atoms were synthesized with various methods, including normal chemical method, microemulsion synthesis, and ultrasound-assisted microemulsion. A model of Pt atoms filling into a spherical nanoparticle was proposed to explain the relationship of surface metal atoms and nanoparticle size. The catalytic activity of the PtCo nano-particles is highly dependent on the synthetic methods, even if they have the same chemical composition. The PtCo nano-particles synthesized with ultrasound-assisted microemulsion showed the highest activity, which is attributed to an increase of active surface coverage of Pt atoms on the metal nanoparticles. The rate of oxygen reduction at 0.5 V (vs. SCE) catalyzed by the PtCo synthesized with ultrasound-assisted micro-emulsion was about four times higher than that of the PtCo synthesized with normal chemical method. As demonstrated with rotating-ring disk electrode measurement, the PtCo nano-particles can catalyze oxygen 4-electron reduction to water without intermediate H{sub 2}O{sub 2} detected.

  1. Microstructural characterization and grain growth kinetics of atomized Fe-6%Si alloy

    Energy Technology Data Exchange (ETDEWEB)

    Florio Filho, A.; Bolfarini, C.; Kiminami, C.S. [Dept. de Engenharia de Materiais, Univ. Federal de Sao Carlos, Sao Carlos SP (Brazil)

    2001-07-01

    The microstructural characterization of the overspray powders is considered an important step to evaluate the as-cast microstructure of preforms fabricated by spray forming process. The particles generated during the high pressure gas atomization fly toward a substrate located at the middle height into the atomization chamber and consolidate to a dense deposit. The solidification process begins already during the flight of the droplets and high cooling rate can be achieved by the droplets of the molten metal during the atomization step. Consequently, the microstructure of the preform has some typical features presented by rapidly solidified metals as low level of porosity and segregation and it is strongly influenced by the thermal history of the droplets during flight. In the present work the microstructure of the particles of the Fe-6%Si alloy was analysed by light microscopy and scanning electron microscopy (SEM). The experimental determination of the kinetic exponent n for grain boundary migration in both powder and preform was determined by isothermal treatment under argon atmosphere. It has been stated that the larger the particle size the greater the grain size in Fe-6%Si alloy. It was observed also that the interface morphology is strongly related to the particle size. Furthermore, the grain growth kinetic in the preform seems to not obey the migration mechanism where the self diffusion of elemental Fe drive the boundary displacement. (orig.)

  2. Non-LTE analysis of extremely helium-rich stars. The hot sdO stars LSE 153, 259 and 263

    Science.gov (United States)

    Husfeld, D.; Butler, K.; Heber, U.; Drilling, J. S.

    1989-01-01

    Results of a non-LTE fine analysis based mainly on high-resolution CASPEC spectra for three extremely helium-rich sdO stars are discussed in order to explain hydrogen deficiency in single stars. High temperature (Teff = 70,000 to 75,000 K) and a position in the log Teff - log g diagram were found close to the Eddington limit. Various abundance estimates are derived for hydrogen (upper limits only), carbon, nitrogen, and magnesium. Hydrogen is reduced to less than 10 percent by number in LSE 153 and LSE 263, and to less than 5 percent in LSE 259. The hydrogen deficiency is accompanied by nitrogen- and carbon-enrichment in LSE 153 and LSE 259 only. In LSE 263, carbon is depleted by about 1 dex. Stellar masses obtained by assuming that a core mass-luminosity relation holds for these stars, were found to be in the range 0.6-0.9 solar mass, yielding luminosities log L/L:solar = 3.7-4.5. Two of the program stars (LSE 153 and 259) appear to be possible successors of the R CrB and helium B stars, whereas the third star (LSE 263) displays a much lower carbon content in its photosphere making it an exceptional case among the known hydrogen deficient stars.

  3. Implementing atomic force microscopy (AFM) for studying kinetics of gold nanoparticle's growth

    DEFF Research Database (Denmark)

    Georgiev, P.; Bojinova, A.; Kostova, B.

    2013-01-01

    In a novel experimental approach Atomic Force Microscopy (AFM) was applied as a tool for studying the kinetics of gold nanoparticle growth. The gold nanoparticles were obtained by classical Turkevich citrate synthesis at two different temperatures. From the analysis of AFM images during...... the synthesis process the nanoparticle s' sizes were obtained. To demonstrate the applicability and the reliability of the proposed experimental approach we studied the nanoparticles growth at two different temperatures by spectrophotometric measurements and compared them with the results from AFM experimental...

  4. Kinetic study of the reaction of chlorine atoms with hydroxyacetone in gas-phase

    Science.gov (United States)

    Stoeffler, Clara; Joly, Lilian; Durry, Georges; Cousin, Julien; Dumelié, Nicolas; Bruyant, Aurélien; Roth, Estelle; Chakir, Abdelkhaleq

    2013-12-01

    In this letter the kinetics of the reaction of hydroxyacetone CH3C(O)CH2OH with Cl atoms is investigated using the relative rate technique. Experiments are carried out in a 65 L multipass photoreactor in the temperature range of 281-350 K. A mid-infrared spectrometer based on a quantum cascade laser in external cavity emitting at 9.5 μm is used to analyze the reactants. The determined rate coefficient for the investigated reaction is (1.7 ± 0.3) × 10-11exp(381.5 ± 57.3/T). The results are presented and discussed in terms of precision and compared with those obtained previously. The impact of Cl atoms on the atmospheric life time of hydroxyacetone is also discussed. Developing analytical techniques to quantify this compound in the atmosphere. Several methods of measurement have been used including the technique of proton transfer mass spectrometry (PTR-MS) [2] and derivatization with a chemical agent such as dinitrophenylhydrazine (DNPH) [3,4] followed by GC/MS or HPLC analyses. The HA amount in the troposphere was found to be in the order of a few hundred parts per trillion by volume [4], Performing laboratory experiments in order to study the HA reactivity with atmospheric oxidants. The first study on the kinetic of the reaction between OH radicals and HA was made by Dagault et al. [5] whose work was performed at room temperature by flash photolysis-resonance fluorescence. The determined rate constant implies a lifetime of a few days for HA relative to oxidation by OH radicals. Orlando et al. performed mechanistic and kinetics studies of the reaction of HA with OH radicals and Cl atoms at room temperature using a relative method [6]. Products detection was performed using FTIR spectroscopy. Moreover, these authors studied the photolysis of HA to determine its quantum yield and UV absorption spectrum. These studies showed that HA is principally removed from the atmosphere by reaction with OH radicals. Kinetic studies of the reaction of OH radicals with HA as a

  5. Fundamental kinetics and innovative applications of nonequilibrium atomic vibration in thermal energy transport and conversion

    Science.gov (United States)

    Shin, Seungha

    All energy conversion inefficiencies begin with emission of resonant atomic motions, e.g., vibrations, and are declared as waste heat once these motions thermalize to equilibrium. The nonequilibrium energy occupancy of the vibrational modes can be targeted as a harvestable, low entropy energy source for direct conversion to electric energy. Since the lifetime of these resonant vibrations is short, special nanostructures are required with the appropriate tuning of the kinetics. These in turn require multiscale, multiphysics treatments. Atomic vibration is described with quasiparticle phonon in solid, and the optical phonon emission is dominant relaxation channel in semiconductors. These optical modes become over-occupied when their emission rate becomes larger than their decay rate, thus hindering energy relaxation and transport in devices. Effective removal of these phonons by drifting electrons is investigated by manipulating the electron distribution to have higher population in the low-energy states, thus allowing favorable phonon absorption. This is done through introduction, design and analysis of a heterobarrier conducting current, where the band gap is controlled by alloying, thus creating a spatial variation which is abrupt followed by a linear gradient (to ensure directed current). Self-consistent ensemble Monte Carlo simulations based on interaction kinetics between electron and phonon show that up to 19% of the phonon energy is converted to electric potential with an optimized GaAs/AlxGa1-xAs barrier structure over a range of current and electron densities, and this system is also verified through statistical entropy analysis. This direct energy conversion improves the device performance with lower operation temperature and enhances overall energy conversion efficiency. Through this study, the paradigm for harvesting the resonant atomic vibration is proposed, reversing the general role of phonon as only causing electric potential drop. Fundamentals

  6. Adsorption/desorption kinetics of Na atoms on reconstructed Si (111)-7 x 7 surface

    International Nuclear Information System (INIS)

    Chauhan, Amit Kumar Singh; Govind; Shivaprasad, S.M.

    2010-01-01

    Self-assembled nanostructures on a periodic template are fundamentally and technologically important as they put forward the possibility to fabricate and pattern micro/nano-electronics for sensors, ultra high-density memories and nanocatalysts. Alkali-metal (AM) nanostructure grown on a semiconductor surface has received considerable attention because of their simple hydrogen like electronic structure. However, little efforts have been made to understand the fundamental aspects of the growth mechanism of self-assembled nanostructures of AM on semiconductor surfaces. In this paper, we report organized investigation of kinetically controlled room-temperature (RT) adsorption/desorption of sodium (Na) metal atoms on clean reconstructed Si (111)-7 x 7 surface, by X-ray photoelectron spectroscopy (XPS). The RT uptake curve shows a layer-by-layer growth (Frank-vander Merve growth) mode of Na on Si (111)-7 x 7 surfaces and a shift is observed in the binding energy position of Na (1s) spectra. The thermal stability of the Na/Si (111) system was inspected by annealing the system to higher substrate temperatures. Within a temperature range from RT to 350 o C, the temperature induced mobility to the excess Na atoms sitting on top of the bilayer, allowing to arrange themselves. Na atoms desorbed over a wide temperature range of 370 o C, before depleting the Si (111) surface at temperature 720 o C. The acquired valence-band (VB) spectra during Na growth revealed the development of new electronic-states near the Fermi level and desorption leads the termination of these. For Na adsorption up to 2 monolayers, decrease in work function (-1.35 eV) was observed, whereas work function of the system monotonically increases with Na desorption from the Si surface as observed by other studies also. This kinetic and thermodynamic study of Na adsorbed Si (111)-7 x 7 system can be utilized in fabrication of sensors used in night vision devices.

  7. Simple Analytic Collisional Rates for non-LTE Vibrational Populations in Astrophysical Environments: the Cases of Circumstellar SiO Masers and Shocked H2

    Science.gov (United States)

    Bieniek, Ronald

    2008-05-01

    Rates for collisionally induced transitions between molecular vibrational levels are important in modeling a variety of non-LTE processes in astrophysical environments. Two examples are SiO masering in circumstellar envelopes in certain late-type stars [1] and the vibrational populations of molecular hydrogen in shocked interstellar medium [cf 2]. A simple exponential-potential model of molecular collisions leads to a two-parameter analytic expression for state-to-state and thermally averaged rates for collisionally induced vibrational-translational (VT) transitions in diatomic molecules [3,4]. The thermally averaged rates predicted by this formula have been shown to be in excellent numerical agreement with absolute experimental and quantum mechanical rates over large temperature ranges and initial vibrational excitation levels in a variety of species, e.g., OH, O2, N2 [3] and even for the rate of H2(v=1)+H2, which changes by five orders of magnitude in the temperature range 50-2000 K [4]. Analogous analytic rates will be reported for vibrational transitions in SiO due to collisions with H2 and compared to the numerical fit of quantum-mechanical rates calculated by Bieniek and Green [5]. [1] Palov, A.P., Gray, M.D., Field, D., & Balint-Kurti, G.G. 2006, ApJ, 639, 204. [2] Flower, D. 2007, Molecular Collisions in the Interstellar Medium (Cambridge: Cambridge Univ. Press) [3] Bieniek, R.J. & Lipson, S.J. 1996, Chem. Phys. Lett. 263, 276. [4] Bieniek, R.J. 2006, Proc. NASA LAW (Lab. Astrophys. Workshop) 2006, 299; http://www.physics.unlv.edu/labastro/nasalaw2006proceedings.pdf. [5] Bieniek, R.J., & Green, S. 1983, ApJ, 265, L29 and 1983, ApJ, 270, L101.

  8. Transition from LEDCOP to ATOMIC

    International Nuclear Information System (INIS)

    Magee, N.H.; Abdallah, J.; Colgan, J.; Hakel, P.; Kilcrease, D.P.; Mazevet, S.; Sherrill, M.E.; Fontes, C.J.; Zhang, H.

    2004-01-01

    This paper discusses the development of the ATOMIC code, a new low to mid Z opacity code, which will replace the current Los Alamos low Z opacity code LEDCOP. The ATOMIC code is based on the FINE code, long used by the Los Alamos group for spectral comparisons in local thermodynamic equilibrium (LTE) and for non-LTE calculations, both utilizing the extensive databases from the atomic physics suite of codes based on the work of R.D. Cowan. Many of the plasma physics packages in LEDCOP, such as line broadening and free-free absorption, are being transferred to the new ATOMIC code. A new equation of state (EOS) model is being developed to allow higher density calculations than were possible with either the FINE or LEDCOP codes. Extensive modernization for both ATOMIC and the atomic physics code suites, including conversion to Fortran 90 and parallelization, are underway to speed up the calculations and to allow the use of expanded databases for both the LTE opacity tables and the non-LTE calculations. Future plans for the code will be outlined, including considerations for new generation opacity tables.

  9. Kinetic energy of shakeoff atomic electrons from 37K β+ decay

    Science.gov (United States)

    Behr, J. A.; Gorelov, A.; Farfan, C.; Smale, S.; Olchanski, K.; Kurchananov, L.; Anholm, M.; Behling, R. S.; Fenker, B.; Shidling, P. D.; Mehlman, M.; Melconian, D.; Ashery, D.; Gwinner, G.; Trinat Collaboration

    2013-10-01

    We have measured the kinetic energies from 0 to 30 eV of atomic shakeoff electrons from the β+ decay of 37K. Despite much experimental and theoretical work on the distribution of final ion charge states, shakeoff electrons from β- decay have only been measured with energies above 150 eV [Mitrokhovich, Nucl. Phys. Atom. Energy, 11, 125 (2010)]. We use our magneto-optical trap's time-varying magnetic quadrupole field combined with a uniform electric field as a spectrometer. Our result has more 15 eV electrons than a model using the sudden approximation and hydrogenic wavefunctions [Levinger, Phys. Rev. 90, 11 (1958)]. The total energy carried away by electrons is, as expected, a negligible correction to superallowed Ft values. Understanding the energy of these low-energy electrons is important for their use in precision β decay to select events coming from trapped atoms and start time-of-flight for the recoil ions. Our results could provide a benchmark for shakeoff electron calculations used for biological radiation damage [Lee, Comp. Math. Meth in Medicine doi:10.1155/2012/651475]. Support: NSERC, NRC through TRIUMF, DOE ER41747 ER40773, State of Texas, Israel Science Foundation.

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

    Science.gov (United States)

    Shantappa, A.; Hanagodimath, S. M.

    2014-01-01

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

  11. Exact correlated kinetic energy related to the electron density for two-electron model atoms with harmonic confinement

    International Nuclear Information System (INIS)

    March, Norman H.; Akbari, Ali; Rubio, Angel

    2007-01-01

    For arbitrary interparticle interaction u(r 12 ), the model two-electron atom in the title is shown to be such that the ground-state electron density ρ(r) is determined uniquely by the correlated kinetic energy density t R (r) of the relative motion. Explicit results for t R (r) are presented for the Hookean atom with force constant k=1/4, and also for u(r 12 )=(λ)/(r 12 2 ) . Possible relevance of the Hookean atom treatment to the ground state of the helium atom itself is briefly discussed

  12. Characterization of electron states in dense plasmas and its use in atomic kinetics modeling

    International Nuclear Information System (INIS)

    Fisher, D.V.; Maron, Y.

    2003-01-01

    We describe a self-consistent statistical approach to account for plasma density effects in collisional-radiative kinetics. The approach is based on the characterization of three distinct types of electron states, namely, bound, collectivized, and free, and on the formalism of the effective statistical weights (ESW) of the bound states. The present approach accounts for individual and collective effects of the surrounding electrons and ions on atomic (ionic) electron states. High-accuracy expressions for the ESWs of bound states have been derived. The notions of ionization stage population, free electron density, and rate coefficient are redefined in accordance with the present characterization scheme. The modified expressions for the probabilities of electron-impact induced transitions as well as spontaneous and induced radiative transitions are then obtained. The influence of collectivized states on a dense plasma ionization composition is demonstrated to be strong. Examples of calculated ESWs and populations of ionic quantum states for steady state and transient plasmas are given

  13. Surface kinetic roughening caused by dental erosion: An atomic force microscopy study

    Science.gov (United States)

    Quartarone, Eliana; Mustarelli, Piercarlo; Poggio, Claudio; Lombardini, Marco

    2008-05-01

    Surface kinetic roughening takes place both in case of growth and erosion processes. Teeth surfaces are eroded by contact with acid drinks, such as those used to supplement mineral salts during sporting activities. Calcium-phosphate based (CPP-ACP) pastes are known to reduce the erosion process, and to favour the enamel remineralization. In this study we used atomic force microscopy (AFM) to investigate the surface roughening during dental erosion, and the mechanisms at the basis of the protection role exerted by a commercial CPP-ACP paste. We found a statistically significant difference (p<0.01) in the roughness of surfaces exposed and not exposed to the acid solutions. The treatment with the CPP-ACP paste determined a statistically significant reduction of the roughness values. By interpreting the AFM results in terms of fractal scaling concepts and continuum stochastic equations, we showed that the protection mechanism of the paste depends on the chemical properties of the acid solution.

  14. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    Energy Technology Data Exchange (ETDEWEB)

    Vos, M. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Marmitt, G. G. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Finkelstein, Y. [Nuclear Research Center — Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)

    2015-09-14

    Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

  15. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    International Nuclear Information System (INIS)

    Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.

    2015-01-01

    Reflection electron energy loss spectra from some insulating materials (CaCO 3 , Li 2 CO 3 , and SiO 2 ) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO 2 , good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E gap ) 1.5 . For CaCO 3 , the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li 2 CO 3 (7.5 eV) is the first experimental estimate

  16. 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

  17. Kinetics and mechanism of the gas-phase reaction of Cl atoms and OH radicals with fluorobenzene at 296 K

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Nielsen, Ole John; Hurley, MD

    2002-01-01

    Smog chamber/FTIR techniques were used to study the kinetics and mechanism of the reaction of Cl atoms and OH radicals with fluorobenzene, C6H5F, in 700 Torr of N-2 or air diluent at 296 K. Reaction of Cl atoms with C6H5F proceeds via two pathways: H-atom abstraction to give HCl and the C6H4F...... with Cl atoms via a mechanism which, at least in part, leads neither to production of C6H5Cl nor to reformation of C6H5F. As the steady-state Cl atom concentration is increased, the fraction of the C6H5F-Cl adduct undergoing reaction with Cl atoms increases causing an increase in the effective rate...

  18. A method for ion distribution function evaluation using escaping neutral atom kinetic energy samples

    International Nuclear Information System (INIS)

    Goncharov, P.R.; Ozaki, T.; Veshchev, E.A.; Sudo, S.

    2008-01-01

    A reliable method to evaluate the probability density function for escaping atom kinetic energies is required for the analysis of neutral particle diagnostic data used to study the fast ion distribution function in fusion plasmas. Digital processing of solid state detector signals is proposed in this paper as an improvement of the simple histogram approach. Probability density function for kinetic energies of neutral particles escaping from the plasma has been derived in a general form taking into account the plasma ion energy distribution, electron capture and loss rates, superposition along the diagnostic sight line and the magnetic surface geometry. A pseudorandom number generator has been realized that enables a sample of escaping neutral particle energies to be simulated for given plasma parameters and experimental conditions. Empirical probability density estimation code has been developed and tested to reconstruct the probability density function from simulated samples assuming. Maxwellian and classical slowing down plasma ion energy distribution shapes for different temperatures and different slowing down times. The application of the developed probability density estimation code to the analysis of experimental data obtained by the novel Angular-Resolved Multi-Sightline Neutral Particle Analyzer has been studied to obtain the suprathermal particle distributions. The optimum bandwidth parameter selection algorithm has also been realized. (author)

  19. Kinetics of the reactions of bromine atoms with a series of aliphatic aldehydes at 298 K

    Energy Technology Data Exchange (ETDEWEB)

    Szilagyi, I.; Imrik, K.; Dobe, S.; Berces, T. [Magyar Tudomanyos Akademia, Budapest (Hungary). Koezponti Kemiai Kutato Intezete

    1998-01-01

    The kinetics of the reactions of Br({sup 2}P{sub 3/2}) with selected aldehydes, i.e. ethanal (1), propanal (2), 2-methyl-propanal (3), 2.2-dimethyl-propanal (4) and trichloroacetaldehyde (5) were studied at 298{+-}2 K. Rate constants for overall reactions were measured using the fast flow technique with resonance fluorescence detection of Br. Complementary determinations were carried out by the laser flash photolysis method. The following rate constants were obtained in the kinetic measurements ({+-}2{sigma}): k{sub 1}=(2.1{+-}0.2) x 10{sup 12}, k{sub 2}=(4.3{+-}0.4) x 10{sup 12}, k{sub 3}=(6.3{+-}1.4) x 10{sup 12}, k{sub 4}=(8.5{+-}0.8) x 10{sup 12}, k{sub 5}{<=}1 x 10{sup 9}, all in cm{sup 3}mol{sup -1}s{sup -1} units. The probable mechanism for the reactions of bromine atoms with aliphatic aldehydes has been discussed. (orig.)

  20. The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin films.

    Science.gov (United States)

    Haji-Akbari, Amir; Debenedetti, Pablo G

    2014-07-14

    Glasses have a wide range of technological applications. The recent discovery of ultrastable glasses that are obtained by depositing the vapor of a glass-forming liquid onto the surface of a cold substrate has sparked renewed interest in the effects of confinements on physicochemical properties of liquids and glasses. Here, we use molecular dynamics simulations to study the effect of substrate on thin films of a model glass-forming liquid, the Kob-Andersen binary Lennard-Jones system, and compute profiles of several thermodynamic and kinetic properties across the film. We observe that the substrate can induce large oscillations in profiles of thermodynamic properties such as density, composition, and stress, and we establish a correlation between the oscillations in total density and the oscillations in normal stress. We also demonstrate that the kinetic properties of an atomic film can be readily tuned by changing the strength of interactions between the substrate and the liquid. Most notably, we show that a weakly attractive substrate can induce the emergence of a highly mobile region in its vicinity. In this highly mobile region, structural relaxation is several times faster than in the bulk, and the exploration of the potential energy landscape is also more efficient. In the subsurface region near a strongly attractive substrate, however, the dynamics is decelerated and the sampling of the potential energy landscape becomes less efficient than the bulk. We explain these two distinct behaviors by establishing a correlation between the oscillations in kinetic properties and the oscillations in lateral stress. Our findings offer interesting opportunities for designing better substrates for the vapor deposition process or developing alternative procedures for situations where vapor deposition is not feasible.

  1. The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin films

    Energy Technology Data Exchange (ETDEWEB)

    Haji-Akbari, Amir; Debenedetti, Pablo G., E-mail: pdebene@exchange.princeton.edu [Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544 (United States)

    2014-07-14

    Glasses have a wide range of technological applications. The recent discovery of ultrastable glasses that are obtained by depositing the vapor of a glass-forming liquid onto the surface of a cold substrate has sparked renewed interest in the effects of confinements on physicochemical properties of liquids and glasses. Here, we use molecular dynamics simulations to study the effect of substrate on thin films of a model glass-forming liquid, the Kob-Andersen binary Lennard-Jones system, and compute profiles of several thermodynamic and kinetic properties across the film. We observe that the substrate can induce large oscillations in profiles of thermodynamic properties such as density, composition, and stress, and we establish a correlation between the oscillations in total density and the oscillations in normal stress. We also demonstrate that the kinetic properties of an atomic film can be readily tuned by changing the strength of interactions between the substrate and the liquid. Most notably, we show that a weakly attractive substrate can induce the emergence of a highly mobile region in its vicinity. In this highly mobile region, structural relaxation is several times faster than in the bulk, and the exploration of the potential energy landscape is also more efficient. In the subsurface region near a strongly attractive substrate, however, the dynamics is decelerated and the sampling of the potential energy landscape becomes less efficient than the bulk. We explain these two distinct behaviors by establishing a correlation between the oscillations in kinetic properties and the oscillations in lateral stress. Our findings offer interesting opportunities for designing better substrates for the vapor deposition process or developing alternative procedures for situations where vapor deposition is not feasible.

  2. The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin films

    International Nuclear Information System (INIS)

    Haji-Akbari, Amir; Debenedetti, Pablo G.

    2014-01-01

    Glasses have a wide range of technological applications. The recent discovery of ultrastable glasses that are obtained by depositing the vapor of a glass-forming liquid onto the surface of a cold substrate has sparked renewed interest in the effects of confinements on physicochemical properties of liquids and glasses. Here, we use molecular dynamics simulations to study the effect of substrate on thin films of a model glass-forming liquid, the Kob-Andersen binary Lennard-Jones system, and compute profiles of several thermodynamic and kinetic properties across the film. We observe that the substrate can induce large oscillations in profiles of thermodynamic properties such as density, composition, and stress, and we establish a correlation between the oscillations in total density and the oscillations in normal stress. We also demonstrate that the kinetic properties of an atomic film can be readily tuned by changing the strength of interactions between the substrate and the liquid. Most notably, we show that a weakly attractive substrate can induce the emergence of a highly mobile region in its vicinity. In this highly mobile region, structural relaxation is several times faster than in the bulk, and the exploration of the potential energy landscape is also more efficient. In the subsurface region near a strongly attractive substrate, however, the dynamics is decelerated and the sampling of the potential energy landscape becomes less efficient than the bulk. We explain these two distinct behaviors by establishing a correlation between the oscillations in kinetic properties and the oscillations in lateral stress. Our findings offer interesting opportunities for designing better substrates for the vapor deposition process or developing alternative procedures for situations where vapor deposition is not feasible

  3. Kinetic analysis of interaction between N atoms and O-covered Ru(0001)

    International Nuclear Information System (INIS)

    Kang, Kai; Kleyn, A. W.; Gleeson, M. A.

    2015-01-01

    Eley-Rideal (ER) reactions involving neutral atoms heavier than hydrogen reacting with adsorbed atoms of similar mass were first observed in recent molecular beam experiments by Zaharia et al. [Phys. Rev. Lett. 113, 053201 (2014)]. Through analysis of two types of measurements, they obtained different estimations for the N–O ER reaction cross section, one of which is unexpectedly high. This was qualitatively accounted for by invoking a secondary effect whereby the presence of N adatoms on the surface acted to “shield” O adatoms from prompt recombinative desorption. We apply a rate equation model that includes two ER processes involving different adsorbed species (N–O ad and N–N ad ) and an N-adsorption process to the full-beam exposure subset of the experimental data in order to study the reaction kinetics. Values for the individual reaction cross sections are derived. The measured N 2 response can be well described by the model, but it is insufficient to completely describe the NO response. Modeling of different exposures is used to evaluate the qualitative picture presented by Zaharia et al

  4. Kinetic energy of He atoms in liquid 4He-3He mixtures

    International Nuclear Information System (INIS)

    Senesi, R.; Andreani, C.; Fielding, A.L.; Mayers, J.; Stirling, W.G.

    2003-01-01

    Deep inelastic neutron scattering measurements on liquid 3 He- 4 He mixtures in the normal phase have been performed on the VESUVIO spectrometer at the ISIS pulsed neutron source at exchanged wave vectors of about q≅120.0 A -1 . The neutron Compton profiles J(y) of the mixtures were measured along the T=1.96 K isotherm for 3 He concentrations, x, ranging from 0.1 to 1.0 at saturated vapor pressures. Values of kinetic energies of 3 He and 4 He atoms as a function of x, (x), were extracted from the second moment of J(y). The present determinations of (x) confirm previous experimental findings for both isotopes and, in the case of 3 He, a substantial disagreement with theory is found. In particular (x) for the 3 He atoms is found to be independent of concentration yielding a value 3 (x=0.1)≅12 K, much lower than the value suggested by the most recent theoretical estimates of approximately 19 K

  5. Kinetic study on hot-wire-assisted atomic layer deposition of nickel thin films

    International Nuclear Information System (INIS)

    Yuan, Guangjie; Shimizu, Hideharu; Momose, Takeshi; Shimogaki, Yukihiro

    2014-01-01

    High-purity Ni films were deposited using hot-wire-assisted atomic layer deposition (HW-ALD) at deposition temperatures of 175, 250, and 350 °C. Negligible amount of nitrogen or carbon contamination was detected, even though the authors used NH 2 radical as the reducing agent and nickelocene as the precursor. NH 2 radicals were generated by the thermal decomposition of NH 3 with the assist of HW and used to reduce the adsorbed metal growth precursors. To understand and improve the deposition process, the kinetics of HW-ALD were analyzed using a Langmuir-type model. Unlike remote-plasma-enhanced atomic layer deposition, HW-ALD does not lead to plasma-induced damage. This is a significant advantage, because the authors can supply sufficient NH 2 radicals to deposit high-purity metallic films by adjusting the distance between the hot wire and the substrate. NH 2 radicals have a short lifetime, and it was important to use a short distance between the radical generation site and substrate. Furthermore, the impurity content of the nickel films was independent of the deposition temperature, which is evidence of the temperature-independent nature of the NH 2 radical flux and the reactivity of the NH 2 radicals

  6. Optimization and characterization of a Pilot-psi cascaded arc with non-LTE numerical simulation of Ar, H{sub 2} gases

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Zahoor [National Tokamak Fusion Program, PO Box 3329, PAEC Islamabad (Pakistan); Goedheer, W J [FOM Institute for Plasmaphysics ' Rijnhuizen' , Association EURATOM-FOM, POBox 1207, 3430 BE Nieuwegein (Netherlands)

    2009-02-01

    A numerical simulation code, PLASIMO, is used to model non-LTE plasmas in the cascaded arc for hydrogen and argon. The purpose of these simulations is to optimize the cascaded arc plasma source, which is used to produce a high density plasma column in Pilot-psi, a linear device to study plasma surface interaction processes. Results are compared with the experimental findings to validate the model. The effect of a change in the arc channel geometry on the ionization degree is studied. It is found that for the hydrogen arc an increase in length beyond 30 mm will not increase the ionization degree, in contrast to widening the arc. With an increase in radius from 2 mm to 5 mm for a 30 mm long arc the degree of ionization of hydrogen increases from 5.4 to 38. For the argon arc an increase both in the length and in the width increases the ionization degree. With an increase in length from 30 mm to 40 mm for a 2 mm wide arc the degree of ionization of argon increases from 14.5 to 17.1, whereas with an increase in radius from 2 mm to 5 mm for 30 mm long arc the same increases from 14.5 to 37.5. To simulate the influence of the wall material, the effect of hydrogen wall association on the degree of ionization and dissociation is studied. Wall association in the nozzle section, where heating is absent, significantly reduces the degree of dissociation, in agreement with the experimental data. In Pilot-psi, the arc is operated in a high magnetic field, so the effect of a magnetic field on the yield of Ar{sup +} and H{sup +} ions leaving the arc is also studied. It is found that with a 3 T magnetic field the Ar{sup +} yield increases from 1.6 x 10{sup 20} to 2.1 x 10{sup 20} (25% increase) while the H{sup +} yield increases from 1.4 x 10{sup 20} to 2.9 x 10{sup 20} (100% increase)

  7. Measurements and kinetic modeling of atomic species in fuel-oxidizer mixtures excited by a repetitive nanosecond pulse discharge

    Science.gov (United States)

    Winters, C.; Eckert, Z.; Yin, Z.; Frederickson, K.; Adamovich, I. V.

    2018-01-01

    This work presents the results of number density measurements of metastable Ar atoms and ground state H atoms in diluted mixtures of H2 and O2 with Ar, as well as ground state O atoms in diluted H2-O2-Ar, CH4-O2-Ar, C3H8-O2-Ar, and C2H4-O2-Ar mixtures excited by a repetitive nanosecond pulse discharge. The measurements have been made in a nanosecond pulse, double dielectric barrier discharge plasma sustained in a flow reactor between two plane electrodes encapsulated within dielectric material, at an initial temperature of 500 K and pressures ranging from 300 Torr to 700 Torr. Metastable Ar atom number density distribution in the afterglow is measured by tunable diode laser absorption spectroscopy, and used to characterize plasma uniformity. Temperature rise in the reacting flow is measured by Rayleigh scattering. H atom and O atom number densities are measured by two-photon absorption laser induced fluorescence. The results are compared with kinetic model predictions, showing good agreement, with the exception of extremely lean mixtures. O atoms and H atoms in the plasma are produced mainly during quenching of electronically excited Ar atoms generated by electron impact. In H2-Ar and O2-Ar mixtures, the atoms decay by three-body recombination. In H2-O2-Ar, CH4-O2-Ar, and C3H8-O2-Ar mixtures, O atoms decay in a reaction with OH, generated during H atom reaction with HO2, with the latter produced by three-body H atom recombination with O2. The net process of O atom decay is O  +  H  →  OH, such that the decay rate is controlled by the amount of H atoms produced in the discharge. In extra lean mixtures of propane and ethylene with O2-Ar the model underpredicts the O atom decay rate. At these conditions, when fuel is completely oxidized by the end of the discharge burst, the net process of O atom decay, O  +  O  →  O2, becomes nearly independent of H atom number density. Lack of agreement with the data at these conditions is

  8. Atomistic kinetic Monte Carlo study of atomic layer deposition derived from density functional theory.

    Science.gov (United States)

    Shirazi, Mahdi; Elliott, Simon D

    2014-01-30

    To describe the atomic layer deposition (ALD) reactions of HfO2 from Hf(N(CH3)2)4 and H2O, a three-dimensional on-lattice kinetic Monte-Carlo model is developed. In this model, all atomistic reaction pathways in density functional theory (DFT) are implemented as reaction events on the lattice. This contains all steps, from the early stage of adsorption of each ALD precursor, kinetics of the surface protons, interaction between the remaining precursors (steric effect), influence of remaining fragments on adsorption sites (blocking), densification of each ALD precursor, migration of each ALD precursors, and cooperation between the remaining precursors to adsorb H2O (cooperative effect). The essential chemistry of the ALD reactions depends on the local environment at the surface. The coordination number and a neighbor list are used to implement the dependencies. The validity and necessity of the proposed reaction pathways are statistically established at the mesoscale. The formation of one monolayer of precursor fragments is shown at the end of the metal pulse. Adsorption and dissociation of the H2O precursor onto that layer is described, leading to the delivery of oxygen and protons to the surface during the H2O pulse. Through these processes, the remaining precursor fragments desorb from the surface, leaving the surface with bulk-like and OH-terminated HfO2, ready for the next cycle. The migration of the low coordinated remaining precursor fragments is also proposed. This process introduces a slow reordering motion (crawling) at the mesoscale, leading to the smooth and conformal thin film that is characteristic of ALD. Copyright © 2013 Wiley Periodicals, Inc.

  9. Visualisation and orbital-free parametrisation of the large-Z scaling of the kinetic energy density of atoms

    Science.gov (United States)

    Cancio, Antonio C.; Redd, Jeremy J.

    2017-03-01

    The scaling of neutral atoms to large Z, combining periodicity with a gradual trend to homogeneity, is a fundamental probe of density functional theory, one that has driven recent advances in understanding both the kinetic and exchange-correlation energies. Although research focus is normally upon the scaling of integrated energies, insights can also be gained from energy densities. We visualise the scaling of the positive-definite kinetic energy density (KED) in closed-shell atoms, in comparison to invariant quantities based upon the gradient and Laplacian of the density. We notice a striking fit of the KED within the core of any atom to a gradient expansion using both the gradient and the Laplacian, appearing as an asymptotic limit around which the KED oscillates. The gradient expansion is qualitatively different from that derived from first principles for a slowly varying electron gas and is correlated with a nonzero Pauli contribution to the KED near the nucleus. We propose and explore orbital-free meta-GGA models for the kinetic energy to describe these features, with some success, but the effects of quantum oscillations in the inner shells of atoms make a complete parametrisation difficult. We discuss implications for improved orbital-free description of molecular properties.

  10. Conductive atomic force microscopy study of InAs growth kinetics on vicinal GaAs (110)

    International Nuclear Information System (INIS)

    Tejedor, Paloma; Diez-Merino, Laura; Beinik, Igor; Teichert, Christian

    2009-01-01

    Conductive atomic force microscopy has been used to investigate the effect of atomic hydrogen and step orientation on the growth behavior of InAs on GaAs (110) misoriented substrates. Samples grown by conventional molecular beam epitaxy exhibit higher conductivity on [110]-multiatomic step edges, where preferential nucleation of InAs nanowires takes place by step decoration. On H-terminated substrates with triangular terraces bounded by [115]-type steps, three-dimensional InAs clusters grow selectively at the terrace apices as a result of a kinetically driven enhancement in upward mass transport via AsH x intermediate species and a reduction in the surface free energy.

  11. Correlated kinetic energy density functional of ground states of harmonically confined two-electron atoms for arbitrary interparticle interaction

    International Nuclear Information System (INIS)

    Amovilli, C; March, N H

    2012-01-01

    Utilizing the earlier work of Holas et al (2003 Phys. Lett. A 310 451) and the more recent contribution of Akbari et al (2009 Phys. Rev. A 80 032509), we construct an integral equation for the relative motion (RM) contribution t RM (r) to the correlated kinetic energy density for modelling two-electron atoms with harmonic confinement but arbitrary interparticle interaction. It is stressed that t RM = t RM [f(G)], where f(G) is the atomic scattering factor: the Fourier transform of the density ρ(r). As a simple illustrative example of this functional relation for the correlated kinetic energy density, the harmonic Moshinsky case is investigated, the scattering factor then having a Gaussian form. (paper)

  12. Automatic kinetic Monte-Carlo modeling for impurity atom diffusion in grain boundary structure of tungsten material

    Directory of Open Access Journals (Sweden)

    Atsushi M. Ito

    2017-08-01

    Full Text Available The diffusion process of hydrogen and helium in plasma-facing material depends on the grain boundary structures. Whether a grain boundary accelerates or limits the diffusion speed of these impurity atoms is not well understood. In the present work, we proposed the automatic modeling of a kinetic Monte-Carlo (KMC simulation to treat an asymmetric grain boundary structure that corresponds to target samples used in fusion material experiments for retention and permeation. In this method, local minimum energy sites and migration paths for impurity atoms in the grain boundary structure are automatically found using localized molecular dynamics. The grain boundary structure was generated with the Voronoi diagram. Consequently, we demonstrate that the KMC simulation for the diffusion process of impurity atoms in the generated grain boundary structure of tungsten material can be performed.

  13. 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)

  14. Determination of H-atom reaction rate constants by the competition kinetic technique using riboflavin as a standard solute [Paper No. RD-7

    International Nuclear Information System (INIS)

    Kishore, Kamal; Moorthy, P.N.; Rao, K.N.

    1982-01-01

    Riboflavin has been used as a standard solute to evaluate H-atom rate constants of other solutes by steady state radiolytic competition kinetic method. The bleaching of absorbance of riboflavin at 445 nm as a result of its reaction with H-atoms is made use of in estimating its decomposition. The merits and demerits of this method are discussed. (author)

  15. Galerkin method for unsplit 3-D Dirac equation using atomically/kinetically balanced B-spline basis

    International Nuclear Information System (INIS)

    Fillion-Gourdeau, F.; Lorin, E.; Bandrauk, A.D.

    2016-01-01

    A Galerkin method is developed to solve the time-dependent Dirac equation in prolate spheroidal coordinates for an electron–molecular two-center system. The initial state is evaluated from a variational principle using a kinetic/atomic balanced basis, which allows for an efficient and accurate determination of the Dirac spectrum and eigenfunctions. B-spline basis functions are used to obtain high accuracy. This numerical method is used to compute the energy spectrum of the two-center problem and then the evolution of eigenstate wavefunctions in an external electromagnetic field.

  16. Start broadened profiles with self-consistent radiation transfer and atomic kinetics in plasmas produced by high intensity lasers

    International Nuclear Information System (INIS)

    Olson, G.L.; Comly, J.C.; La Gattuta, J.K.; Kilcrease, D.P.

    1993-01-01

    Spectral line shapes and line strengths have long been used to diagnose plasma temperatures and densities. In dense plasmas, the additional broadening due to Stark effects give additional information about the plasma density. We present calculations that are self-consistent in that the radiation fields of the line transitions and the atomic kinetics are iterated to convergence. Examples are given for simple plasmas with temperature gradients, density gradients, and velocity fields. Then a more complex example of a laser produced plasma is presented

  17. Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by 3O2; Implications for Combustion Modeling and Simulation.

    Science.gov (United States)

    Zhou, Chong-Wen; Simmie, John M; Somers, Kieran P; Goldsmith, C Franklin; Curran, Henry J

    2017-03-09

    Hydrogen atom abstraction from allylic C-H bonds by molecular oxygen plays a very important role in determining the reactivity of fuel molecules having allylic hydrogen atoms. Rate constants for hydrogen atom abstraction by molecular oxygen from molecules with allylic sites have been calculated. A series of molecules with primary, secondary, tertiary, and super secondary allylic hydrogen atoms of alkene, furan, and alkylbenzene families are taken into consideration. Those molecules include propene, 2-butene, isobutene, 2-methylfuran, and toluene containing the primary allylic hydrogen atom; 1-butene, 1-pentene, 2-ethylfuran, ethylbenzene, and n-propylbenzene containing the secondary allylic hydrogen atom; 3-methyl-1-butene, 2-isopropylfuran, and isopropylbenzene containing tertiary allylic hydrogen atom; and 1-4-pentadiene containing super allylic secondary hydrogen atoms. The M06-2X/6-311++G(d,p) level of theory was used to optimize the geometries of all of the reactants, transition states, products and also the hinder rotation treatments for lower frequency modes. The G4 level of theory was used to calculate the electronic single point energies for those species to determine the 0 K barriers to reaction. Conventional transition state theory with Eckart tunnelling corrections was used to calculate the rate constants. The comparison between our calculated rate constants with the available experimental results from the literature shows good agreement for the reactions of propene and isobutene with molecular oxygen. The rate constant for toluene with O 2 is about an order magnitude slower than that experimentally derived from a comprehensive model proposed by Oehlschlaeger and coauthors. The results clearly indicate the need for a more detailed investigation of the combustion kinetics of toluene oxidation and its key pyrolysis and oxidation intermediates. Despite this, our computed barriers and rate constants retain an important internal consistency. Rate constants

  18. Theoretical study of the reaction kinetics of atomic bromine with tetrahydropyran

    KAUST Repository

    Giri, Binod; Lo, John M H; Roscoe, John M.; Alquaity, Awad; Farooq, Aamir

    2015-01-01

    A detailed theoretical analysis of the reaction of atomic bromine with tetrahydropyran (THP, C5H10O) was performed using several ab initio methods and statistical rate theory calculations. Initial geometries of all species involved in the potential

  19. Mechanism and kinetics of Fe, Cr, Mo and Mn atom interaction with molecular oxygen

    International Nuclear Information System (INIS)

    Akhmadov, U.S.; Zaslonko, I.S.; Smirnov, V.N.

    1988-01-01

    Rate constants of atomic interaction of some transition metals (Fe, Cr, Mo, Mn) with molecular oxygen are measured in shock waves using the resonance atomic-absorption method. A new method for determination of the parameter γ in the modified Lambert-Beer law D=ε(lN)γ is suggested and applied. Bond strength in CrO and MoO molecules is estimated

  20. Experimental study on the kinetically induced electronic excitation in atomic collisional cascades

    International Nuclear Information System (INIS)

    Meyer, S.

    2006-01-01

    the present thesis deals with the ion-collision-induced electronic excitation of metallic solids. For this for the first time metal-insulator-metal layer systems are used for the detection of this electronic excitation. The here applied aluminium/aluminium oxide/silver layer sytems have barrier heights of 2.4 eV on the aluminium respectively 3.3 eV on the silver side. With the results it could uniquely be shown that the electronic excitation is generated by kinetic processes, this excitation dependenc on the kinetic energy of the colliding particles, and the excitation dependes on the charge state of the projectile

  1. Non-LTE line formation of Fe in late-type stars - IV. Modelling of the solar centre-to-limb variation in 3D

    DEFF Research Database (Denmark)

    Lind, K.; Amarsi, A. M.; Asplund, M.

    2017-01-01

    Our ability to model the shapes and strengths of iron lines in the solar spectrum is a critical test of the accuracy of the solar iron abundance, which sets the absolute zero-point of all stellar metallicities. We use an extensive 463-level Fe atom with new photoionization cross-sections for Fe I...

  2. Barrierless growth of precursor-free, ultrafast laser-fragmented noble metal nanoparticles by colloidal atom clusters - A kinetic in situ study.

    Science.gov (United States)

    Jendrzej, Sandra; Gökce, Bilal; Amendola, Vincenzo; Barcikowski, Stephan

    2016-02-01

    Unintended post-synthesis growth of noble metal colloids caused by excess amounts of reactants or highly reactive atom clusters represents a fundamental problem in colloidal chemistry, affecting product stability or purity. Hence, quantified kinetics could allow defining nanoparticle size determination in dependence of the time. Here, we investigate in situ the growth kinetics of ps pulsed laser-fragmented platinum nanoparticles in presence of naked atom clusters in water without any influence of reducing agents or surfactants. The nanoparticle growth is investigated for platinum covering a time scale of minutes to 50days after nanoparticle generation, it is also supplemented by results obtained from gold and palladium. Since a minimum atom cluster concentration is exceeded, a significant growth is determined by time resolved UV/Vis spectroscopy, analytical disc centrifugation, zeta potential measurement and transmission electron microscopy. We suggest a decrease of atom cluster concentration over time, since nanoparticles grow at the expense of atom clusters. The growth mechanism during early phase (<1day) of laser-synthesized colloid is kinetically modeled by rapid barrierless coalescence. The prolonged slow nanoparticle growth is kinetically modeled by a combination of coalescence and Lifshitz-Slyozov-Wagner kinetic for Ostwald ripening, validated experimentally by the temperature dependence of Pt nanoparticle size and growth quenching by Iodide anions. Copyright © 2015. Published by Elsevier Inc.

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

    Science.gov (United States)

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

    2009-12-01

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

  4. Los Alamos Opacities: Transition from LEDCOP to ATOMIC

    International Nuclear Information System (INIS)

    Magee, N.H.; Abdallah, J.; Colgan, J.; Hakel, P.; Kilcrease, D.P.; Mazevet, S.; Sherrill, M.; Fontes, C.J.; Zhang, H.L.

    2004-01-01

    This paper discusses the development of the ATOMIC code, a new low to mid Z opacity code, which will replace the current Los Alamos low Z opacity code LEDCOP. The ATOMIC code is based on the FINE code, long used by the Los Alamos group for spectral comparisons in local thermodynamic equilibrium (LTE) and for non-LTE calculations, utilizing the extensive databases from the atomic physics suite of codes based on the work of R. D. Cowan. Many of the plasma physics packages in LEDCOP, such as line broadening and free-free absorption, are being transferred to the new ATOMIC code. A new equation of state (EOS) model is being developed to allow higher density calculations than were possible with either the FINE or LEDCOP codes. Extensive modernization for both ATOMIC and the atomic physics code suites, including conversion to Fortran 90 and parallelization, are under way to speed up the calculations and to allow the use of expanded databases for both the LTE opacity tables and the non-LTE calculations. Future plans will be outlined, including considerations for new generation opacity tables

  5. 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.)

  6. Energy-Transfer Kinetics for Xe (6p[1/2]0) Atoms in Kr, Ar, Ne, and He.

    Science.gov (United States)

    He, Shan; Liu, Dong; Li, Xueyang; Chu, Junzhi; Guo, Jingwei; Liu, Jinbo; Hu, Shu; Sang, Fengting; Jin, Yuqi

    2018-06-11

    The kinetic processes for the Xe (6p[1/2] 0 ) atoms in Kr, Ar, Ne, and He buffer gases were studied. We found that Kr, Ar, and Ne atoms can be used to switch the amplified spontaneous emission (ASE) channel from 3408 nm (6p[1/2] 0 -6s'[1/2] 1 ) to 3680 nm (5d[1/2] 1 -6p[1/2] 1 ), while Xe and He atoms do not show such a phenomenon. This ASE channel switch is mainly ascribed to the fast transfer of 6p[1/2] 0 → 5d[1/2] 1 . On the basis of the rate equations for two-state coupling (energy-transfer processes between the two states are very rapid), the reason why the ASE channel switch effect normally coincides with a double exponential decay of the spontaneous emission at 828 nm (6p[1/2] 0 -6s[3/2] 1 ) is explained. The actual situations in Xe, Ar, Ne, and He follow this rule. However, the strictly single exponential decay of the spontaneous emission at 828 nm and strong ASE channel switch effect simultaneously emerge in Kr. This indicates that the transfer of 6p[1/2] 0 → 5d[1/2] 1 in Kr does not occur via two-state coupling, but via two steps of near-resonance collision through the 5s[3/2] 2 (Kr) state as the intermediate state (6p[1/2] 0 → 5s[3/2] 2 (Kr) → 5d[1/2] 1 ). In addition, we found Xe (6p[1/2] 0 ) atoms strongly tend to reach the 6p[3/2] 2 , 6p[3/2] 1 , and 6p[5/2] 2 states through the 5s[3/2] 2 (Kr) state as the intermediate state in Kr. The 5s[3/2] 2 (Kr) state plays a very important role in the energy-transfer kinetics for the Xe (6p[1/2] 0 ) atoms. Kr is probably an excellent buffer gas for laser systems based on Xe.

  7. Laboratory Studies of Stratospheric Bromine Chemistry: Kinetics of the Reactions of Bromine Monoxide with Nitrogen Dioxide and Atomic Oxygen.

    Science.gov (United States)

    Thorn, Robert Peyton, Jr.

    A laser flash photolysis - long path absorption technique has been employed to study the kinetics of the reaction rm BrO + NO_2 + M{k _{16}atopto} products as a function of temperature (248-346 K), pressure (16 -800 Torr), and buffer gas identity (rm N _2,CF_4). 351 nm photolysis of rm NO_2/Br_2/N_2 mixtures generated BrO. The BrO decay in the presence of excess NO_2 was followed by UV absorption at 338.3 nm. The reaction is in the falloff regime between third and second order over the entire range of conditions investigated. This is the first study where temperature dependent measurements of k_{16} (P,T) have been reported at pressures greater than 12 Torr; hence, these results help constrain choices of k_{16}(P,T) for use in modeling stratospheric BrO_{rm x} chemistry. The kinetics of the important stratospheric reaction rm BrO+O(^3P)_sp{to }{k_{14}}Br+O_2 in N_2 buffer gas have been studied as a function of temperature (233-328 K) and pressure (25 -150 Torr) using a novel dual laser flash photolysis/long path absorption/resonance fluorescence technique. 248 nm pulsed laser photolysis of rm Br_2/O _3/N_2 mixtures produces O atoms in excess over Br_2. After a delay sufficient for BrO to be generated, a 532 nm laser pulse photolyses a small fraction of the O_3 to generate O(^3P). The decay of O(^3P) in the presence of an excess, known concentration of BrO, as determined by UV absorption at 338.3 nm and by numerical simulation, is then followed by time-resolved atomic resonance fluorescence spectroscopy. The experimental results have shown the reaction kinetics to be independent of pressure, to increase with decreasing temperature, and to be faster than suggested by the only previous (indirect) measurement. The resulting Anhenius expression for k_{14}(T) is given below.rm k_{14 }(T) = 1.64times 10^{-11} exp (263/T) cm^3 molecule ^{-1} s^{-1} The absolute accuracy of k_{14 }(T) at any temperature within the range studied is estimated to be +/-25%. Possible kinetic

  8. Kinetics and Mechanism of the Gas-Phase Reaction of Selected Carbonyls with Cl Atoms between 250 and 340 K

    Science.gov (United States)

    Hasson, A. S.; Algrim, L.; Abdelhamid, A.; Tyndall, G. S.; Orlando, J. J.

    2013-12-01

    Carbonyls are important products from the gas phase degradation of most volatile organic compounds. Their atmospheric reactions therefore have a significant impact on atmospheric composition, particularly in aged air masses. While the reactions of short-chain linear carbonyls are well understood, the chemistry of larger (> C6) and branched carbonyl is more uncertain. To provide insight into these reactions, the reactions of three carbonyls (methyl isopropyl ketone, MIK; di-isopropyl ketone, DIK; and diethyl ketone, DEK) with chlorine atoms were investigated between 250 and 340 K and 1 atm in the presence and absence of NOx and an HO2 source (methanol). Experiments were performed in a photochemical reactor using a combination of long-path Fourier transform infra-red spectroscopy, proton transfer reaction mass spectrometry and gas chromatography with flame ionization detection. The kinetics were studied using the relative rate technique with butanone and isopropanol as the reference compounds. The Arrhenius expression for the three rate coefficients was determined to be k(DEK+Cl) = 3.87 x 10-11e(2 × 7 kJ/mol)/RT cm3 molecules-1 s-1 , k(MIPK+Cl) = 7.20 x 10-11e(0.2× 8 kJ/mol)/RT cm3 molecules-1 s-1 , and k(DIPK+Cl) = 3.33 x 10-10e(-3× 8 kJ/mol)/RT cm3 molecules-1 s-1 . Measured reaction products accounted for 38-72 % of the reacted carbon and were consistent with strong deactivation of the carbon atom adjacent to the carbonyl group with respect to H-atom abstraction by Cl atoms. The product distributions also provide insight into radical recycling from the organic peroxy + HO2 reaction, and the relative rates of isomerization, fragmentation and reaction with O2 for carbonyl-containing alkoxy radicals. Implications of these results will be discussed.

  9. Spectroscopic and Kinetic Measurements of Alkali Atom-Rare Gas Excimers

    Science.gov (United States)

    2009-11-04

    vapors – Exciplex molecules absorb over much greater bandwidth • Control of inherent high optical gain to minimize ASE and optimize laser oscillation... Exciplex assisted diode Pumped Alkali Laser (XPAL) • Education of a future generation of laser scientists VG09-227-2 Physical Sciences Inc. Novel Approach...This new laser exploits the optical properties of weakly-bound alkali/rare-gas exciplexes for pumping the 2P1/2, 3/2 alkali atomic excited states 4

  10. From atoms to layers: in situ gold cluster growth kinetics during sputter deposition

    Science.gov (United States)

    Schwartzkopf, Matthias; Buffet, Adeline; Körstgens, Volker; Metwalli, Ezzeldin; Schlage, Kai; Benecke, Gunthard; Perlich, Jan; Rawolle, Monika; Rothkirch, André; Heidmann, Berit; Herzog, Gerd; Müller-Buschbaum, Peter; Röhlsberger, Ralf; Gehrke, Rainer; Stribeck, Norbert; Roth, Stephan V.

    2013-05-01

    The adjustment of size-dependent catalytic, electrical and optical properties of gold cluster assemblies is a very significant issue in modern applied nanotechnology. We present a real-time investigation of the growth kinetics of gold nanostructures from small nuclei to a complete gold layer during magnetron sputter deposition with high time resolution by means of in situ microbeam grazing incidence small-angle X-ray scattering (μGISAXS). We specify the four-stage growth including their thresholds with sub-monolayer resolution and identify phase transitions monitored in Yoneda intensity as a material-specific characteristic. An innovative and flexible geometrical model enables the extraction of morphological real space parameters, such as cluster size and shape, correlation distance, layer porosity and surface coverage, directly from reciprocal space scattering data. This approach enables a large variety of future investigations of the influence of different process parameters on the thin metal film morphology. Furthermore, our study allows for deducing the wetting behavior of gold cluster films on solid substrates and provides a better understanding of the growth kinetics in general, which is essential for optimization of manufacturing parameters, saving energy and resources.The adjustment of size-dependent catalytic, electrical and optical properties of gold cluster assemblies is a very significant issue in modern applied nanotechnology. We present a real-time investigation of the growth kinetics of gold nanostructures from small nuclei to a complete gold layer during magnetron sputter deposition with high time resolution by means of in situ microbeam grazing incidence small-angle X-ray scattering (μGISAXS). We specify the four-stage growth including their thresholds with sub-monolayer resolution and identify phase transitions monitored in Yoneda intensity as a material-specific characteristic. An innovative and flexible geometrical model enables the extraction

  11. The Validity of 21 cm Spin Temperature as a Kinetic Temperature Indicator in Atomic and Molecular Gas

    Energy Technology Data Exchange (ETDEWEB)

    Shaw, Gargi [Dept. of Physics, UM-DAE Centre for Excellence in Basic Sciences, University of Mumbai, Mumbai 400098 (India); Ferland, G. J. [Department of Physics and Astronomy, University of Kentucky, Lexington, KY 40506 (United States); Hubeny, I., E-mail: gargishaw@gmail.com, E-mail: gary@uky.edu, E-mail: hubeny@as.arizona.edu [Steward Observatory, University of Arizona, Tucson, AZ 85721 (United States)

    2017-07-10

    The gas kinetic temperature ( T {sub K} ) of various interstellar environments is often inferred from observations that can deduce level populations of atoms, ions, or molecules using spectral line observations; H i 21 cm is perhaps the most widely used, and has a long history. Usually the H i 21 cm line is assumed to be in thermal equilibrium and the populations are given by the Boltzmann distribution. A variety of processes, many involving Ly α , can affect the 21 cm line. Here we show how this is treated in the spectral simulation code Cloudy, and present numerical simulations of environments where this temperature indicator is used, with a detailed treatment of the physical processes that determine level populations within H{sup 0}. We discuss situations where this temperature indicator traces T {sub K}, cases where it fails, as well as the effects of Ly α pumping on the 21 cm spin temperature. We also show that the Ly α excitation temperature rarely traces the gas kinetic temperature.

  12. Ab initio and Atomic kinetic Monte Carlo modelling of segregation in concentrated FeCrNi alloys

    Science.gov (United States)

    Piochaud, J. B.; Becquart, C. S.; Domain, C.

    2014-06-01

    Internal structure of pressurised water reactors are made of austenitic materials. Under irradiation, the microstructure of these concentrated alloys evolves and solute segregation on grain boundaries or irradiation defects such as dislocation loops are observed to take place. In order to model and predict the microstructure evolution, a multiscale modelling approach needs to be developed, which starts at the atomic scale. Atomic Kinetic Monte Carlo (AKMC) modelling is the method we chose to provide an insight on defect mediated diffusion under irradiation. In that approach, we model the concentrated commercial steel as a FeCrNi alloy (γ-Fe70Cr20Ni10). As no reliable empirical potential exists at the moment to reproduce faithfully the phase diagram and the interactions of the elements and point defects, we have adjusted a pair interaction model on large amount of DFT calculations. The point defect properties in the Fe70Cr20Ni10, and more precisely, how their formation energy depends on the local environment will be presented and some AKMC results on thermal non equilibrium segregation and radiation induce segregation will be presented. The effect of Si on the segregation will also be discussed.

  13. Ab initio and atomic kinetic Monte Carlo modelling of segregation in concentrated FeCrNi alloys

    International Nuclear Information System (INIS)

    Piochaud, J.B.; Becquart, C.S.; Domain, C.

    2013-01-01

    Internal structure of pressurised water reactors are made of austenitic materials. Under irradiation, the microstructure of these concentrated alloys evolves and solute segregation on grain boundaries or irradiation defects such as dislocation loops are observed to take place. In order to model and predict the microstructure evolution, a multi-scale modelling approach needs to be developed, which starts at the atomic scale. Atomic Kinetic Monte Carlo (AKMC) modelling is the method we chose to provide an insight on defect mediated diffusion under irradiation. In that approach, we model the concentrated commercial steel as a FeCrNi alloy (γ-Fe 70 Cr 20 Ni 10 ). As no reliable empirical potential exists at the moment to reproduce faithfully the phase diagram and the interactions of the elements and point defects, we have adjusted a pair interaction model on large amount of DFT (Density Functional Theory) calculations. The point defect properties in the Fe 70 Cr 20 Ni 10 , and more precisely, how their formation energy depends on the local environment will be presented and some AKMC results on thermal non equilibrium segregation (TNES) and radiation induce segregation will be presented. The effect of Si on the segregation will also be discussed. Preliminary results show that it is the solute- grain boundaries interactions which drive TNES

  14. Collaborative Research: A Model of Partially Ionized Plasma Flows with Kinetic Treatment of Neutral Atoms and Nonthermal Ions

    International Nuclear Information System (INIS)

    Pogorelov, Nikolai; Zhang, Ming

    2016-01-01

    Interactions of flows of partially ionized, magnetized plasma are frequently accompanied by the presence of both thermal and non-thermal (pickup) ion components. Such interactions cannot be modeled using traditional MHD equations and require more advanced approaches to treat them. If a nonthermal component of ions is formed due to charge exchange and collisions between the thermal (core) ions and neutrals, it experiences the action of magnetic field, its distribution function is isotropized, and it soon acquires the velocity of the ambient plasma without being thermodynamically equilibrated. This situation, e. g., takes place in the outer heliosphere -- the part of interstellar space beyond the solar system whose properties are determined by the solar wind interaction with the local interstellar medium. This is also possible in laboratory, at million degrees and above, when plasma is conducting electricity far too well, which makes Ohmic heating ineffective. To attain the target temperatures one needs additional heating eventually playing a dominant role. Among such sources is a so-called neutral particle beam heating. This is a wide-spread technique (Joint European Torus and International Thermonuclear Experimental Reactor experiments) based on the injection of powerful beams of neutral atoms into ohmically preheated plasma. In this project we have investigated the energy and density separation between the thermal and nonthermal components in the solar wind and interstellar plasmas. A new model has been developed in which we solve the ideal MHD equations for mixture of all ions and the kinetic Boltzmann equation to describe the transport of neutral atoms. As a separate capability, we can treat the flow of neutral atoms in a multi-component fashion, where neutral atoms born in each thermodynamically distinct region are governed by the Euler gas dynamic equations. We also describe the behavior of pickup ions either kinetically, using the Fokker--Planck equation, or

  15. Collaborative Research: A Model of Partially Ionized Plasma Flows with Kinetic Treatment of Neutral Atoms and Nonthermal Ions

    Energy Technology Data Exchange (ETDEWEB)

    Pogorelov, Nikolai [Univ. of Alabama, Huntsville, AL (United States); Zhang, Ming [Florida Inst. of Technology, Melbourne, FL (United States)

    2016-07-31

    Interactions of flows of partially ionized, magnetized plasma are frequently accompanied by the presence of both thermal and non-thermal (pickup) ion components. Such interactions cannot be modeled using traditional MHD equations and require more advanced approaches to treat them. If a nonthermal component of ions is formed due to charge exchange and collisions between the thermal (core) ions and neutrals, it experiences the action of magnetic field, its distribution function is isotropized, and it soon acquires the velocity of the ambient plasma without being thermodynamically equilibrated. This situation, e. g., takes place in the outer heliosphere –- the part of interstellar space beyond the solar system whose properties are determined by the solar wind interaction with the local interstellar medium. This is also possible in laboratory, at million degrees and above, when plasma is conducting electricity far too well, which makes Ohmic heating ineffective. To attain the target temperatures one needs additional heating eventually playing a dominant role. Among such sources is a so-called neutral particle beam heating. This is a wide-spread technique (Joint European Torus and International Thermonuclear Experimental Reactor experiments) based on the injection of powerful beams of neutral atoms into ohmically preheated plasma. In this project we have investigated the energy and density separation between the thermal and nonthermal components in the solar wind and interstellar plasmas. A new model has been developed in which we solve the ideal MHD equations for mixture of all ions and the kinetic Boltzmann equation to describe the transport of neutral atoms. As a separate capability, we can treat the flow of neutral atoms in a multi-component fashion, where neutral atoms born in each thermodynamically distinct region are governed by the Euler gas dynamic equations. We also describe the behavior of pickup ions either kinetically, using the Fokker--Planck equation

  16. Collaborative Research: A Model of Partially Ionized Plasma Flows with Kinetic Treatment of Neutral Atoms and Nonthermal Ions

    Energy Technology Data Exchange (ETDEWEB)

    Pogorelov, Nikolai [Univ. of Alabama, Huntsville, AL (United States). Dept. of Space Science. Center for Space Plasma and; Zhang, Ming [Florida Inst. of Technology, Melbourne, FL (United States). Physics and Space Sciences Dept.; Borovikov, Sergey [Univ. of Alabama, Huntsville, AL (United States). Dept. of Space Science. Center for Space Plasma and Aeronomic Research; Heerikhuisen, Jacob [Univ. of Alabama, Huntsville, AL (United States). Dept. of Space Science. Center for Space Plasma and Aeronomic Research; Zank, Gary [Univ. of Alabama, Huntsville, AL (United States). Dept. of Space Science. Center for Space Plasma and Aeronomic Research; Gamayunov, Konstantin [Florida Inst. of Technology, Melbourne, FL (United States). Physics and Space Sciences Dept.; Colella, Phillip [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2016-07-31

    Interactions of flows of partially ionized, magnetized plasma are frequently accompanied by the presence of both thermal and non-thermal (pickup) ion components. Such interactions cannot be modeled using traditional MHD equations and require more advanced approaches to treat them. If a nonthermal component of ions is formed due to charge exchange and collisions between the thermal (core) ions and neutrals, it experiences the action of magnetic field, its distribution function is isotropized, and it soon acquires the velocity of the ambient plasma without being thermodynamically equilibrated. This situation, e. g., takes place in the outer heliosphere - the part of interstellar space beyond the solar system whose properties are determined by the solar wind interaction with the local interstellar medium. This is also possible in laboratory, at million degrees and above, when plasma is conducting electricity far too well, which makes Ohmic heating ineffective. To attain the target temperatures one needs additional heating eventually playing a dominant role. Among such sources is a so-called neutral particle beam heating. This is a wide-spread technique (Joint European Torus and International Thermonuclear Experimental Reactor experiments) based on the injection of powerful beams of neutral atoms into ohmically preheated plasma. In this project we have investigated the energy and density separation between the thermal and nonthermal components in the solar wind and interstellar plasmas. A new model has been developed in which we solve the ideal MHD equations for mixture of all ions and the kinetic Boltzmann equation to describe the transport of neutral atoms. As a separate capability, we can treat the flow of neutral atoms in a multi-component fashion, where neutral atoms born in each thermodynamically distinct regions are governed by the Euler gas dynamic equations. We also describe the behavior of pickup ions either kinetically, using the Fokker–Planck equation, or

  17. Kinetic theory of weakly ionized dilute gas of hydrogen-like atoms of the first principles of quantum statistics and dispersion laws of eigenwaves

    Science.gov (United States)

    Slyusarenko, Yurii V.; Sliusarenko, Oleksii Yu.

    2017-11-01

    We develop a microscopic approach to the construction of the kinetic theory of dilute weakly ionized gas of hydrogen-like atoms. The approach is based on the statements of the second quantization method in the presence of bound states of particles. The basis of the derivation of kinetic equations is the method of reduced description of relaxation processes. Within the framework of the proposed approach, a system of common kinetic equations for the Wigner distribution functions of free oppositely charged fermions of two kinds (electrons and cores) and their bound states—hydrogen-like atoms— is obtained. Kinetic equations are used to study the spectra of elementary excitations in the system when all its components are non-degenerate. It is shown that in such a system, in addition to the typical plasma waves, there are longitudinal waves of matter polarization and the transverse ones with a behavior characteristic of plasmon polaritons. The expressions for the dependence of the frequencies and Landau damping coefficients on the wave vector for all branches of the oscillations discovered are obtained. Numerical evaluation of the elementary perturbation parameters in the system on an example of a weakly ionized dilute gas of the 23Na atoms using the D2-line characteristics of the natrium atom is given. We note the possibility of using the results of the developed theory to describe the properties of a Bose condensate of photons in the diluted weakly ionized gas of hydrogen-like atoms.

  18. Theoretical study of the reaction kinetics of atomic bromine with tetrahydropyran

    KAUST Repository

    Giri, Binod

    2015-02-12

    A detailed theoretical analysis of the reaction of atomic bromine with tetrahydropyran (THP, C5H10O) was performed using several ab initio methods and statistical rate theory calculations. Initial geometries of all species involved in the potential energy surface of the title reaction were obtained at the B3LYP/cc-pVTZ level of theory. These molecular geometries were reoptimized using three different meta-generalized gradient approximation (meta-GGA) functionals. Single-point energies of the stationary points were obtained by employing the coupled-cluster with single and double excitations (CCSD) and fourth-order Møller-Plesset (MP4 SDQ) levels of theory. The computed CCSD and MP4(SDQ) energies for optimized structures at various DFT functionals were found to be consistent within 2 kJ mol-1. For a more accurate energetic description, single-point calculations at the CCSD(T)/CBS level of theory were performed for the minimum structures and transition states optimized at the B3LYP/cc-pVTZ level of theory. Similar to other ether + Br reactions, it was found that the tetrahydropyran + Br reaction proceeds in an overall endothermic addition-elimination mechanism via a number of intermediates. However, the reactivity of various ethers with atomic bromine was found to vary substantially. In contrast with the 1,4-dioxane + Br reaction, the chair form of the addition complex (c-C5H10O-Br) for THP + Br does not need to undergo ring inversion to form a boat conformer (b-C4H8O2-Br) before the intramolecular H-shift can occur to eventually release HBr. Instead, a direct, yet more favorable route was mapped out on the potential energy surface of the THP + Br reaction. The rate coefficients for all relevant steps involved in the reaction mechanism were computed using the energetics of coupled cluster calculations. On the basis of the results of the CCSD(T)/CBS//B3LYP/cc-pVTZ level of theory, the calculated overall rate coefficients can be expressed as kov.,calc.(T) = 4.60 × 10

  19. 4He adsorbed in cylindrical silica nanopores: Effect of size on the single-atom mean kinetic energy

    International Nuclear Information System (INIS)

    Andreani, C.; Senesi, R.; Pantalei, C.

    2007-01-01

    This paper reports a study of the short-time dynamics of helium confined in silica nanopores (xerogel powder), with average pore diameters of 24 and 160 A. The longitudinal momentum distribution of helium adsorbed in xerogels has been determined via deep inelastic neutron scattering (DINS) measurements performed on the VESUVIO spectrometer at the ISIS spallation source. DINS measurements, in the attosecond time scale (i.e., 10 -16 -10 -15 s), were performed at a temperature of T=2.5 K and saturated vapor pressure conditions, with 95% pore volume filling. The average wave-vector transfer q was about 130 A -1 . For confined helium, significant changes in the values of the single-particle mean kinetic energies K > are found in the bulk phase. These are 32.6±8.7 K for the 24 A and 24.4±5.3 K for the 160 A pore diameters, remarkably higher than K >=16.2±0.4 K, the value of normal liquid 4 He at T=2.5 K and saturated vapor pressure conditions. The results are interpreted in terms of a model where 4 He atoms are arranged in concentric annuli along the cylindrical pore axis, with K > mainly dependent on the ratio between the atomic 'effective' diameter and the pore diameter. The number of solid layers close to pore surface is found to be strongly pore-size dependent with one single solid layer for 24 A diameter pore and three solid layers for 160 A diameter pore

  20. A low temperature investigation of the gas-phase N(2D) + NO reaction. Towards a viable source of N(2D) atoms for kinetic studies in astrochemistry.

    Science.gov (United States)

    Nuñez-Reyes, Dianailys; Hickson, Kevin M

    2018-06-18

    The gas-phase reaction of metastable atomic nitrogen N(2D) with nitric oxide has been investigated over the 296-50 K temperature range using a supersonic flow reactor. As N(2D) could not be produced photolytically in the present work, these excited state atoms were generated instead through the C(3P) + NO → N(2D) + CO reaction while C(3P) atoms were created in situ by the 266 nm pulsed laser photolysis of CBr4 precursor molecules. The kinetics of N(2D) atoms were followed on-resonance by vacuum ultraviolet laser induced fluorescence at 116.7 nm. The measured rate constants for the N(2D) + NO reaction are in excellent agreement with most of the earlier work at room temperature and represent the only available kinetic data for this process below 296 K. The rate constants are seen to increase slightly as the temperature falls to 100 K with a more substantial increase at even lower temperature; a finding which is not reproduced by theoretical work. The prospects for using this chemical source of N(2D) atoms in future studies of a wide range of N(2D) atom reactions are discussed.

  1. Kinetics and Products of the Reactions of Fluorine Atoms with ClNO and Br2 from 295 to 950 K.

    Science.gov (United States)

    Bedjanian, Yuri

    2017-11-09

    The kinetics and products of the reactions of F atoms with Br 2 and ClNO have been studied in a flow reactor coupled with an electron impact ionization mass spectrometer at nearly 2 Torr total pressure of helium and over a wide temperature range, T = 295-950 K. The rate constant of the reaction F + ClNO → products (1) was determined under pseudo-first order conditions, monitoring the kinetics of F atom consumption in excess of ClNO. The measured temperature independent rate constant, k 1 = (1.29 ± 0.13) × 10 -10 cm 3 molecule -1 s -1 (T = 299-950 K), was found to be in excellent agreement with the only previous low temperature study which allowed to recommend the value of k 1 in an extended temperature range, 228-950 K. FCl and Cl atoms were observed as the reactions products (corresponding to two reaction pathways: Cl-atom abstraction and replacement with fluorine atom, respectively) with the independent of temperature, in the range 295-948 K, yields of 0.68 ± 0.10 and 0.32 ± 0.05, respectively. Rate constant of the reaction F + Br 2 (2), k 2 = (1.28 ± 0.20) × 10 -10 cm 3 molecule -1 s -1 , determined using both absolute and relative rate methods, was found to be independent of temperature at T = 299-940 K.

  2. Retrieval of Kinetic Temperature and Carbon Dioxide Abundance from Non-Local Thermodynamic Equilibrium Limb Emission Measurements made by the SABER Experiment on the TIMED Satellite

    Science.gov (United States)

    Mertens, Christopher J.; Mlynczak, Martin G.; Lopez-Puertas, Manuel; Wintersteiner, Peter P.; Picard, Richard H.; Winick, Jeremy R.; Gordley, Larry L.; Russell, James M., III

    2002-01-01

    The Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) experiment was launched onboard the TIMED satellite in December, 2001. SABER is designed to provide measurements of the key radiative and chemical sources and sinks of energy in the mesosphere and lower thermosphere (MLT). SABER measures Earth limb emission in 10 broadband radiometer channels ranging from 1.27 micrometers to 17 micrometers. Measurements are made both day and night over the latitude range from 54 deg. S to 87 deg. N with alternating hemisphere coverage every 60 days. In this paper we concentrate on retrieved profiles of kinetic temperature (T(sub k)) and CO2 volume mixing ratio (vmr), inferred from SABER-observed 15 micrometer and 4.3 micrometer limb emissions, respectively. SABER-measured limb radiances are in non-local thermodynamic equilibrium (non-LTE) in the MLT region. The complexity of non-LTE radiation transfer combined with the large volume of data measured by SABER requires new retrieval approaches and radiative transfer techniques to accurately and efficiently retrieve the data products. In this paper we present the salient features of the coupled non-LTE T(sub k)/CO2 retrieval algorithm, along with preliminary results.

  3. Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

    International Nuclear Information System (INIS)

    Sherrill, M.E.; Abdallah, J. Jr.; Csanak, G.; Kilcrease, D.P.; Dodd, E.S.; Fukuda, Y.; Akahane, Y.; Aoyama, M.; Inoue, N.; Ueda, H.; Yamakawa, K.; Faenov, A.Ya.; Magunov, A.I.; Pikuz, T.A.; Skobelev, I.Yu.

    2006-01-01

    In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He α spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model

  4. Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Sherrill, M.E. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States)]. E-mail: manolo@t4.lanl.gov; Abdallah, J. Jr. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Csanak, G. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Kilcrease, D.P. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Dodd, E.S. [Los Alamos National Laboratory, X-1, Los Alamos, NM 87545 (United States); Fukuda, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Akahane, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Aoyama, M. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Inoue, N. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Ueda, H. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Yamakawa, K. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Faenov, A.Ya. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Magunov, A.I. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Pikuz, T.A. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Skobelev, I.Yu. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation)

    2006-05-15

    In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He{sub {alpha}} spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model.

  5. Atmospheric chemistry of trans-CF3CH=CHCl: Kinetics of the gas-phase reactions with Cl atoms, OH radicals, and O3

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbaek; Nilsson, Elna Johanna Kristina; Nielsen, Ole John

    2008-01-01

    Long path length Fourier transform infrared (FTIR)–smog chamber techniques were used to study the kinetics of the gas-phase reactions of Cl atoms, OH radicals and O3 with trans-3,3,3-trifluoro-1-chloropropene, t-CF3CH CHCl, in 700 Torr total pressure at 295±2K. Values of k(Cl + t-CF3CH CHCl) = (5...

  6. Cold Incineration of Chlorophenols in Aqueous Solution by Advanced Electrochemical Process Electro-Fenton. Effect of Number and Position of Chlorine Atoms on the Degradation Kinetics

    Science.gov (United States)

    Oturan, Nihal; Panizza, Marco; Oturan, Mehmet A.

    2009-09-01

    This study reports the kinetics of the degradation of several chlorophenols (CPs), such as monochlorophenols (2-chlorophenol and 4-chlorophenol), dichlorophenols (2,4-dichlorophenol and 2,6- dichlorophenol), trichlorophenols (2,3,5- trichlorophenol and 2,4,5-trichlorophenol), 2,3,5,6-tetrachlorophenol, and pentachlorophenol, by the electro-Fenton process using a carbon felt cathode and a Pt anode. The effect of number and the position of the chlorine atoms in the aromatic ring on the oxidative degradation rate was evaluated and discussed. The oxidation reaction of all the CPs with hydroxyl radicals evidenced a pseudo-first-order kinetics and the rate constant decreased with increasing the number of chlorine atoms. The absolute rate constant of second-order reaction kinetics between CPs and •OH was determined by the competition kinetics method in the range of (3.56-7.75) × 109 M-1 s-1 and follows the same sequence of the apparent rate constants. The mineralization of several CPs and of a mixture of all CPs under study was monitored by the total organic carbon (TOC) removal and the chlorine release during mineralization was followed by ion chromatography. Our results demonstrated that more chlorinated phenols are more difficult to mineralize; however for all the tested CPs, almost quantitative release of chloride ions was obtained after 6 h of treatment.

  7. Theoretical Kinetics Analysis for Ḣ Atom Addition to 1,3-Butadiene and Related Reactions on the Ċ4H7 Potential Energy Surface.

    Science.gov (United States)

    Li, Yang; Klippenstein, Stephen J; Zhou, Chong-Wen; Curran, Henry J

    2017-10-12

    The oxidation chemistry of the simplest conjugated hydrocarbon, 1,3-butadiene, can provide a first step in understanding the role of polyunsaturated hydrocarbons in combustion and, in particular, an understanding of their contribution toward soot formation. On the basis of our previous work on propene and the butene isomers (1-, 2-, and isobutene), it was found that the reaction kinetics of Ḣ-atom addition to the C═C double bond plays a significant role in fuel consumption kinetics and influences the predictions of high-temperature ignition delay times, product species concentrations, and flame speed measurements. In this study, the rate constants and thermodynamic properties for Ḣ-atom addition to 1,3-butadiene and related reactions on the Ċ 4 H 7 potential energy surface have been calculated using two different series of quantum chemical methods and two different kinetic codes. Excellent agreement is obtained between the two different kinetics codes. The calculated results including zero-point energies, single-point energies, rate constants, barrier heights, and thermochemistry are systematically compared among the two quantum chemical methods. 1-Methylallyl (Ċ 4 H 7 1-3) and 3-buten-1-yl (Ċ 4 H 7 1-4) radicals and C 2 H 4 + Ċ 2 H 3 are found to be the most important channels and reactivity-promoting products, respectively. We calculated that terminal addition is dominant (>80%) compared to internal Ḣ-atom addition at all temperatures in the range 298-2000 K. However, this dominance decreases with increasing temperature. The calculated rate constants for the bimolecular reaction C 4 H 6 + Ḣ → products and C 2 H 4 + Ċ 2 H 3 → products are in excellent agreement with both experimental and theoretical results from the literature. For selected C 4 species, the calculated thermochemical values are also in good agreement with literature data. In addition, the rate constants for H atom abstraction by Ḣ atoms have also been calculated, and it is

  8. 248-NM Laser Photolysis of CHBr3/O-Atom Mixtures: Kinetic Evidence for UV CO(A)-Chemiluminescence in the Reaction of Methylidyne Radicals With Atomic Oxygen

    National Research Council Canada - National Science Library

    Vaghjiani, Ghanshyam L

    2005-01-01

    4TH Positive and Cameron band emissions from electronically excited CO have been observed for the first time in 248-nm pulsed laser photolysis of a trace amount of CHBr3 vapor in an excess of O-atoms...

  9. Kinetics of the reaction of F atoms with O2 and UV spectrum of FO2 radicals in the gas phase at 295 K

    DEFF Research Database (Denmark)

    Ellermann, T.; Sehested, J.; Nielsen, O.J.

    1994-01-01

    The ultraviolet absorption spectrum of FO2 radicals and the kinetics of the reaction of F atoms with O2 have been studied in the gas phase at 295 K using pulse radiolysis combined with kinetic UV spectroscopy. At 230 nm, sigma(FO2) = (5.08 +/- 0.70) X 10(-18) cm2 molecule-1. The kinetics of the r......The ultraviolet absorption spectrum of FO2 radicals and the kinetics of the reaction of F atoms with O2 have been studied in the gas phase at 295 K using pulse radiolysis combined with kinetic UV spectroscopy. At 230 nm, sigma(FO2) = (5.08 +/- 0.70) X 10(-18) cm2 molecule-1. The kinetics...

  10. Temperature-dependent kinetics of charge transfer, hydrogen-atom transfer, and hydrogen-atom expulsion in the reaction of CO+ with CH4 and CD4.

    Science.gov (United States)

    Melko, Joshua J; Ard, Shaun G; Johnson, Ryan S; Shuman, Nicholas S; Guo, Hua; Viggiano, Albert A

    2014-09-18

    We have determined the rate constants and branching ratios for the reactions of CO(+) with CH4 and CD4 in a variable-temperature selected ion flow tube. We find that the rate constants are collisional for all temperatures measured (193-700 K for CH4 and 193-500 K for CD4). For the CH4 reaction, three product channels are identified, which include charge transfer (CH4(+) + CO), H-atom transfer (HCO(+) + CH3), and H-atom expulsion (CH3CO(+) + H). H-atom transfer is slightly preferred to charge transfer at low temperature, with the charge-transfer product increasing in contribution as the temperature is increased (H-atom expulsion is a minor product for all temperatures). Analogous products are identified for the CD4 reaction. Density functional calculations on the CO(+) + CH4 reaction were also conducted, revealing that the relative temperature dependences of the charge-transfer and H-atom transfer pathways are consistent with an initial charge transfer followed by proton transfer.

  11. Atomic kinetic Monte Carlo model based on ab initio data: Simulation of microstructural evolution under irradiation of dilute Fe-CuNiMnSi alloys

    International Nuclear Information System (INIS)

    Vincent, E.; Becquart, C.S.; Domain, C.

    2007-01-01

    The embrittlement of pressure vessel steels under radiation has been long ago correlated with the presence of Cu solutes. Other solutes such as Ni, Mn and Si are now suspected to contribute also to the embrittlement. The interactions of these solutes with radiation induced point defects thus need to be characterized properly in order to understand the elementary mechanisms behind the formation of the clusters formed upon radiation. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects with solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si) in order to build a database used to parameterise an atomic kinetic Monte Carlo model. Some results of irradiation damage in dilute Fe-CuNiMnSi alloys obtained with this model are presented

  12. Atomic kinetic Monte Carlo model based on ab initio data: Simulation of microstructural evolution under irradiation of dilute Fe CuNiMnSi alloys

    Science.gov (United States)

    Vincent, E.; Becquart, C. S.; Domain, C.

    2007-02-01

    The embrittlement of pressure vessel steels under radiation has been long ago correlated with the presence of Cu solutes. Other solutes such as Ni, Mn and Si are now suspected to contribute also to the embrittlement. The interactions of these solutes with radiation induced point defects thus need to be characterized properly in order to understand the elementary mechanisms behind the formation of the clusters formed upon radiation. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects with solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si) in order to build a database used to parameterise an atomic kinetic Monte Carlo model. Some results of irradiation damage in dilute Fe-CuNiMnSi alloys obtained with this model are presented.

  13. Study of Pair and many-body interactions in rare-gas halide atom clusters using negative ion zero electron kinetic energy (ZEKE) and threshold photodetachment spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yourshaw, Ivan [Univ. of California, Berkeley, CA (United States)

    1998-07-09

    The diatomic halogen atom-rare gas diatomic complexes KrBr-, XeBr-, and KrCl- are studied in this work by zero electron kinetic energy (ZEKE) spectroscopy in order to characterize the weak intermolecular diatomic potentials of these species. Also, the ZEKE and threshold photodetachment spectra of the polyatomic clusters ArnBr- (n = 2-9) and ArnI- (n = 2-19) are studied to obtain information about the non-additive effects on the interactions among the atoms. This work is part of an ongoing effort to characterize the pair and many-body potentials of the complete series of rare gas halide clusters. In these studies we obtain information about both the anionic and neutral clusters.

  14. Kinetics of the processes, plasma parameters, and output characteristics of a UV emitter operating on XeI molecules and iodine molecules and atoms

    Energy Technology Data Exchange (ETDEWEB)

    Shuaibov, A. K.; Grabovaya, I. A.; Minya, A. I.; Homoki, Z. T. [Uzhgorod National University (Ukraine); Kalyuzhnaya, A. G.; Shchedrin, A. I. [National Academy of Sciences of Ukraine, Institute of Physics (Ukraine)

    2011-03-15

    A kinetic model of the processes occurring in the plasma of a high-power low-pressure gas-discharge lamp is presented, and the output characteristics of the lamp are described. The lamp is excited by a longitudinal glow discharge and emits the I{sub 2}(D Prime -A Prime ) 342-nm and XeI(B-X) 253-nm bands and the 206.2-nm spectral line of atomic iodine. When the emitter operates in a sealed-off mode on the p(He): p(Xe): p(I{sub 2}) = 400: 120: (100-200) Pa mixture, the fractions of the UV radiation power of iodine atoms, exciplex molecules of xenon iodide, and iodine molecules comprise 55, 10, and 35%, respectively. At the optimal partial pressure, the maximum total radiation power of the lamp reaches 37 W, the energy efficiency being about 15%.

  15. Atomic physics

    CERN Document Server

    Born, Max

    1969-01-01

    The Nobel Laureate's brilliant exposition of the kinetic theory of gases, elementary particles, the nuclear atom, wave-corpuscles, atomic structure and spectral lines, electron spin and Pauli's principle, quantum statistics, molecular structure and nuclear physics. Over 40 appendices, a bibliography, numerous figures and graphs.

  16. Characterization, non-isothermal decomposition kinetics and photocatalytic water splitting of green chemically synthesized polyoxoanions of molybdenum containing phosphorus as hetero atom

    International Nuclear Information System (INIS)

    D’Cruz, Bessy; Samuel, Jadu; George, Leena

    2014-01-01

    Highlights: • CPM nanorods were synthesized by applying the principles of green chemistry. • The isoconversional method was used to analyze the effective activation energy. • The appropriate reaction models of the two decomposition stages were determined. • Photocatalytic water splitting was investigated in the presence of platinum co-catalyst. - Abstract: In here, the green synthesis and thermal characterization of a novel polyoxoanions of molybdenum containing phosphorus as hetero atom are reported. The composition and morphology of the nanorods were established by fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by non-isothermal analysis under nitrogen atmosphere. The values activation energy of each stage of thermal decomposition for all heating rates was calculated by Flynn–Wall–Ozawa (FWO) and Kissinger–Akahira–Sunnose (KAS) methods. Invariant kinetic parameter (IKP) method and master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of cetylpyridinium phosphomolybdate (CPM). Photocatalytic water oxidation mechanism using CPM catalyst in the presence of platinum (Pt) co-catalyst enhances the H 2 evolution and was found to be 1.514 mmol/g/h

  17. Characterization, non-isothermal decomposition kinetics and photocatalytic water splitting of green chemically synthesized polyoxoanions of molybdenum containing phosphorus as hetero atom

    Energy Technology Data Exchange (ETDEWEB)

    D’Cruz, Bessy [Department of Chemistry, Mar Ivanios College, Thiruvananthapuram 695015 (India); Samuel, Jadu, E-mail: jadu_samuel@yahoo.co.in [Department of Chemistry, Mar Ivanios College, Thiruvananthapuram 695015 (India); George, Leena [Catalysis and Inorganic Chemistry Division, National Chemical Laboratory, Pune 411008 (India)

    2014-11-20

    Highlights: • CPM nanorods were synthesized by applying the principles of green chemistry. • The isoconversional method was used to analyze the effective activation energy. • The appropriate reaction models of the two decomposition stages were determined. • Photocatalytic water splitting was investigated in the presence of platinum co-catalyst. - Abstract: In here, the green synthesis and thermal characterization of a novel polyoxoanions of molybdenum containing phosphorus as hetero atom are reported. The composition and morphology of the nanorods were established by fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by non-isothermal analysis under nitrogen atmosphere. The values activation energy of each stage of thermal decomposition for all heating rates was calculated by Flynn–Wall–Ozawa (FWO) and Kissinger–Akahira–Sunnose (KAS) methods. Invariant kinetic parameter (IKP) method and master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of cetylpyridinium phosphomolybdate (CPM). Photocatalytic water oxidation mechanism using CPM catalyst in the presence of platinum (Pt) co-catalyst enhances the H{sub 2} evolution and was found to be 1.514 mmol/g/h.

  18. Ab-initio modeling of an iron laser-induced plasma: Comparison between theoretical and experimental atomic emission spectra

    International Nuclear Information System (INIS)

    Colgan, J.; Judge, E.J.; Kilcrease, D.P.; Barefield, J.E.

    2014-01-01

    We report on efforts to model the Fe emission spectrum generated from laser-induced breakdown spectroscopy (LIBS) measurements on samples of pure iron oxide (Fe 2 O 3 ). Our modeling efforts consist of several components. We begin with ab-initio atomic structure calculations performed by solving the Hartree–Fock equations for the neutral and singly ionized stages of Fe. Our energy levels are then adjusted to their experimentally known values. The atomic transition probabilities and atomic collision quantities are also computed in an ab-initio manner. We perform LTE or non-LTE calculations that generate level populations and, subsequently, an emission spectrum for the iron plasma for a range of electron temperatures and electron densities. Such calculations are then compared to the experimental spectrum. We regard our work as a preliminary modeling effort that ultimately strives towards the modeling of emission spectra from even more complex samples where less atomic data are available. - Highlights: • LIBS plasma of iron oxide • Ab-initio theoretical Modeling • Discussion of LTE versus non-LTE criteria and assessment • Boltzmann plots for Fe—determination of when LTE is a valid assumption • Emission spectra for Fe—comparison of theoretical modeling and measurement: good agreement obtained

  19. Hydrothermal Atomic Force Microscopy Investigation of Barite Growth: Role of Spectator Ions in Elementary Step Edge Growth Kinetics and Hillock Morphology [Supporting Information Only

    Energy Technology Data Exchange (ETDEWEB)

    Jindra, Sarah A. [Wright State Univ., Dayton, OH (United States); Bertagni, Angela L. [Wright State Univ., Dayton, OH (United States); Bracco, Jacquelyn N. [Wright State Univ., Dayton, OH (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Higgins, Steven R. [Wright State Univ., Dayton, OH (United States)

    2017-09-25

    Here, to better understand the role of spectator ions in barite growth, the kinetics of step edge growth on barite (001) surfaces were studied under various salt solutions. Hydrothermal atomic force microscopy (HAFM) was used to investigate the effect of background electrolytes (NaCl, NaBr, and NaNO3) as a function of saturation index and ionic strength (I) on barite growth sourced at dislocations at 108 °C. Results demonstrate that hillock morphology is affected by I, as well as type of anion, where the prevalence of steps aligned on the [010] direction is highest under Cl. There is a modest increase in kinetic coefficient of 55–130% with a 10-fold increase in I for each salt. In comparing the kinetic coefficients of the salts at low ionic strength (0.01 M), there is a moderate difference, suggesting that the anion may play a role in barium attachment.

  20. Transition-state analysis of a Vmax mutant of AMP nucleosidase by the application of heavy-atom kinetic isotope effects

    International Nuclear Information System (INIS)

    Parkin, D.W.; Mentch, F.; Banks, G.A.; Horenstein, B.A.; Schramm, V.L.

    1991-01-01

    The transition state of the V max mutant of AMP nucleosidase from Azotobacter vinelandii has been characterized by heavy-atom kinetic isotope effects in the presence and absence of MgATP, the allosteric activator. The enzyme catalyzes hydrolysis of the N-glycosidic bond of AMP at approximately 2% of the rate of the normal enzyme with only minor changes in the K m for substrate, the activation constant for MgATP, and the K i for formycin 5'-phosphate, a tight-binding competitive inhibitor. Isotope effects were measured as a function of the allosteric activator concentration that increases the turnover number of the enzyme from 0.006 s -1 . The kinetic isotope effects were measured with the substrates [1'- 3 H]AMP, [2'- 2 H]AMP, [9- 15 N]AMP, and [1',9- 14 C, 15 N]AMP. All substrates gave significant kinetic isotope effects in a pattern that establishes that the reaction expresses intrinsic kinetic isotope effects in the presence or absence of MgATP. Transition-state analysis using bond-energy and bond-order vibrational analysis indicated that the transition state for the mutant enzyme has a similar position in the reaction coordinate compared to that for the normal enzyme. The mutant enzyme is less effective in stabilizing the carbocation-like intermediate and in the ability to protonate N7 of adenine to create a better leaving group. This altered transition-state structure was confirmed by an altered substrate specificity for the mutant protein

  1. Angular distributions of low kinetic energy photoelectrons in one- and two-photon ionisation of rare gas atoms

    International Nuclear Information System (INIS)

    O'Keeffe, P; Bolognesi, P; Avaldi, L; Richter, R; Moise, A; Cleva, P De; Mihelic, A

    2012-01-01

    The angular distributions of electrons emitted in the photoionisation of rare gas atoms using one and two photons are presented. The one-photon results show that these differential measurements can provide complementary information on the photoionisation event with respect to the measurement of the total absorption cross section while the two photon ionization allows additional parameters to be extracted from the experiments thus permitting a more complete description of the photoionisation dynamics.

  2. Kinetic of the gas-phase reactions of OH radicals and Cl atoms with Diethyl Ethylphosphonate and Triethyl Phosphate

    KAUST Repository

    Laversin, H.

    2015-11-30

    In this paper, the relative-rate technique has been used to obtain rate coefficients for the reaction of two organophosphorus compounds: Triethyl phosphate (TEP) and Diethyl ethylphosphonate (DEEP) with OH radicals and Cl atoms at atmospheric pressure and at different temperatures. The calculated rate constants were fitted to the Arrhenius expression over the temperature range 298 – 352 K. The following expressions (in cm3molecule-1s-1) were obtained for the reactions of OH and CL with DEEP and TEP: kOH+DEEP= (7.84±0.65)x10-14exp((1866±824)/T), kOH+TEP = (6.54±0.42)x10-14exp((1897±626)/T), kCl+DEEP = (5.27± 0.80)x10−11exp(765±140/T) and kCl+TEP = (5.23± 0.80)x10−11exp(736± 110/T). These results show that the reaction of the studied compounds with Cl atoms proceeds more rapidly than that with OH radicals. The related tropospheric lifetimes suggest that once emitted into the atmosphere, TEP and DEEP can be removed within a few hours in areas close to their emission sources. TEP and DEEP are principally removed by OH radicals. However, in coastal areas where the Cl atoms’ concentration is higher, TEP and DEEP removal by reaction with Cl atoms could be a competitive process.

  3. Fourier Transform Infrared (FTIR) Spectroscopy, Ultraviolet Resonance Raman (UVRR) Spectroscopy, and Atomic Force Microscopy (AFM) for Study of the Kinetics of Formation and Structural Characterization of Tau Fibrils.

    Science.gov (United States)

    Ramachandran, Gayathri

    2017-01-01

    Kinetic studies of tau fibril formation in vitro most commonly employ spectroscopic probes such as thioflavinT fluorescence and laser light scattering or negative stain transmission electron microscopy. Here, I describe the use of Fourier transform infrared (FTIR) spectroscopy, ultraviolet resonance Raman (UVRR) spectroscopy, and atomic force microscopy (AFM) as complementary probes for studies of tau aggregation. The sensitivity of vibrational spectroscopic techniques (FTIR and UVRR) to secondary structure content allows for measurement of conformational changes that occur when the intrinsically disordered protein tau transforms into cross-β-core containing fibrils. AFM imaging serves as a gentle probe of structures populated over the time course of tau fibrillization. Together, these assays help further elucidate the structural and mechanistic complexity inherent in tau fibril formation.

  4. An improved ultrafast 2D NMR experiment: Towards atom-resolved real-time studies of protein kinetics at multi-Hz rates

    International Nuclear Information System (INIS)

    Gal, Maayan; Kern, Thomas; Schanda, Paul; Frydman, Lucio; Brutscher, Bernhard

    2009-01-01

    Multidimensional NMR spectroscopy is a well-established technique for the characterization of structure and fast-time-scale dynamics of highly populated ground states of biological macromolecules. The investigation of short-lived excited states that are important for molecular folding, misfolding and function, however, remains a challenge for modern biomolecular NMR techniques. Off-equilibrium real-time kinetic NMR methods allow direct observation of conformational or chemical changes by following peak positions and intensities in a series of spectra recorded during a kinetic event. Because standard multidimensional NMR methods required to yield sufficient atom-resolution are intrinsically time-consuming, many interesting phenomena are excluded from real-time NMR analysis. Recently, spatially encoded ultrafast 2D NMR techniques have been proposed that allow one to acquire a 2D NMR experiment within a single transient. In addition, when combined with the SOFAST technique, such ultrafast experiments can be repeated at high rates. One of the problems detected for such ultrafast protein NMR experiments is related to the heteronuclear decoupling during detection with interferences between the pulses and the oscillatory magnetic field gradients arising in this scheme. Here we present a method for improved ultrafast data acquisition yielding higher signal to noise and sharper lines in single-scan 2D NMR spectra. In combination with a fast-mixing device, the recording of 1 H- 15 N correlation spectra with repetition rates of up to a few Hertz becomes feasible, enabling real-time studies of protein kinetics occurring on time scales down to a few seconds

  5. Multidimensional radiative transfer with multilevel atoms. II. The non-linear multigrid method.

    Science.gov (United States)

    Fabiani Bendicho, P.; Trujillo Bueno, J.; Auer, L.

    1997-08-01

    A new iterative method for solving non-LTE multilevel radiative transfer (RT) problems in 1D, 2D or 3D geometries is presented. The scheme obtains the self-consistent solution of the kinetic and RT equations at the cost of only a few (iteration (Brandt, 1977, Math. Comp. 31, 333; Hackbush, 1985, Multi-Grid Methods and Applications, springer-Verlag, Berlin), an efficient multilevel RT scheme based on Gauss-Seidel iterations (cf. Trujillo Bueno & Fabiani Bendicho, 1995ApJ...455..646T), and accurate short-characteristics formal solution techniques. By combining a valid stopping criterion with a nested-grid strategy a converged solution with the desired true error is automatically guaranteed. Contrary to the current operator splitting methods the very high convergence speed of the new RT method does not deteriorate when the grid spatial resolution is increased. With this non-linear multigrid method non-LTE problems discretized on N grid points are solved in O(N) operations. The nested multigrid RT method presented here is, thus, particularly attractive in complicated multilevel transfer problems where small grid-sizes are required. The properties of the method are analyzed both analytically and with illustrative multilevel calculations for Ca II in 1D and 2D schematic model atmospheres.

  6. Using muonium to probe the kinetics of the reaction between the H atom and OH"- in superheated water

    International Nuclear Information System (INIS)

    Ghandi, K.; Alcorn, C.; Brodovitch, J.-C.; Driedger, E.; Mozafari, M.; Percival, P.W.

    2011-01-01

    Operation of a supercritical-water-cooled nuclear reactor requires knowledge of water chemistry over a wide range of conditions. The considerable knowledge gap for conditions above the operating temperature of current-generation CANDU reactors is the target of this study. Since the H atom is difficult to probe at the desired temperatures and pressures, muonium is used as an alternative. In the current CANDU reactors, coolant pH is controlled using LiOH. We are studying how the rate constants for the reaction of muonium with LiOH and NaOH change with temperature and pressure. (author)

  7. Using muonium to probe the kinetics of the reaction between the H atom and OH{sup -} in superheated water

    Energy Technology Data Exchange (ETDEWEB)

    Ghandi, K.; Alcorn, C. [Mount Allison Univ., Sackville, NB (Canada); Brodovitch, J.-C. [Simon Fraser Univ., Burnaby, BC (Canada); Driedger, E. [Mount Allison Univ., Sackville, NB (Canada); Mozafari, M. [Simon Fraser Univ., Burnaby, BC (Canada); Percival, P.W. [Simon Fraser Univ., Burnaby, BC (Canada); TRIUMF, Vancouver, BC (Canada)

    2011-07-01

    Operation of a supercritical-water-cooled nuclear reactor requires knowledge of water chemistry over a wide range of conditions. The considerable knowledge gap for conditions above the operating temperature of current-generation CANDU reactors is the target of this study. Since the H atom is difficult to probe at the desired temperatures and pressures, muonium is used as an alternative. In the current CANDU reactors, coolant pH is controlled using LiOH. We are studying how the rate constants for the reaction of muonium with LiOH and NaOH change with temperature and pressure. (author)

  8. Connection between kinetic phenomena and atomic ordering processes and electronic structure of Ni3(FeMe)-type alloys

    International Nuclear Information System (INIS)

    Vasil'eva, R.P.; Arkhipov, Yu.N.; Narkulov, N.; Fadin, V.P.

    1978-01-01

    The results are presented of the measurements of the Hall and the Nernst-Ettingshausen effect and of thermal emf, electric resistivity and magnetization measurements in alloys Ni 3 (FeMe), where Me is Mo, Cr, W. The concentration of additions is not higher than 12.5%. The relationship of the kinetic phenomena with peculiarities of the electron structure and ordering processes is investigated. The obtained data show that the Hall and Nernst-Ettingshausen electromotive forces in the investigated alloys have positive values. The effects of the concentration variations of the investigated phenomena manifest themselves stronger in ordered state, this testifyies to a considerable increase of the part, the hole sections of the Fermi surface play. The investigation enables some conclusions to be made on the energy characteristics of these alloys as a function of the variation of the concentration composition of the alloys and the ordering processes

  9. Simulation of the microstructural evolution under irradiation of dilute Fe-CuNiMnSi alloys by atomic kinetic monte Carlo model based on ab initio data

    International Nuclear Information System (INIS)

    Vincent, E.; Domain, C.; Vincent, E.; Becquart, C.S.

    2008-01-01

    Full text of publication follows. The embrittlement and the hardening of pressure vessel steels under radiation has been correlated with the presence solutes such as Cu, Ni, Mn and Si. Indeed it has been observed that under irradiation, these solutes tend to gather to form more or less dilute clusters. The interactions of these solutes with radiation induced point defects thus need to be characterised properly in order to understand the elementary mechanisms behind the formation of these clusters. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects (vacancies as well as interstitials) with solute atoms in dilute FeX alloys (X Cu, Mn, Ni or Si) in order to build a database used to parameterize an atomic kinetic Monte Carlo model. The model has been applied to simulate thermal ageing as well as irradiation conditions in dilute Fe-CuNiMnSi alloys. Results obtained with this model will be presented. (authors)

  10. Hydrogen Atom Collision Processes in Cool Stellar Atmospheres: Effects on Spectral Line Strengths and Measured Chemical Abundances in Old Stars

    International Nuclear Information System (INIS)

    Barklem, Paul S

    2012-01-01

    The precise measurement of the chemical composition of stars is a fundamental problem relevant to many areas of astrophysics. State-of-the-art approaches attempt to unite accurate descriptions of microphysics, non-local thermodynamic equilibrium (non-LTE) line formation and 3D hydrodynamical model atmospheres. In this paper I review progress in understanding inelastic collisions of hydrogen atoms with other species and their influence on spectral line formation and derived abundances in stellar atmospheres. These collisions are a major source of uncertainty in non-LTE modelling of spectral lines and abundance determinations, especially for old, metal-poor stars, which are unique tracers of the early evolution of our galaxy. Full quantum scattering calculations of direct excitation processes X(nl) + H ↔ X(n'l') + H and charge transfer processes X(nl) + H ↔ X + + H − have been done for Li, Na and Mg [1,2,3] based on detailed quantum chemical data, e.g. [4]. Rate coefficients have been calculated and applied to non-LTE modelling of spectral lines in stellar atmospheres [5,6,7,8,9]. In all cases we find that charge transfer processes from the first excited S-state are very important, and the processes affect measured abundances for Li, Na and Mg in some stars by as much as 60%. Effects vary with stellar parameters (e.g. temperature, luminosity, metal content) and so these processes are important not only for accurate absolute abundances, but also for relative abundances among dissimilar stars.

  11. Understanding the time dependence of atomic level populations in evolving plasmas

    International Nuclear Information System (INIS)

    Judge, Philip G.

    2005-01-01

    The time dependence of atomic level populations in evolving plasmas is studied using an eigenfunction expansion of the non-LTE rate equations. The work aims to develop understanding without the need for, and as an aid to, numerical solutions. The discussion is mostly limited to linear systems, especially those for optically thin plasmas, but the implicitly non-linear case of non-LTE radiative transfer is briefly discussed. Eigenvalue spectra for typical atomic systems are examined using results compiled by Hearon. Diagonal dominance and sign symmetry of rate matrices show that just one eigenvalue is zero (corresponding to the equilibrium state), that the remaining eigenvalues have negative real parts, and that oscillations, if any, are necessarily damped. Gershgorin's theorems are used to show that many eigenvalues are determined by the radiative lifetimes of certain levels, because of diagonal dominance. With other properties, this demonstrates the existence of both 'slow' and 'fast' time-scales, where the 'slow' evolution is controlled by properties of meta-stable levels. It is shown that, when collisions are present, Rydberg states contribute only 'fast' eigenvalues. This justifies use of the quasi-static approximation, in which atoms containing just meta-stable levels can suffice to determine the atomic evolution on time-scales long compared with typical radiative lifetimes. Analytic solutions for two- and three-level atoms are used to examine the basis of earlier intuitive ideas, such as the 'ionizing plasma' approximation. The power and limitations of Gershgorin's theorems are examined through examples taken from the solar atmosphere. The methods should help in the planning and interpretation of both experimental and numerical experiments in which atomic evolution is important. While the examples are astrophysical, the methods and results are applicable to plasmas in general

  12. Quantum-kinetic modeling of electron release in low-energy surface collisions of atoms and molecules

    Energy Technology Data Exchange (ETDEWEB)

    Marbach, Johannes

    2012-09-20

    In this work we present a theoretical description of electron release in the collision of atomic and molecular projectiles with metallic and especially dielectric surfaces. The associated electron yield, the secondary electron emission coefficient, is an important input parameter for numerical simulations of dielectric barrier discharges and other bounded low-temperature gas discharges. The available reference data for emission coefficients is, however, very sparse and often uncertain, especially for molecular projectiles. With the present work we aim to contribute to the filling of these gaps by providing a flexible and easy-to-use model that allows for a convenient calculation of the emission coefficient and related quantities for a wide range of projectile-surface systems and the most dominant reaction channels.

  13. Modeling growth kinetics of thin films made by atomic layer deposition in lateral high-aspect-ratio structures

    Science.gov (United States)

    Ylilammi, Markku; Ylivaara, Oili M. E.; Puurunen, Riikka L.

    2018-05-01

    The conformality of thin films grown by atomic layer deposition (ALD) is studied using all-silicon test structures with long narrow lateral channels. A diffusion model, developed in this work, is used for studying the propagation of ALD growth in narrow channels. The diffusion model takes into account the gas transportation at low pressures, the dynamic Langmuir adsorption model for the film growth and the effect of channel narrowing due to film growth. The film growth is calculated by solving the diffusion equation with surface reactions. An efficient analytic approximate solution of the diffusion equation is developed for fitting the model to the measured thickness profile. The fitting gives the equilibrium constant of adsorption and the sticking coefficient. This model and Gordon's plug flow model are compared. The simulations predict the experimental measurement results quite well for Al2O3 and TiO2 ALD processes.

  14. Quantum-kinetic modeling of electron release in low-energy surface collisions of atoms and molecules

    International Nuclear Information System (INIS)

    Marbach, Johannes

    2012-01-01

    In this work we present a theoretical description of electron release in the collision of atomic and molecular projectiles with metallic and especially dielectric surfaces. The associated electron yield, the secondary electron emission coefficient, is an important input parameter for numerical simulations of dielectric barrier discharges and other bounded low-temperature gas discharges. The available reference data for emission coefficients is, however, very sparse and often uncertain, especially for molecular projectiles. With the present work we aim to contribute to the filling of these gaps by providing a flexible and easy-to-use model that allows for a convenient calculation of the emission coefficient and related quantities for a wide range of projectile-surface systems and the most dominant reaction channels.

  15. Light element opacities of astrophysical interest from ATOMIC

    Energy Technology Data Exchange (ETDEWEB)

    Colgan, J.; Kilcrease, D. P.; Magee, N. H. Jr.; Armstrong, G. S. J.; Abdallah, J. Jr.; Sherrill, M. E. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Fontes, C. J.; Zhang, H. L.; Hakel, P. [Computational Physics Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2013-07-11

    We present new calculations of local-thermodynamic-equilibrium (LTE) light element opacities from the Los Alamos ATOMIC code for systems of astrophysical interest. ATOMIC is a multi-purpose code that can generate LTE or non-LTE quantities of interest at various levels of approximation. Our calculations, which include fine-structure detail, represent a systematic improvement over previous Los Alamos opacity calculations using the LEDCOP legacy code. The ATOMIC code uses ab-initio atomic structure data computed from the CATS code, which is based on Cowan's atomic structure codes, and photoionization cross section data computed from the Los Alamos ionization code GIPPER. ATOMIC also incorporates a new equation-of-state (EOS) model based on the chemical picture. ATOMIC incorporates some physics packages from LEDCOP and also includes additional physical processes, such as improved free-free cross sections and additional scattering mechanisms. Our new calculations are made for elements of astrophysical interest and for a wide range of temperatures and densities.

  16. Quasiclassical trajectory study of the molecular beam kinetics of the deuterium atom--hydrogen halide exchange reactions

    International Nuclear Information System (INIS)

    Raff, L.M.; Suzukawa, H.H. Jr.; Thompson, D.L.

    1975-01-01

    Unadjusted quasiclassical trajectory computations have been carried out to simulate the molecular beam scattering of thermal D atom beams at 2800 degreeK crossed with beams of HCl and HI at 250 degreeK. Total reaction cross sections, energy partitioning distributions, and differential scattering cross sections have been computed for the exchange reactions D+HCl → DCl+H and D+HI → DI+H while total reaction cross sections are reported for the corresponding abstractions, i.e., D+HCl → HD+Cl and D+HI → HD+I. For the exchange reactions, the computed reaction cross sections are within the range estimated from the crossed beam experiments. The calculated average energy partitioned into relative translational motion of products is in near quantitative agreement with the beam results, and the predicted differential scattering cross sections appear to be in qualitative accord with the beam experiments. The over-all agreement between theory and experiment indicates that previously computed values for the thermal rate coefficients for the exchange reactions are of the right order and that a systematic error exists in the interpretation of photolysis data in the hydrogen--hydrogen halide systems

  17. Effects of pressure, temperature and atomic exchanges on phase separation dynamics in Au/Ni(111) surface alloy: Kinetic Monte Carlo study

    Energy Technology Data Exchange (ETDEWEB)

    Zvejnieks, G. [Institute for Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga (Latvia); Ibenskas, A., E-mail: ibenskas@pfi.lt [Center for Physical Sciences and Technology, Semiconductor Physics Institute, Gostauto 11, LT-01108 Vilnius (Lithuania); Tornau, E.E. [Center for Physical Sciences and Technology, Semiconductor Physics Institute, Gostauto 11, LT-01108 Vilnius (Lithuania)

    2015-11-15

    Instability of the Au/Ni(111) surface alloy is studied in different CO gas pressure, p, and temperature limits using kinetic Monte Carlo simulations. We analyze the reaction front dynamics and formation of Au clusters using the model which takes into account surface adatom pair and three-body interactions, CO adsorption and desorption, catalytic carbonyl formation reaction, Au and Ni adatom diffusion and their concerted exchange. Variation of interaction parameters allows us to identify three possible reaction front propagation limits with different pressure dependencies: (i) slow channel-like flow in agreement with experimental data [1] (step flow rate, R, increases with p), (ii) intermediate regime (weak p–dependence), and (iii) fast homogeneous flow (R decreases with p). We find that only Au–Ni exchange, contrary to both Ni–CO and Au–CO exchanges, significantly reduces the number of screened Ni atoms inside the Au clusters and stimulates the occurrence of Ni-free Au clusters. The size of Au islands depends on both pressure and temperature. At a fixed temperature it decreases with pressure due to an increased step flow rate. In the high temperature limit, despite the step flow rate exponential increase with temperature, the cluster size increases due to an enhanced Au mobility. - Highlights: • Kinetic Monte Carlo study of Au–Ni surface alloy instability to CO pressure and temperature. • Three reaction front propagation regimes. • In channel-like regime, the step flow rate increases with CO pressure as in experiment. • Ni-free Au islands are obtained when Au-Ni adatom exchange mechanism is considered. • The size of Au islands decreases with pressure and increases with temperature.

  18. Effects of pressure, temperature and atomic exchanges on phase separation dynamics in Au/Ni(111) surface alloy: Kinetic Monte Carlo study

    International Nuclear Information System (INIS)

    Zvejnieks, G.; Ibenskas, A.; Tornau, E.E.

    2015-01-01

    Instability of the Au/Ni(111) surface alloy is studied in different CO gas pressure, p, and temperature limits using kinetic Monte Carlo simulations. We analyze the reaction front dynamics and formation of Au clusters using the model which takes into account surface adatom pair and three-body interactions, CO adsorption and desorption, catalytic carbonyl formation reaction, Au and Ni adatom diffusion and their concerted exchange. Variation of interaction parameters allows us to identify three possible reaction front propagation limits with different pressure dependencies: (i) slow channel-like flow in agreement with experimental data [1] (step flow rate, R, increases with p), (ii) intermediate regime (weak p–dependence), and (iii) fast homogeneous flow (R decreases with p). We find that only Au–Ni exchange, contrary to both Ni–CO and Au–CO exchanges, significantly reduces the number of screened Ni atoms inside the Au clusters and stimulates the occurrence of Ni-free Au clusters. The size of Au islands depends on both pressure and temperature. At a fixed temperature it decreases with pressure due to an increased step flow rate. In the high temperature limit, despite the step flow rate exponential increase with temperature, the cluster size increases due to an enhanced Au mobility. - Highlights: • Kinetic Monte Carlo study of Au–Ni surface alloy instability to CO pressure and temperature. • Three reaction front propagation regimes. • In channel-like regime, the step flow rate increases with CO pressure as in experiment. • Ni-free Au islands are obtained when Au-Ni adatom exchange mechanism is considered. • The size of Au islands decreases with pressure and increases with temperature

  19. Energy flux of hot atoms

    International Nuclear Information System (INIS)

    Wotzak, G.P.; Kostin, M.D.

    1976-01-01

    The process in which hot atoms collide with thermal atoms of a gas, transfer kinetic energy to them, and produce additional hot atoms is investigated. A stochastic method is used to obtain numerical results for the spatial and time dependent energy flux of hot atoms in a gas. The results indicate that in hot atom systems a front followed by an intense energy flux of hot atoms may develop

  20. Non-LTE profiles of strong solar lines

    Science.gov (United States)

    Schneeberger, T. J.; Beebe, H. A.

    1976-01-01

    The complete linearization method is applied to the formation of strong lines in the solar atmosphere. Transitions in Na(I), Mg(I), Ca(I), Mg(II), and Ca(II) are computed with a standard atmosphere and microturbulent velocity model. The computed profiles are compared to observations at disk center.

  1. Non-LTE hydrogen-line formation in moving prominences

    Science.gov (United States)

    Heinzel, P.; Rompolt, B.

    1986-01-01

    The behavior of hydrogen-line brightness variations, depending on the prominence-velocity changes were investigated. By solving the NON-Local thermodynamic equilibrium (LTE) problem for hydrogen researchers determine quantitatively the effect of Doppler brightening and/or Doppler dimming (DBE, DDE) in the lines of Lyman and Balmer series. It is demonstrated that in low-density prominence plasmas, DBE in H alpha and H beta lines can reach a factor of three for velocities around 160 km/sec, while the L alpha line exhibits typical DDE. L beta brightness variations follow from a combined DBE in the H alpha and DDE in L alpha and L beta itself, providing that all relevant multilevel interlocking processes are taken into account.

  2. Simulation of non LTE opacity with incoming radiation

    Science.gov (United States)

    Klapisch, Marcel; Busquet, Michel

    2009-11-01

    Simulation of radiative properties of hot plasmas is important for ICF, other laboratory plasmas, and astrophysics. When mid-Z or high-Z elements are involved, the spectra are so complex that one commonly uses LTE approximation. This was recently done in interpreting a carefully calibrated experiment on Fe at 160 eV [1]. However some disagreement remains concerning the ion charge distribution. The newest version of HULLAC [2] has the capability to take into account an incoming radiation field in solving the rate equations of the coronal radiative model (CRM). We will show results with different representation of the radiation field.[4pt] [1] J.E. Bailey, G.A. Rochau, C.A. Iglesias, et al., Phys. Rev. Lett. 99, (2007) 265002-4.[0pt] [2] M. Klapisch and M. Busquet, High Ener. Dens. Phys. 5, (2009) 105-9.

  3. Non-LTE Equation of State for ICF simulations

    Science.gov (United States)

    Klapisch, Marcel; Bar-Shalom, Avraham; Colombant, Denis

    2002-11-01

    SCROLL is a collisional radiative model able to deal with complex spectra[1]. It is used to generate opacity/emissivity databases [2] compatible with the hydrocode FAST[3] for all elements of interest in the simulation of ICF targets, including high-Z. It is now modified to yield tables of EOS data for FAST, in the whole range of interest (T=1 to 25000eV, rho=10-6 to 100g/cc). SCROLL contributes the electronic -free and bound- part of the EOS, replacing Busquet's model of an ionization temperature. Ionization energies include contributions of all excited states. Energies and Z* go smoothly to the high density regime, where a "jellium" model is assumed. The free electrons are self consistent with the bound electrons. Examples of runs will be shown. Supported by USDOE through a contract with the Naval Research Laboratory. [1] A. Bar-Shalom, J. Oreg, and M. Klapisch, J. Quant. Spectrosc. Radiat. Transfer 65, 43 (2000). [2] A. Bar-shalom, M. Klapisch, J. Oreg, and D. Colombant, Bull. Am. Phys. Soc. 46, 295 (2001). [3] J. H. Gardner, A. J. Schmitt, J. P. Dahlburg, et al, Phys. Plasmas 5, 1935 (1998).

  4. Errors in Sounding of the Atmosphere Using Broadband Emission Radiometry (SABER) Kinetic Temperature Caused by Non-Local Thermodynamic Equilibrium Model Parameters

    Science.gov (United States)

    Garcia-Comas, Maya; Lopez-Puertas, M.; Funke, B.; Bermejo-Pantaleon, D.; Marshall, Benjamin T.; Mertens, Christopher J.; Remsberg, Ellis E.; Mlynczak, Martin G.; Gordley, L. L.; Russell, James M.

    2008-01-01

    The vast set of near global and continuous atmospheric measurements made by the SABER instrument since 2002, including daytime and nighttime kinetic temperature (T(sub k)) from 20 to 105 km, is available to the scientific community. The temperature is retrieved from SABER measurements of the atmospheric 15 micron CO2 limb emission. This emission separates from local thermodynamic equilibrium (LTE) conditions in the rarefied mesosphere and thermosphere, making it necessary to consider the CO2 vibrational state non-LTE populations in the retrieval algorithm above 70 km. Those populations depend on kinetic parameters describing the rate at which energy exchange between atmospheric molecules take place, but some of these collisional rates are not well known. We consider current uncertainties in the rates of quenching of CO2 (v2 ) by N2 , O2 and O, and the CO2 (v2 ) vibrational-vibrational exchange to estimate their impact on SABER T(sub k) for different atmospheric conditions. The T(sub k) is more sensitive to the uncertainty in the latter two and their effects depend on altitude. The T(sub k) combined systematic error due to non-LTE kinetic parameters does not exceed +/- 1.5 K below 95 km and +/- 4-5 K at 100 km for most latitudes and seasons (except for polar summer) if the Tk profile does not have pronounced vertical structure. The error is +/- 3 K at 80 km, +/- 6 K at 84 km and +/- 18 K at 100 km under the less favourable polar summer conditions. For strong temperature inversion layers, the errors reach +/- 3 K at 82 km and +/- 8 K at 90 km. This particularly affects tide amplitude estimates, with errors of up to +/- 3 K.

  5. Experimental study on the kinetically induced electronic excitation in atomic collisional cascades; Experimentelle Untersuchung zur kinetisch induzierten elektronischen Anregung in atomaren Stosskaskaden

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, S.

    2006-08-15

    the present thesis deals with the ion-collision-induced electronic excitation of metallic solids. For this for the first time metal-insulator-metal layer systems are used for the detection of this electronic excitation. The here applied aluminium/aluminium oxide/silver layer sytems have barrier heights of 2.4 eV on the aluminium respectively 3.3 eV on the silver side. With the results it could uniquely be shown that the electronic excitation is generated by kinetic processes, this excitation dependenc on the kinetic energy of the colliding particles, and the excitation dependes on the charge state of the projectile.

  6. Effects of deviations from local thermodynamic equilibrium in the atmospheres of F supergiants. I. Overionization of Fe I atoms

    International Nuclear Information System (INIS)

    Boyarchuk, A.A.; Lyubimkov, L.S.; Sakhibullin, N.A.

    1985-01-01

    For a number of class F supergiants and dwarfs, non-LTE calculations have been made of the Fe I-Fe II ionization balance. It is shown that deviations from local thermodynamic equilibrium lead to a strong overionization of the Fe I atoms in the upper layers of the atmosphere. This confirms the conclusion obtained by Lyubimkov and Boyarchuk on the basis of an investigation of microturbulence in F supergiants. The reason for the overionization (compared with LTE) is the nonequality of the recombination and photoionization temperatures: To recombination processes there corresponds a local temperature T(/tau/), whereas the photoionization takes place under the influence of ultraviolet radiation from deeper and hotter layers of the atmosphere. The equivalent widths of some Fe I lines have been calculated. It is shown that neglect of the overionization in the analysis of sufficiently strong lines may lead to an underestimation of the iron abundance by an order of magnitude

  7. Accurate atom-solid kinetic energy shifts from the simultaneous measurement of the KLL Auger spectra for Na, Mg, Al and Si

    International Nuclear Information System (INIS)

    Aksela, S; Turunen, P; Kantia, T; Aksela, H

    2011-01-01

    KLL Auger-energy shifts between free atoms and their solid surfaces were determined from spectra measured simultaneously in identical experimental conditions. Essentially, the shift values obtained for Na, Mg, Al and Si were more accurate than those achieved by combining the results from separate vapour and solid measurements. Using atomic Auger energies and determined shifts, reliable absolute solid state Auger energies with respect to the vacuum level were also obtained. Experimental shift values were also compared with calculations obtained with the excited atom model. 2s and 2p binding energy shifts were estimated from recent high resolution and due to open shell strongly split vapour phase spectra and corresponding published solid state results. Also, the question of the extent to which the 2s and 2p shifts deviate has been discussed here. (paper)

  8. Microstructural evolution under high flux irradiation of dilute Fe-CuNiMnSi alloys studied by an atomic kinetic Monte Carlo model accounting for both vacancies and self interstitials

    International Nuclear Information System (INIS)

    Vincent, E.; Becquart, C.S.; Domain, C.

    2008-01-01

    Under neutron irradiation, a large amount of point defects (vacancies and interstitials) are created. In the irradiated pressure vessel steels, weakly alloyed, these point defects are responsible for the diffusion of the solute atoms, leading to the formation of solute rich precipitates within the matrix. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects with solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si). For Mn, the results of these calculations lead to think that solute transport in α-Fe can very likely take place through an interstitial mechanism as well as via vacancies while the other solutes (Cu, Ni and Si) which establish strong bonds with vacancies diffuse more likely via vacancies only. The database thus created has been used to parameterize an atomic kinetic Monte Carlo model taking into account both vacancies and interstitials. Some results of irradiation damage in dilute Fe-CuNiMnSi alloys obtained with this model will be presented

  9. Microstructural evolution under high flux irradiation of dilute Fe CuNiMnSi alloys studied by an atomic kinetic Monte Carlo model accounting for both vacancies and self interstitials

    Science.gov (United States)

    Vincent, E.; Becquart, C. S.; Domain, C.

    2008-12-01

    Under neutron irradiation, a large amount of point defects (vacancies and interstitials) are created. In the irradiated pressure vessel steels, weakly alloyed, these point defects are responsible for the diffusion of the solute atoms, leading to the formation of solute rich precipitates within the matrix. Ab initio calculations based on the density functional theory have been performed to determine the interactions of point defects with solute atoms in dilute FeX alloys (X = Cu, Mn, Ni or Si). For Mn, the results of these calculations lead to think that solute transport in α-Fe can very likely take place through an interstitial mechanism as well as via vacancies while the other solutes (Cu, Ni and Si) which establish strong bonds with vacancies diffuse more likely via vacancies only. The database thus created has been used to parameterize an atomic kinetic Monte Carlo model taking into account both vacancies and interstitials. Some results of irradiation damage in dilute Fe-CuNiMnSi alloys obtained with this model will be presented.

  10. The diffusion of a Ga atom on GaAs(001)β2(2 × 4): Local superbasin kinetic Monte Carlo

    Science.gov (United States)

    Lin, Yangzheng; Fichthorn, Kristen A.

    2017-10-01

    We use first-principles density-functional theory to characterize the binding sites and diffusion mechanisms for a Ga adatom on the GaAs(001)β 2(2 × 4) surface. Diffusion in this system is a complex process involving eleven unique binding sites and sixteen different hops between neighboring binding sites. Among the binding sites, we can identify four different superbasins such that the motion between binding sites within a superbasin is much faster than hops exiting the superbasin. To describe diffusion, we use a recently developed local superbasin kinetic Monte Carlo (LSKMC) method, which accelerates a conventional kinetic Monte Carlo (KMC) simulation by describing the superbasins as absorbing Markov chains. We find that LSKMC is up to 4300 times faster than KMC for the conditions probed in this study. We characterize the distribution of exit times from the superbasins and find that these are sometimes, but not always, exponential and we characterize the conditions under which the superbasin exit-time distribution should be exponential. We demonstrate that LSKMC simulations assuming an exponential superbasin exit-time distribution yield the same diffusion coefficients as conventional KMC.

  11. Growth kinetics for temperature-controlled atomic layer deposition of GaN using trimethylgallium and remote-plasma-excited NH3

    Science.gov (United States)

    Pansila, P.; Kanomata, K.; Miura, M.; Ahmmad, B.; Kubota, S.; Hirose, F.

    2015-12-01

    Fundamental surface reactions in the atomic layer deposition of GaN with trimethylgallium (TMG) and plasma-excited NH3 are investigated by multiple-internal-reflection infrared absorption spectroscopy (MIR-IRAS) at surface temperatures varying from room temperature (RT) to 400 °C. It is found that TMG is saturated at RT on GaN surfaces when the TMG exposure exceeds 8 × 104 Langmuir (L), where 1 L corresponds to 1.33 × 10-4 Pa s (or 1.0 × 10-6 Torr s), and its saturation density reaches the maximum value at RT. Nitridation with the plasma-excited NH3 on the TMG-saturated GaN surface is investigated by X-ray photoelectron spectroscopy (XPS). The nitridation becomes effective at surface temperatures in excess of 100 °C. The reaction models of TMG adsorption and nitridation on the GaN surface are proposed in this paper. Based on the surface analysis, a temperature-controlled ALD process consisting of RT-TMG adsorption and nitridation at 115 °C is examined, where the growth per cycle of 0.045 nm/cycle is confirmed. XPS analysis indicates that all N atoms are bonded as GaN. Atomic force microscopy indicates an average roughness of 0.23 nm. We discuss the reaction mechanism of GaN ALD in the low-temperature region at around 115 °C with TMG and plasma-excited NH3.

  12. Kinetics of an oxygen – iodine active medium with iodine atoms optically pumped on the {sup 2}P{sub 1/2} – {sup 2}P{sub 3/2} transition

    Energy Technology Data Exchange (ETDEWEB)

    Zagidullin, M V; Azyazov, V N [Samara Branch of the P.N. Lebedev Physical Institute, Russian Academy of Sciences, Samara (Russian Federation); Malyshev, M S [S.P. Korolev Samara State Aerospace University, Samara (Russian Federation)

    2015-08-31

    The kinetics of the processes occurring in an O{sub 2} – I{sub 2} – He – H{sub 2}O gas flow in which photodissociation of molecular iodine at a wavelength close to 500 nm and excitation of atomic iodine on the {sup 2}P{sub 1/2} – {sup 2}P{sub 3/2} transition by narrow-band radiation near 1315 nm are implemented successively has been analysed. It is shown that implementation of these processes allows one to form an oxygen – iodine medium with a high degree of dissociation of molecular iodine and a relative content of singlet oxygen O{sub 2}(a{sup 1}Δ) exceeding 10%. Having formed a supersonic gas flow with a temperature ∼100 K from this medium, one can reach a small-signal gain of about 10{sup -2} cm{sup -1} on the {sup 2}P{sub 1/2} – {sup 2}P{sub 3/2} transition in iodine atoms. The specific power per unit flow cross section in the oxygen – iodine laser with this active medium may reach ∼100 W cm{sup -2}. (active media)

  13. Final Report on Atomic Database Project

    International Nuclear Information System (INIS)

    Yuan, J.; Gui, Z.; Moses, G.A.

    2006-01-01

    Atomic physics in hot dense plasmas is essential for understanding the radiative properties of plasmas either produced terrestrially such as in fusion energy research or in space such as the study of the core of the sun. Various kinds of atomic data are needed for spectrum analysis or for radiation hydrodynamics simulations. There are many atomic databases accessible publicly through the web, such as CHIANTI (an atomic database for spectroscopic diagnostics for astrophysical plasmas) from Naval Research Laboratory [1], collaborative development of TOPbase (The Opacity Project for astrophysically abundant elements) [2], NIST atomic spectra database from NIST [3], TOPS Opacities from Los Alamos National Laboratory [4], etc. Most of these databases are specific to astrophysics, which provide energy levels, oscillator strength f and photoionization cross sections for astrophysical elements ( Z=1-26). There are abundant spectrum data sources for spectral analysis of low Z elements. For opacities used for radiation transport, TOPS Opacities from LANL is the most valuable source. The database provides mixed opacities from element for H (Z=1) to Zn (Z=30) The data in TOPS Opacities is calculated by the code LEDCOP. In the Fusion Technology Institute, we also have developed several different models to calculate atomic data and opacities, such as the detailed term accounting model (DTA) and the unresolved transition array (UTA) model. We use the DTA model for low-Z materials since an enormous number of transitions need to be computed for medium or high-Z materials. For medium and high Z materials, we use the UTA model which simulates the enormous number of transitions by using a single line profile to represent a collection of transition arrays. These models have been implemented in our computing code JATBASE and RSSUTA. For plasma populations, two models are used in JATBASE, one is the local thermodynamic equilibrium (LTE) model and the second is the non-LTE model. For the

  14. Growth kinetics for temperature-controlled atomic layer deposition of GaN using trimethylgallium and remote-plasma-excited NH{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Pansila, P. [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); Kanomata, K. [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); Japan Society for the Promotion of Science, 5-3-1 Kojimachi, Chiyoda-ku, Tokyo 102-0083 (Japan); Miura, M. [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); Ahmmad, B.; Kubota, S. [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); CREST, Japan Science and Technology Agency, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); Hirose, F., E-mail: fhirose@yz.yamagata-u.ac.jp [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); CREST, Japan Science and Technology Agency, 4-3-16 Jonan, Yonezawa 992-8510 (Japan)

    2015-12-01

    Highlights: • We discuss the reaction mechanism of the low temperature GaN ALD. • The plasma-excited NH{sub 3} is effective in the nitridation of the TMG saturated GaN surface with surface temperatures in excess of 100 °C. • The temperature controlled ALD of GaN is examined using RT-TMG adsorption and plasma-excited NH{sub 3} treatment with the temperature of 115 °C. - Abstract: Fundamental surface reactions in the atomic layer deposition of GaN with trimethylgallium (TMG) and plasma-excited NH{sub 3} are investigated by multiple-internal-reflection infrared absorption spectroscopy (MIR-IRAS) at surface temperatures varying from room temperature (RT) to 400 °C. It is found that TMG is saturated at RT on GaN surfaces when the TMG exposure exceeds 8 × 10{sup 4} Langmuir (L), where 1 L corresponds to 1.33 × 10{sup −4} Pa s (or 1.0 × 10{sup −6} Torr s), and its saturation density reaches the maximum value at RT. Nitridation with the plasma-excited NH{sub 3} on the TMG-saturated GaN surface is investigated by X-ray photoelectron spectroscopy (XPS). The nitridation becomes effective at surface temperatures in excess of 100 °C. The reaction models of TMG adsorption and nitridation on the GaN surface are proposed in this paper. Based on the surface analysis, a temperature-controlled ALD process consisting of RT-TMG adsorption and nitridation at 115 °C is examined, where the growth per cycle of 0.045 nm/cycle is confirmed. XPS analysis indicates that all N atoms are bonded as GaN. Atomic force microscopy indicates an average roughness of 0.23 nm. We discuss the reaction mechanism of GaN ALD in the low-temperature region at around 115 °C with TMG and plasma-excited NH{sub 3}.

  15. Growth kinetics for temperature-controlled atomic layer deposition of GaN using trimethylgallium and remote-plasma-excited NH3

    International Nuclear Information System (INIS)

    Pansila, P.; Kanomata, K.; Miura, M.; Ahmmad, B.; Kubota, S.; Hirose, F.

    2015-01-01

    Highlights: • We discuss the reaction mechanism of the low temperature GaN ALD. • The plasma-excited NH 3 is effective in the nitridation of the TMG saturated GaN surface with surface temperatures in excess of 100 °C. • The temperature controlled ALD of GaN is examined using RT-TMG adsorption and plasma-excited NH 3 treatment with the temperature of 115 °C. - Abstract: Fundamental surface reactions in the atomic layer deposition of GaN with trimethylgallium (TMG) and plasma-excited NH 3 are investigated by multiple-internal-reflection infrared absorption spectroscopy (MIR-IRAS) at surface temperatures varying from room temperature (RT) to 400 °C. It is found that TMG is saturated at RT on GaN surfaces when the TMG exposure exceeds 8 × 10 4 Langmuir (L), where 1 L corresponds to 1.33 × 10 −4 Pa s (or 1.0 × 10 −6 Torr s), and its saturation density reaches the maximum value at RT. Nitridation with the plasma-excited NH 3 on the TMG-saturated GaN surface is investigated by X-ray photoelectron spectroscopy (XPS). The nitridation becomes effective at surface temperatures in excess of 100 °C. The reaction models of TMG adsorption and nitridation on the GaN surface are proposed in this paper. Based on the surface analysis, a temperature-controlled ALD process consisting of RT-TMG adsorption and nitridation at 115 °C is examined, where the growth per cycle of 0.045 nm/cycle is confirmed. XPS analysis indicates that all N atoms are bonded as GaN. Atomic force microscopy indicates an average roughness of 0.23 nm. We discuss the reaction mechanism of GaN ALD in the low-temperature region at around 115 °C with TMG and plasma-excited NH 3 .

  16. Probing anodic oxidation kinetics and nanoscale heterogeneity within TiO2 films by Conductive Atomic Force Microscopy and combined techniques

    International Nuclear Information System (INIS)

    Diamanti, M.V.; Souier, T.; Stefancich, M.; Chiesa, M.; Pedeferri, M.P.

    2014-01-01

    Graphical abstract: - Highlights: • Nanoscale anodic titanium oxides were investigated with multidisciplinary approach. • Oxide thickness was estimated via spectrophotometry and coulometry. • C-AFM identified nanometric conductivity heterogeneities, ascribed to oxide structure. • High conductivity areas exhibited local memristive behavior. - Abstract: Anodic oxidation of titanium in acid electrolytes allows to obtain a thin, compact oxide layer with thickness, structure, color, and electrical properties that vary with process parameters imposed, among which cell voltage has a key effect. Although oxidation kinetics have been investigated in several research works, a broader vision of oxide properties–including thickness and structure–still has to be achieved, especially in the case of very thin oxide films, few tens of nanometers thick. This is vital for engineered applications of nanostructured TiO 2 films, as in the field of memristive devices, where a precise control of oxide thickness, composition and structure is required to tune its electrical response. In this work, oxide films were produced on titanium with thickness ranging from few nanometers to 200 nm. Oxide thickness was estimated by coulometry and spectrophotometry. These techniques were then combined with C-AFM, which provided a deeper understanding of oxide thickness and uniformity of the metal surface and probed the presence of crystalline nano-domains within the amorphous oxide phase affecting the overall film electrical and optical properties

  17. Kinetic evidence for the formation of discrete 1,4-dehydrobenzene intermediates. Trapping by inter- and intramolecular hydrogen atom transfer and observation of high-temperature CIDNP

    Energy Technology Data Exchange (ETDEWEB)

    Lockhart, Thomas P. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); California Inst. of Technology (CalTech), Pasadena, CA (United States); Comita, Paul B. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); California Inst. of Technology (CalTech), Pasadena, CA (United States); Bergman, Robert G. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); California Inst. of Technology (CalTech), Pasadena, CA (United States)

    1981-07-01

    Upon heating, alkyl-substituted cis-1,2-diethynyl olefins undergo cyclization to yield reactive 1,4-dehydrobenzenes; the products isolated may be derived from either unimolecular or bimolecular reactions of the intermediate. (Z)-4,5-Diethynyl-4-octene (4) undergoes rearrangement to yield 2,3-di-n-propyl-1,4-dehydrobenzene (17). Solution pyrolysis of 4 in inert aromatic solvents produces three unimolecular products, (Z)-dodeca-4,8-diyn-6-ene (7), benzocyclooctene (9), and o-allyl-n-propylbenzene (10), in high yield. When 1,4-cyclohexadiene is added to the pyrolysis solution as a trapping agent, high yields of the reduced product o-di-n-propylbenzene (12) are obtained. The kinetics of solution pyrolysis of 4 in the presence and absence of trapping agent establish that 2,3-di-n-propyl-1,4-dehydrobenzene is a discrete intermediate on the pathway leading to products. When the reaction was run in the heated probe of an NMR spectrometer, CIDNP was observed in 10. This observation, along with kinetic and chemical trapping evidence, indicates the presence of two additional intermediates, formed from 17 by sequential intramolecular [1,5] hydrogen transfer, on the pathway to products. The observation of CIDNP, coupled with the reactivity exhibited by 17 and the other two intermediates, implicate a biradical description of these molecules. Biradical 17 has been estimated to have a lifetime of about 10-9 s at 200°C and to lie in a well of about 5 kcal/mol with respect to the lowest energy unimolecular pathway ([1,5] hydrogen transfer). Ring opening (expected to be the lowest energy process for 1,4-dehydrobenzenes in which intramolecular hydrogen transfer is unlikely) to the isomeric diethynyl olefin 7 appears to have an activation enthalpy of about 10 kcal/moL Upon thermal reaction in the gas phase (400°C) or in solution in inert solvents (Z)-hexa-2,3-diethyl-1,5-diyn-3-ene (5) rearranges in good yield to the isomeric diethynyl olefin (Z)-deca-3,7-diyn-5-ene (8

  18. Kinetics of isotope exchange reactions involving intra- and intermolecular reactions: 1. Rate law for a system with two chemical compounds and three exchangeable atoms

    International Nuclear Information System (INIS)

    Xuelei Chu; Ohmoto, Hiroshi

    1991-01-01

    For an isotopic exchange reaction between two compounds (X and AB) in a homogeneous system, such as a gaseous or aqueous system, where one (AB) of them possesses two exchangeable atoms in non-equivalent positions and where one intramolecular isotope exchange (A ↔ B) and two intermolecular isotope exchange reactions (X ↔ A and X ↔ B) may occur, its rate law no longer obeys a pseudo-first order rate equation described for simple two-component systems by many previous investigators. The change with time of the δ value of each of the three components (X, A, and B) in a closed and homogeneous system is a complicated function of the initial δ values of the three components, the chemical concentrations of the two compounds, and the overall rate constants of the forward and reverse reactions involving the two intermolecular and one intramolecular reactions of isotope exchanges. Also, for some one of the three components, the change of its δ value with time may not be monotonic, and the relationship of 1n (1 - F) with time may be non-linear in a plot of 1n (1 - F) vs. t. In addition, the rate law of the isotope exchange reaction in this system also provides a quantitative method to estimate the overall rate constants for the one-intra-and two intermolecular isotope exchanges and the equilibrium isotopic fractionation factors among the three components

  19. Kinetics of the CH3 + HCl/DCl → CH4/CH3D + Cl and CD3 + HCl/DCl → CD3H/CD4 + Cl reactions: An experimental H atom tunneling investigation

    International Nuclear Information System (INIS)

    Eskola, Arkke J.; Seetula, Jorma A.; Timonen, Raimo S.

    2006-01-01

    The kinetics of the radical reactions of CH 3 with HCl or DCl and CD 3 with HCl or DCl have been investigated in a temperature controlled tubular reactor coupled to a photoionization mass spectrometer. The CH 3 (or CD 3 ) radical, R, was produced homogeneously in the reactor by a pulsed 193 nm exciplex laser photolysis of CH 3 COCH 3 (or CD 3 COCD 3 ). The decay of CH 3 /CD 3 was monitored as a function of HCl/DCl concentration under pseudo-first-order conditions to determine the rate constants as a function of temperature, typically from 188 to 500 K. The rate constants of the CH 3 and CD 3 reactions with HCl had strong non-Arrhenius behavior at low temperatures. The rate constants were fitted to a modified Arrhenius expression k = QA exp (-E a /RT) (error limits stated are 1σ + Students t values, units in cm 3 molecule -1 s -1 ): k(CH 3 + HCl) = [1.004 + 85.64 exp (-0.02438 x T/K)] x (3.3 ± 1.3) x 10 -13 exp [-(4.8 ± 0.6) kJ mol -1 /RT] and k(CD 3 + HCl) = [1.002 + 73.31 exp (-0.02505 x T/K)] x (2.7 ± 1.2) x 10 -13 exp [-(3.5 ± 0.5) kJ mol -1 /RT]. The radical reactions with DCl were studied separately over a wide ranges of temperatures and in these temperature ranges the rate constants determined were fitted to a conventional Arrhenius expression k = A exp (-E a /RT) (error limits stated are 1σ + Students t values, units in cm 3 molecule -1 s -1 ): k(CH 3 + DCl) = (2.4 ± 1.6) x 10 -13 exp [-(7.8 ± 1.4) kJ mol -1 /RT] and k(CD 3 + DCl) = (1.2 ± 0.4) x 10 -13 exp [-(5.2 ± 0.2) kJ mol -1 /RT] cm 3 molecule -1 s -1 . Curvature in the Arrhenius plots of the H-atom abstraction reactions at low temperatures was analyzed by considering H-atom tunneling through the reaction barrier and primary kinetic isotope effect. Contribution of tunneling in it was concluded to be negligible. In addition, secondary isotope effect was measured

  20. Quantum kinetic theory

    CERN Document Server

    Bonitz, Michael

    2016-01-01

    This book presents quantum kinetic theory in a comprehensive way. The focus is on density operator methods and on non-equilibrium Green functions. The theory allows to rigorously treat nonequilibrium dynamics in quantum many-body systems. Of particular interest are ultrafast processes in plasmas, condensed matter and trapped atoms that are stimulated by rapidly developing experiments with short pulse lasers and free electron lasers. To describe these experiments theoretically, the most powerful approach is given by non-Markovian quantum kinetic equations that are discussed in detail, including computational aspects.

  1. Kinetic Typography

    DEFF Research Database (Denmark)

    van Leeuwen, Theo; Djonov, Emilia

    2014-01-01

    After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images.......After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....

  2. TiO{sub 2} modified with Ag nanoparticles synthesized via ultrasonic atomization-UV reduction and the use of kinetic models to determine the acetic acid photocatalytic degradation

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Yingcao, E-mail: xuyingcao@aliyun.com [State Key Laboratory of Urban Water Resource, Environment, School of Municipal and Environmental Engineering, Harbin Institute of Technology, Harbin 150090 (China); Applied Chemistry Department, School of Science, Northeast Agriculture University, Harbin 150030 (China); You, Hong, E-mail: youhong@hit.edu.cn [State Key Laboratory of Urban Water Resource, Environment, School of Municipal and Environmental Engineering, Harbin Institute of Technology, Harbin 150090 (China)

    2014-12-01

    Highlights: • The first use of ultrasonic atomization-UV reduction for modifying Ag on TiO{sub 2}. • The first use of kinetics models for the establishment of the photocatalytic degradation of acetic acid using a hyperbolic mathematical model and introducing the concentration factor (α) in the dynamic model. • Photocatalytic experiment design using double-sided TiO{sub 2} and a double-light source. - Abstract: TiO{sub 2} surfaces modified with noble metal nanoparticles have been found to effectively reduce the photogenerated carrier recombination rate and significantly extend the light absorption properties of TiO{sub 2}, thereby greatly increasing its photocatalytic activity. In this paper, highly ordered, double-sided TiO{sub 2} nanotube arrays were prepared using an anodic oxidation method in a home-made reactor using glycerol/water (volume ratio 2:1) and NH{sub 4}F (0.25 mol/L) as the electrolyte, titanium plates (10 cm × 2 cm × 0.5 mm) as the anode and graphite as the cathode at a constant voltage of 25 V. After a 2-h reaction, anatase TiO{sub 2} nanotubes were obtained upon calcination at 450 °C for 4 h. The Ag nanoparticles on the surfaces of the TiO{sub 2} were prepared via ultrasonic atomization-ultraviolet light reduction. First, a silver nitrate solution was sputtered into small droplets under ultrasonication. Then, the Ag{sup +} droplets were reduced to Ag nanoparticles. The surface morphologies, structures and elemental compositions were characterized using SEM, EDS, XRD and XPS. The photocatalytic activities were determined in acetic acid solutions (40–200 mg/L), and a mathematical model for catalytic degradation was established based on a hyperbolic model. The SEM results showed that the diameters of the as-prepared Ag/TiO{sub 2} are approximately 100 nm and that the lengths are approximately 1.8 μm. The XRD crystal structure analysis shows that the anatase phase of the TiO{sub 2} does not change during the Ag modification, and there was

  3. Atmospheric chemistry of isoflurane, desflurane, and sevoflurane: kinetics and mechanisms of reactions with chlorine atoms and OH radicals and global warming potentials.

    Science.gov (United States)

    Sulbaek Andersen, Mads P; Nielsen, Ole J; Karpichev, Boris; Wallington, Timothy J; Sander, Stanley P

    2012-06-21

    The smog chamber/Fourier-transform infrared spectroscopy (FTIR) technique was used to measure the rate coefficients k(Cl + CF(3)CHClOCHF(2), isoflurane) = (4.5 ± 0.8) × 10(-15), k(Cl + CF(3)CHFOCHF(2), desflurane) = (1.0 ± 0.3) × 10(-15), k(Cl + (CF(3))(2)CHOCH(2)F, sevoflurane) = (1.1 ± 0.1) × 10(-13), and k(OH + (CF(3))(2)CHOCH(2)F) = (3.5 ± 0.7) × 10(-14) cm(3) molecule(-1) in 700 Torr of N(2)/air diluent at 295 ± 2 K. An upper limit of 6 × 10(-17) cm(3) molecule(-1) was established for k(Cl + (CF(3))(2)CHOC(O)F). The laser photolysis/laser-induced fluorescence (LP/LIF) technique was employed to determine hydroxyl radical rate coefficients as a function of temperature (241-298 K): k(OH + CF(3)CHFOCHF(2)) = (7.05 ± 1.80) × 10(-13) exp[-(1551 ± 72)/T] cm(3) molecule(-1); k(296 ± 1 K) = (3.73 ± 0.08) × 10(-15) cm(3) molecule(-1), and k(OH + (CF(3))(2)CHOCH(2)F) = (9.98 ± 3.24) × 10(-13) exp[-(969 ± 82)/T] cm(3) molecule(-1); k(298 ± 1 K) = (3.94 ± 0.30) × 10(-14) cm(3) molecule(-1). The rate coefficient of k(OH + CF(3)CHClOCHF(2), 296 ± 1 K) = (1.45 ± 0.16) × 10(-14) cm(3) molecule(-1) was also determined. Chlorine atoms react with CF(3)CHFOCHF(2) via H-abstraction to give CF(3)CFOCHF(2) and CF(3)CHFOCF(2) radicals in yields of approximately 83% and 17%. The major atmospheric fate of the CF(3)C(O)FOCHF(2) alkoxy radical is decomposition via elimination of CF(3) to give FC(O)OCHF(2) and is unaffected by the method used to generate the CF(3)C(O)FOCHF(2) radicals. CF(3)CHFOCF(2) radicals add O(2) and are converted by subsequent reactions into CF(3)CHFOCF(2)O alkoxy radicals, which decompose to give COF(2) and CF(3)CHFO radicals. In 700 Torr of air 82% of CF(3)CHFO radicals undergo C-C scission to yield HC(O)F and CF(3) radicals with the remaining 18% reacting with O(2) to give CF(3)C(O)F. Atmospheric oxidation of (CF(3))(2)CHOCH(2)F gives (CF(3))(2)CHOC(O)F in a molar yield of 93 ± 6% with CF(3)C(O)CF(3) and HCOF as minor products. The IR

  4. Growth kinetics and structural perfection of (InN){sub 1}/(GaN){sub 1–20} short-period superlattices on +c-GaN template in dynamic atomic layer epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Kusakabe, Kazuhide; Hashimoto, Naoki; Wang, Ke; Imai, Daichi [Center for SMART Green Innovation Research, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Itoi, Takaomi [Graduate School of Engineering, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Yoshikawa, Akihiko, E-mail: yoshi@faculty.chiba-u.jp [Center for SMART Green Innovation Research, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Graduate School of Engineering, Kogakuin University, Hachioji, Tokyo 192-0015 (Japan)

    2016-04-11

    The growth kinetics and structural perfection of (InN){sub 1}/(GaN){sub 1–20} short-period superlattices (SPSs) were investigated with their application to ordered alloys in mind. The SPSs were grown on +c-GaN template at 650 °C by dynamic atomic layer epitaxy in conventional plasma-assisted molecular beam epitaxy. It was found that coherent structured InN/GaN SPSs could be fabricated when the thickness of the GaN barrier was 4 ML or above. Below 3 ML, the formation of SPSs was quite difficult owing to the increased strain in the SPS structure caused by the use of GaN as a template. The effective or average In composition of the (InN){sub 1}/(GaN){sub 4} SPSs was around 10%, and the corresponding InN coverage in the ∼1 ML-thick InN wells was 50%. It was found that the effective InN coverage in ∼1 ML-thick InN wells could be varied with the growth conditions. In fact, the effective In composition could be increased up to 13.5%, i.e., the corresponding effective InN coverage was about 68%, by improving the capping/freezing speed by increasing the growth rate of the GaN barrier layer.

  5. Growth kinetics and structural perfection of (InN)_1/(GaN)_1_–_2_0 short-period superlattices on +c-GaN template in dynamic atomic layer epitaxy

    International Nuclear Information System (INIS)

    Kusakabe, Kazuhide; Hashimoto, Naoki; Wang, Ke; Imai, Daichi; Itoi, Takaomi; Yoshikawa, Akihiko

    2016-01-01

    The growth kinetics and structural perfection of (InN)_1/(GaN)_1_–_2_0 short-period superlattices (SPSs) were investigated with their application to ordered alloys in mind. The SPSs were grown on +c-GaN template at 650 °C by dynamic atomic layer epitaxy in conventional plasma-assisted molecular beam epitaxy. It was found that coherent structured InN/GaN SPSs could be fabricated when the thickness of the GaN barrier was 4 ML or above. Below 3 ML, the formation of SPSs was quite difficult owing to the increased strain in the SPS structure caused by the use of GaN as a template. The effective or average In composition of the (InN)_1/(GaN)_4 SPSs was around 10%, and the corresponding InN coverage in the ∼1 ML-thick InN wells was 50%. It was found that the effective InN coverage in ∼1 ML-thick InN wells could be varied with the growth conditions. In fact, the effective In composition could be increased up to 13.5%, i.e., the corresponding effective InN coverage was about 68%, by improving the capping/freezing speed by increasing the growth rate of the GaN barrier layer.

  6. Kinetic temperature of massive star forming molecular clumps measured with formaldehyde

    Science.gov (United States)

    Tang, X. D.; Henkel, C.; Menten, K. M.; Zheng, X. W.; Esimbek, J.; Zhou, J. J.; Yeh, C. C.; König, C.; Yuan, Y.; He, Y. X.; Li, D. L.

    2017-02-01

    Context. For a general understanding of the physics involved in the star formation process, measurements of physical parameters such as temperature and density are indispensable. The chemical and physical properties of dense clumps of molecular clouds are strongly affected by the kinetic temperature. Therefore, this parameter is essential for a better understanding of the interstellar medium. Formaldehyde, a molecule which traces the entire dense molecular gas, appears to be the most reliable tracer to directly measure the gas kinetic temperature. Aims: We aim to determine the kinetic temperature with spectral lines from formaldehyde and to compare the results with those obtained from ammonia lines for a large number of massive clumps. Methods: Three 218 GHz transitions (JKAKC = 303-202, 322-221, and 321-220) of para-H2CO were observed with the 15 m James Clerk Maxwell Telescope (JCMT) toward 30 massive clumps of the Galactic disk at various stages of high-mass star formation. Using the RADEX non-LTE model, we derive the gas kinetic temperature modeling the measured para-H2CO 322-221/303-202 and 321-220/303-202 ratios. Results: The gas kinetic temperatures derived from the para-H2CO (321-220/303-202) line ratios range from 30 to 61 K with an average of 46 ± 9 K. A comparison of kinetic temperature derived from para-H2CO, NH3, and the dust emission indicates that in many cases para-H2CO traces a similar kinetic temperature to the NH3 (2, 2)/(1, 1) transitions and the dust associated with the HII regions. Distinctly higher temperatures are probed by para-H2CO in the clumps associated with outflows/shocks. Kinetic temperatures obtained from para-H2CO trace turbulence to a higher degree than NH3 (2, 2)/(1, 1) in the massive clumps. The non-thermal velocity dispersions of para-H2CO lines are positively correlated with the gas kinetic temperature. The massive clumps are significantly influenced by supersonic non-thermal motions. The reduced spectra (FITS files) are only

  7. Physical kinetics

    International Nuclear Information System (INIS)

    Lifschitz, E.M.; Pitajewski, L.P.

    1983-01-01

    The textbook covers the subject under the following headings: kinetic gas theory, diffusion approximation, collisionless plasma, collisions within the plasma, plasma in the magnetic field, theory of instabilities, dielectrics, quantum fluids, metals, diagram technique for nonequilibrium systems, superconductors, and kinetics of phase transformations

  8. Heparin kinetics

    International Nuclear Information System (INIS)

    Swart, C.A.M. de.

    1983-01-01

    The author has studied the kinetics of heparin and heparin fractions after intravenous administration in humans and in this thesis the results of this study are reported. Basic knowledge about the physico-chemical properties of heparin and its interactions with proteins resulting in anticoagulant and lipolytic effects are discussed in a review (chapter II), which also comprises some clinical aspects of heparin therapy. In chapter III the kinetics of the anticoagulant effect are described after intravenous administration of five commercial heparin preparations. A mathematical model is presented that fits best to these kinetics. The kinetics of the anticoagulant and lipolytic effects after intravenous injection of various 35 S-radiolabelled heparin fractions and their relationship with the disappearance of the radiolabel are described in chapter IV. Chapter V gives a description of the kinetics of two radiolabels after injection of in vitro formed complexes consisting of purified, 125 I-radiolabelled antithrombin III and various 35 S-radiolabelled heparin fractions. (Auth.)

  9. 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.)

  10. 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)

  11. Kinetic Interface

    DEFF Research Database (Denmark)

    2009-01-01

    A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises.......A kinetic interface for orientation detection in a video training system is disclosed. The interface includes a balance platform instrumented with inertial motion sensors. The interface engages a participant's sense of balance in training exercises....

  12. The Effect of Kinetic Energy on the Reactions of Nucleogenic Carbon Atoms with Hydrocarbons; Effet de l'Energie Cinetique sur les Reactions des Atomes de Carbone Nucleogeniques avec des Hydrocarbures; Ehffekt kineticheskoj ehnergii pri reaktsiyakh atomov yadernogenichesko- go ugleroda s uglevodorodami; Efecto de la Energia Cinetica en las Reacciones de Atomos Nucleogenos de Carbono con Hidrocarburos

    Energy Technology Data Exchange (ETDEWEB)

    Dubrin, J.; Rosenberg, H.; Wolfgang, R. [Sterling Chemistry Laboratory, Yale University, New Haven, CT (United States); MacKay, C. [Haverford College, Haverford, PA (United States)

    1965-04-15

    The basic technique for studying the effect of kinetic energy on reactions of C atoms produced by nuclear transformation involves the well-known method of moderation with inert gases. However, this can be combined with other techniques such as (1) the use of scavengers to detect processes involving long- lived radicals, (2) degradative studies that serve to fix the position occupied by the labelled atom, (3) double tracer studies in which a reactant is partially labelled with deuterium and the isotopic composition of the labelled products is determined in order to establish the origin of the hydrogen which they contain. In this paper new results on product yields in two systems, neon-ethylene and neon-ethane, will be presented, and the relation of these results to other work involving degradative studies and double tracer experiments will be discussed. The discussion of the neon-ethylene results is in terms of the two previously postulated insertion mechanisms, insertion of the C atom into the C = C and into the C-H bonds to give C-C{sub 2}H{sub 4} adducts, As neon concentration is increased no product is eliminated, but the relative yields of products are altered markedly. Those products such as acetylene and vinyl acetylene which can be formed from the initial C-C{sub 2}H{sub 4} adducts via processes with a high energy requirement decrease in importance, and the yields of products formed in low energy processes, such as C{sub 5} compounds, increase. The ethane pattern is similar. Degradative studies have already shown that the intramolecular C{sup 11} distribution in allene and methyl- acetylene formed from ethylene is affected by neon moderation. These results imply both participation of the C = C and C-H bonds in formation of these products, and a dependence of the ratio of attack at the two bond types on the kinetic energy of the reacting C atom. Other work involving double tracer studies on acetylene formation from single molecules such as CH{sub 2}CD{sub 2

  13. 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

  14. 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.

  15. 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

  16. 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.)

  17. Kinetics and

    Directory of Open Access Journals (Sweden)

    Mojtaba Ahmadi

    2016-11-01

    Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.

  18. 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...

  19. Granulocyte kinetics

    International Nuclear Information System (INIS)

    Peters, A.M.; Lavender, J.P.; Saverymuttu, S.H.

    1985-01-01

    By using density gradient materials enriched with autologous plasma, the authors have been able to isolate granulocutes from other cellular elements and label them with In-111 without separation from a plasma environment. The kinetic behavior of these cells suggests that phenomena attributed to granulocyte activation are greatly reduced by this labeling. Here, they review their study of granulocyte kinetics in health and disease in hope of quantifying sites of margination and identifying principal sites of destruction. The three principle headings of the paper are distribution, life-span, and destruction

  20. Deuteration kinetics of the graphene

    Energy Technology Data Exchange (ETDEWEB)

    Nefedov, Alexei; Woell, Christof [KIT, Leopoldshafen (Germany); Paris, Alessio; Calliari, Lucia [FBK-CMM, Trento (Italy); Verbitskiy, Nikolay [MSU, Moscow (Russian Federation); University of Vienna, Vienna (Austria); Wang, Ying; Irle, Stephan [Nagoya University, Nagoya (Japan); Fedorov, Alexander [IFW Dresden, Dresden (Germany); St. Petersburg University, St. Petersburg (Russian Federation); Haberer, Danny; Knupfer, Martin; Buechner, Bernd [IFW Dresden, Dresden (Germany); Oetzelt, Martin [BESSY II, Berlin (Germany); Petaccia, Luca [Elettra, Trieste (Italy); Usachov, Dmitry [St. Petersburg University, St. Petersburg (Russian Federation); Vyalikh, Denis [St. Petersburg University, St. Petersburg (Russian Federation); TU Dresden, Dresden (Germany); Sagdev, Hermann [MPI fuer Polymerforschung, Mainz (Germany); Yashina, Lada [MSU, Moscow (Russian Federation); Grueneis, Alexander [IFW Dresden, Dresden (Germany); University of Vienna, Vienna (Austria)

    2013-07-01

    The kinetics of the hydrogenation/deuteration reaction of graphene was studied by time-dependent x-ray photoemission spectroscopy (XPS). The graphene layer was then exposed to hydrogen or deuterium atomic gas beams, obtained by thermal cracking in a tungsten capillary at T=3000 K. After each step XPS of the C1s line was performed in order to measure H/C and D/C ratios. We have observed a strong kinetic isotope effect for the hydrogenation/deuteration reaction leading to substantially faster adsorption and higher maximum D/C ratios as compared to H/C (D/C 35% vs. H/C 25%).

  1. 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.)

  2. 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

  3. Cascade Processes in Muonic Hydrogen Atoms

    International Nuclear Information System (INIS)

    Faifman, M. P.; Men'Shikov, L. I.

    2001-01-01

    The QCMC scheme created earlier for cascade calculations in heavy hadronic atoms of hydrogen isotopes has been modified and applied to the study of cascade processes in the μp muonic hydrogen atoms. The distribution of μp atoms over kinetic energies has been obtained and the yields of K-series X-rays per one stopped muon have been calculated.Comparison with experimental data indicated directly that for muonic and pionic atoms new types of non-radiative transitions are essential, while they are negligible for heavy (kaonic, antiprotonic, etc.) atoms. These processes have been considered and their probabilities have been estimated.

  4. Selective hydrogen atom abstraction by hydrogen atoms in photolysis and radiolysis of alkane mixtures at 770 K

    International Nuclear Information System (INIS)

    Miyazaki, T.; Kinugawa, K.; Eguchi, M.; Guedes, S.M.L.

    1977-01-01

    Selective hydrogen atom abstraction reaction by H atoms, has been found in Isobutane, 2,2,3,3-tetramethylbutane(TMB), cyclopropane matrices besides neopentane matrix. The selective hydrogen atom abstraction reaction in neopentane-isobutane mixture is affected by the difference of kinetic energies of H atoms. The reaction occurs more favorably with decreasing the kinetic energy of H atoms. Competitive reaction between c-C 6 H 12 and Hi for H atoms has been studied in the radiolysis and photolysis of neo-C 5 H 12 HI mixture at 77 K. The rate constants of these reactions in neopentane matrix are quite different from these of thermal H atom reaction, but similar to those of hot H atom reaction. Importance of the selective hydrogen atom abstraction reaction by H atoms is pointed out in the radical formation in the radiolysis of pure TMB at 77 K [pt

  5. Early Atomism

    Indian Academy of Sciences (India)

    https://www.ias.ac.in/article/fulltext/reso/015/10/0905-0925. Keywords. Atomic theory; Avogadro's hypothesis; atomic weights; periodic table; valence; molecular weights; molecular formula; isomerism. Author Affiliations. S Ramasesha1. Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, ...

  6. Atom spectroscopy

    International Nuclear Information System (INIS)

    Kodling, K.

    1981-01-01

    Experiments on atom photoabsorption spectroscopy using synchrotron radiation in the 10-1000 eV range are reviewed. Properties of the necessary synchrotron radiation and the experiment on absorption spectroscopy are briefly described. Comparison with other spectroscopy methods is conducted. Some data on measuring photoabsorption, photoelectron emission and atom mass spectra are presented [ru

  7. Exotic atoms

    International Nuclear Information System (INIS)

    Horvath, D.; Lambrecht, R.M.

    1984-01-01

    This bibliography on exotic atoms covers the years 1939 till 1982. The annual entries are headed by an introduction describing the state of affairs of the branch of science and listing the main applications in quantum electrodynamics, particle physics, nuclear physics, atomic physics, chemical physics and biological sciences. The bibliography includes an author index and a subject index. (Auth.)

  8. Laser-cooling and electromagnetic trapping of neutral atoms

    International Nuclear Information System (INIS)

    Phillips, W.D.; Migdall, A.L.; Metcalf, H.J.

    1986-01-01

    Until recently it has been impossible to confine and trap neutral atoms using electromagnetic fields. While many proposals for such traps exist, the small potential energy depth of the traps and the high kinetic energy of available atoms prevented trapping. We review various schemes for atom trapping, the advances in laser cooling of atomic beams which have now made trapping possible, and the successful magnetic trapping of cold sodium atoms

  9. Physisorption kinetics

    CERN Document Server

    Kreuzer, Hans Jürgen

    1986-01-01

    This monograph deals with the kinetics of adsorption and desorption of molecules physisorbed on solid surfaces. Although frequent and detailed reference is made to experiment, it is mainly concerned with the theory of the subject. In this, we have attempted to present a unified picture based on the master equation approach. Physisorption kinetics is by no means a closed and mature subject; rather, in writing this monograph we intended to survey a field very much in flux, to assess its achievements so far, and to give a reasonable basis from which further developments can take off. For this reason we have included many papers in the bibliography that are not referred to in the text but are of relevance to physisorption. To keep this monograph to a reasonable size, and also to allow for some unity in the presentation of the material, we had to omit a number of topics related to physisorption kinetics. We have not covered to any extent the equilibrium properties of physisorbed layers such as structures, phase tr...

  10. Atomic transport properties

    International Nuclear Information System (INIS)

    Freyss, M.

    2015-01-01

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

  11. 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.)

  12. 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.

  13. Mechanisms and energetics of surface atomic processes

    International Nuclear Information System (INIS)

    Tsong, T.T.

    1991-01-01

    The energies involved in various surface atomic processes such as surface diffusion, the binding of small atomic clusters on the surface, the interaction between two adsorbed atoms, the dissociation of an atom from a small cluster or from a surface layer, the binding of kink size atoms or atoms at different adsorption sites to the surface etc., can be derived from an analysis of atomically resolved field ion microscope images and a kinetic energy measurement of low temperature field desorbed ions using the time-of-flight atom-probe field ion microscope. These energies can be used to compare with theories and to understand the transport of atoms on the surface in atomic reconstructions, epitaxial growth of surface layers and crystal growth, adsorption layer superstructure formation, and also why an atomic ordering or atomic reconstruction at the surface is energetically favored. Mechanisms of some of the surface atomic processes are also clarified from these quantitative, atomic resolution studies. In this paper work in this area is bris briefly reviewed

  14. Electromagnetic trapping of neutral atoms

    International Nuclear Information System (INIS)

    Metcalf, H.J.

    1986-01-01

    Cooling and trapping of neutral atoms is a new branch of applied physics that has potential for application in many areas. The authors present an introduction to laser cooling and magnetic trapping. Some basic ideas and fundamental limitations are discussed, and the first successful experiments are reviewed. Trapping a neutral object depends on the interaction between an inhomogeneous electromagnetic field and a multiple moment that results in the exchange of kinetic for potential energy. In neutral atom traps, the potential energy must be stored as internal atomic energy, resulting in two immediate and extremely important consequences. First, the atomic energy levels will necessarily shift as the atoms move in the trap, and, second, practical traps for ground state neutral atoms atr necessarily very shallow compared to thermal energy. This small depth also dictates stringent vacuum requirements because a trapped atom cannot survive a single collision with a thermal energy background gas molecule. Neutral trapping, therefore, depends on substantial cooling of a thermal atomic sample and is inextricably connected with the cooling process

  15. Stochastic kinetics

    International Nuclear Information System (INIS)

    Colombino, A.; Mosiello, R.; Norelli, F.; Jorio, V.M.; Pacilio, N.

    1975-01-01

    A nuclear system kinetics is formulated according to a stochastic approach. The detailed probability balance equations are written for the probability of finding the mixed population of neutrons and detected neutrons, i.e. detectrons, at a given level for a given instant of time. Equations are integrated in search of a probability profile: a series of cases is analyzed through a progressive criterium. It tends to take into account an increasing number of physical processes within the chosen model. The most important contribution is that solutions interpret analytically experimental conditions of equilibrium (moise analysis) and non equilibrium (pulsed neutron measurements, source drop technique, start up procedures)

  16. 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

  17. Concept of APDL, the atomic process description language

    International Nuclear Information System (INIS)

    Sasaki, Akira

    2004-01-01

    The concept of APDL, the Atomic Process Description Language, which provides simple and complete description of atomic model is presented. The syntax to describe electron orbital and configuration is defined for the use in the atomic structure, kinetics and spectral synthesis simulation codes. (author)

  18. Atomic data on inelastic processes in low-energy manganese-hydrogen collisions

    Science.gov (United States)

    Belyaev, Andrey K.; Voronov, Yaroslav V.

    2017-10-01

    Aims: The aim of this paper is to calculate cross sections and rate coefficients for inelastic processes in low-energy Mn + H and Mn+ + H- collisions, especially, for processes with high and moderate rate coefficients. These processes are required for non-local thermodynamic equilibrium (non-LTE) modeling of manganese spectra in cool stellar atmospheres, and in particular, for metal-poor stars. Methods: The calculations of the cross sections and the rate coefficients were performed by means of the quantum model approach within the framework of the Born-Oppenheimer formalism, that is, the asymptotic semi-empirical method for the electronic MnH molecular structure calculation followed by the nonadiabatic nuclear dynamical calculation by means of the multichannel analytic formulas. Results: The cross sections and the rate coefficients for low-energy inelastic processes in manganese-hydrogen collisions are calculated for all transitions between 21 low-lying covalent states and one ionic state. We show that the highest values of the cross sections and the rate coefficients correspond to the mutual neutralization processes into the final atomic states Mn(3d54s(7S)5s e 6S), Mn(3d54s(7S)5p y 8P°), Mn(3d54s(7S)5s e 8S), Mn(3d54s(7S)4d e 8D) [the first group], the processes with the rate coefficients (at temperature T = 6000 K) of the values 4.38 × 10-8, 2.72 × 10-8, 1.98 × 10-8, and 1.59 × 10-8 cm3/ s, respectively, that is, with the rate coefficients exceeding 10-8 cm3/ s. The processes with moderate rate coefficients, that is, with values between 10-10 and 10-8 cm3/ s include many excitation, de-excitation, mutual neutralization and ion-pair formation processes. In addition to other processes involving the atomic states from the first group, the processes from the second group include those involving the following atomic states: Mn(3d5(6S)4s4p (1P°) y 6P°), Mn(3d54s(7S)4d e 6D), Mn(3d54s(7S)5p w 6P°), Mn(3d5(4P)4s4p (3P°) y 6D°), Mn(3d5(4G)4s4p (3P°) y 6F

  19. Atomic interferometry

    International Nuclear Information System (INIS)

    Baudon, J.; Robert, J.

    2004-01-01

    Since the theoretical works of L. De Broglie (1924) and the famous experiment of Davisson and Germer (1927), we know that a wave is linked with any particle of mass m by the relation λ = h/(mv), where λ is the wavelength, v the particle velocity and h is the Planck constant. The basic principle of the interferometry of any material particle, atom, molecule or aggregate is simple: using a simple incident wave, several mutually consistent waves (with well-defined relative phases) are generated and controllable phase-shifts are introduced between them in order to generate a wave which is the sum of the previous waves. An interference figure is obtained which consists in a succession of dark and bright fringes. The atomic interferometry is based on the same principle but involves different techniques, different wave equations, but also different beams, sources and correlations which are described in this book. Because of the small possible wavelengths and the wide range of possible atomic interactions, atomic interferometers can be used in many domains from the sub-micron lithography to the construction of sensors like: inertial sensors, gravity-meters, accelerometers, gyro-meters etc. The first chapter is a preliminary study of the space and time diffraction of atoms. The next chapters is devoted to the description of slit, light separation and polarization interferometers, and the last chapter treats of the properties of Bose-Einstein condensates which are interesting in atomic interferometry. (J.S.)

  20. Tolrestat kinetics

    International Nuclear Information System (INIS)

    Hicks, D.R.; Kraml, M.; Cayen, M.N.; Dubuc, J.; Ryder, S.; Dvornik, D.

    1984-01-01

    The kinetics of tolrestat, a potent inhibitor of aldose reductase, were examined. Serum concentrations of tolrestat and of total 14 C were measured after dosing normal subjects and subjects with diabetes with 14 C-labeled tolrestat. In normal subjects, tolrestat was rapidly absorbed and disappearance from serum was biphasic. Distribution and elimination t 1/2s were approximately 2 and 10 to 12 hr, respectively, after single and multiple doses. Unchanged tolrestat accounted for the major portion of 14 C in serum. Radioactivity was rapidly and completely excreted in urine and feces in an approximate ratio of 2:1. Findings were much the same in subjects with diabetes. In normal subjects, the kinetics of oral tolrestat were independent of dose in the 10 to 800 mg range. Repetitive dosing did not result in unexpected cumulation. Tolrestat was more than 99% bound to serum protein; it did not compete with warfarin for binding sites but was displaced to some extent by high concentrations of tolbutamide or salicylate

  1. Atomic politics

    International Nuclear Information System (INIS)

    Skogmar, G.

    1979-01-01

    The authors basic point is that the military and civil sides of atomic energy cannot be separated. The general aim of the book is to analyze both the military and civil branches, and the interdependence between them, of American foreign policy in the atomic field. Atomic policy is seen as one of the most important imstruments of foreign policy which, in turn, is seen against the background of American imperialism in general. Firstly, the book investigates the most important means by which the United States has controlled the development in the nuclear field in other countries. These means include influencing the conditions of access to nuclear resources of various kinds, influencing the flow of technical-economic information and influencing international organizations and treaties bearing on atomic energy. The time period treated is 1945-1973. 1973 is chosen as the end-year of the study mainly because of the new conditions in the whole energy field initiated by the oil crisis in that year. The sources of the empirical work are mainly hearings before the Joint Committee on Atomic Energy of the U.S. Congress and legal material of various kinds. Secondly, the goals of the American policy are analyzed. The goals identified are armament effect, non-proliferation (horizontal), sales, and energy dependence. The relation between the main goals is discussed.The discussion is centered on the interdependence between the military and the civil aspects, conflict and coincidence of various goals, the relation between short-term and long-term goals, and the possibilities of using one goal as pretext for another. Thirdly, some causes of the changes in the atomic policy around 1953 and 1963 are identified. These are the strategic balance, the competitive situation, the capacity (of the American atomic productive apparatus), and the nuclear technological stage. The specific composition of these four factors at the two time-points can explain the changes of policy. (author)

  2. Atomic secrecy

    International Nuclear Information System (INIS)

    Sweet, W.

    1979-01-01

    An article, The H-Bomb Secret: How We Got It, Why We're Telling It, by Howard Morland was to be published in The Progressive magazine in February, 1979. The government, after learning of the author's and the editors' intention to publish the article and failing to persuade them to voluntarily delete about 20% of the text and all of the diagrams showing how an H-bomb works, requested a court injunction against publication. Acting under the Atomic Energy Act of 1954, US District Court Judge Robert W. Warren granted the government's request on March 26. Events dealing with the case are discussed in this publication. Section 1, Progressive Hydrogen Bomb Case, is discussed under the following: Court Order Blocking Magazine Report; Origins of the Howard Morland Article; Author's Motives, Defense of Publication; and Government Arguments Against Disclosure. Section 2, Access to Atomic Data Since 1939, contains information on need for secrecy during World War II; 1946 Atomic Energy Act and its effects; Soviet A-Bomb and the US H-Bomb; and consequences of 1954 Atomic Energy Act. Section 3, Disputed Need for Atomic Secrecy, contains papers entitled: Lack of Studies on H-Bomb Proliferation; Administration's Position on H-Bombs; and National Security Needs vs Free Press

  3. Antimatter atoms

    International Nuclear Information System (INIS)

    Anon.

    1996-01-01

    In january 1996, CERN broadcasted the information of the creation of nine anti-hydrogen atoms, observed through disintegration products. The experimental facility was CERN LEAR ring. An antiproton beam scattered a xenon jet, and the resulting antimatter was first selected by its insensitivity to beam bending magnets. Their disintegration was detected in thin NaI detectors, in which the anti-atoms are at once deprived from their positron. Then, magnetic and time-of-flight spectrometers are used. (D.L.)

  4. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

    Summarising the most novel facts and theories which were coming into prominence at the time, particularly those which had not yet been incorporated into standard textbooks, this important work was first published in 1921. The subjects treated cover a wide range of research that was being conducted into the atom, and include Quantum Theory, the Bohr Theory, the Sommerfield extension of Bohr's work, the Octet Theory and Isotopes, as well as Ionisation Potentials and Solar Phenomena. Because much of the material of Atomic Theories lies on the boundary between experimentally verified fact and spec

  5. Atoms stories

    International Nuclear Information System (INIS)

    Radvanyi, P.; Bordry, M.

    1988-01-01

    Physicists from different countries told each evening during one learning week, to an audience of young people, some great discoveries in evoking the difficulties and problems to which the researchers were confronted. From Antiquity to a more recent history, it is a succession of atoms stories. (N.C.)

  6. Atomic physics

    International Nuclear Information System (INIS)

    Held, B.

    1991-01-01

    This general book describes the change from classical physics to quantum physics. The first part presents atom evolution since antiquity and introduces fundamental quantities and elements of relativity. Experiments which have contributed to the evolution of knowledge on matter are analyzed in the second part. Applications of wave mechanics to the study of matter properties are presented in the third part [fr

  7. Kinetic equation of heterogeneous catalytic isotope exchange

    Energy Technology Data Exchange (ETDEWEB)

    Trokhimets, A I [AN Belorusskoj SSR, Minsk. Inst. Fiziko-Organicheskoj Khimii

    1979-12-01

    A kinetic equation is derived for the bimolecular isotope exchange reaction between AXsub(n)sup(*) and BXsub(m)sup(o), all atoms of element X in each molecule being equivalent. The equation can be generalized for homogeneous and heterogeneous catalytic isotope exchange.

  8. Non-LTE modelling of prominence fine structures using hydrogen Lyman-line profiles

    Czech Academy of Sciences Publication Activity Database

    Schwartz, Pavol; Gunár, S.; Curdt, W.

    2015-01-01

    Roč. 577, May (2015), A92/1-A92/10 ISSN 0004-6361 R&D Projects: GA ČR GAP209/12/0906 Grant - others:SAV(SK) VEGA 2/0108/12 Institutional support: RVO:67985815 Keywords : Sun * filaments * prominences Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 4.378, year: 2014

  9. Non-LTE H2+ as the source of missing opacity in the solar atmosphere

    Science.gov (United States)

    Swamy, K. S. K.; Stecher, T. P.

    1974-01-01

    The population of the various vibrational levels of the H2+ molecule has been calculated from the consideration of formation and destruction mechanisms. The resulting population is used in calculating the total absorption due to H2+ and is compared with the other known sources of opacity at several optical depths of the solar atmosphere. It is shown that the absorption due to H2+ can probably account for the missing ultraviolet opacity in the solar atmosphere.

  10. Non-LTE model calculations for SN 1987A and the extragalactic distance scale

    Science.gov (United States)

    Schmutz, W.; Abbott, D. C.; Russell, R. S.; Hamann, W.-R.; Wessolowski, U.

    1990-01-01

    This paper presents model atmospheres for the first week of SN 1987A, based on the luminosity and density/velocity structure from hydrodynamic models of Woosley (1988). The models account for line blanketing, expansion, sphericity, and departures from LTE in hydrogen and helium and differ from previously published efforts because they represent ab initio calculations, i.e., they contain essentially no free parameters. The formation of the UV spectrum is dominated by the effects of line blanketing. In the absorption troughs, the Balmer line profiles were fit well by these models, but the observed emissions are significantly stronger than predicted, perhaps due to clumping. The generally good agreement between the present synthetic spectra and observations provides independent support for the overall accuracy of the hydrodynamic models of Woosley. The question of the accuracy of the Baade-Wesselink method is addressed in a detailed discussion of its approximations. While the application of the standard method produces a distance within an uncertainty of 20 percent in the case of SN 1987A, systematic errors up to a factor of 2 are possible, particularly if the precursor was a red supergiant.

  11. A non-LTE model for the Jovian methane infrared emissions at high spectral resolution

    Science.gov (United States)

    Halthore, Rangasayi N.; Allen, J. E., Jr.; Decola, Philip L.

    1994-01-01

    High resolution spectra of Jupiter in the 3.3 micrometer region have so far failed to reveal either the continuum or the line emissions that can be unambiguously attributed to the nu(sub 3) band of methane (Drossart et al. 1993; Kim et al. 1991). Nu(sub 3) line intensities predicted with the help of two simple non-Local Thermodynamic Equilibrium (LTE) models -- a two-level model and a three-level model, using experimentally determined relaxation coefficients, are shown to be one to three orders of magnitude respectively below the 3-sigma noise level of these observations. Predicted nu(sub 4) emission intensities are consistent with observed values. If the methane mixing ratio below the homopause is assumed as 2 x 10(exp -3), a value of about 300 K is derived as an upper limit to the temperature of the high stratosphere at microbar levels.

  12. X-ray emission from hydrodynamical simulations in non-LTE wind models

    Czech Academy of Sciences Publication Activity Database

    Krtička, J.; Feldmeier, A.; Oskinova, L.M.; Kubát, Jiří; Hamann, W.-R.

    2009-01-01

    Roč. 508, č. 2 (2009), s. 841-848 ISSN 0004-6361 R&D Projects: GA ČR GA205/08/0003 Institutional research plan: CEZ:AV0Z10030501 Keywords : stars * winds * outflows Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 4.179, year: 2009

  13. Non-LTE diagnostics of velocity fields during the gradual phase of a solar flare

    Czech Academy of Sciences Publication Activity Database

    Berlicki, A.; Heinzel, Petr; Schmieder, B.; Mein, P.; Mein, N.

    2005-01-01

    Roč. 430, č. 2 (2005), s. 679-689 ISSN 0004-6361 R&D Projects: GA AV ČR IAA3003203 Institutional research plan: CEZ:AV0Z10030501 Keywords : Sun * flares * chromosphere – Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 4.223, year: 2005

  14. Non-LTE spectral analysis and model constraints on SN 1993J

    Science.gov (United States)

    Baron, E.; Hauschildt, P. H.; Branch, D.; Austin, S.; Garnavich, P.; Ann, Hong Bae; Wagner, R. M.; Filippenko, A. V.; Matheson, T.; Liebert, James

    1995-01-01

    We present non-Local Thermodynamic Equilibrium (LTE) synthetic spectra for a time series of observations of SN 1993J obtained on 1993 March 30-31, April 7, April 13-15, and June 13 UT. The spectra are dominated by hydrogen Balmer lines; neutral helium lines, which have been nonthermally excited; and Fe II features. The density profile evolves from an extremely steep 'brick wall' structure with an equivalent power-law index of about 50 on March 30 to a more typical SN II profile with a power law index of about 10. The early spectra are well fitted by a solar composition of metals, although an enhanced abundance of helium is required in order to fit the neutral helium lines. By June 13, the photosphere has receded deep into the helium layer, although there appears to be a layer of hydrogen at higher velocity. The distance is estimated for each epoch. While consistent results are found for spectra obtained in the month of April, the spread in distances from March to June is quite large. Our value for April is mu = 28.0 +/- 0.3 mag, consistent with the recent Cepheid distance to the host galaxy M81. We also compare our results to other implementations of the expanding photosphere method.

  15. Acoustic waves in the solar atmosphere. VII - Non-grey, non-LTE H(-) models

    Science.gov (United States)

    Schmitz, F.; Ulmschneider, P.; Kalkofen, W.

    1985-01-01

    The propagation and shock formation of radiatively damped acoustic waves in the solar chromosphere are studied under the assumption that H(-) is the only absorber; the opacity is non-grey. Deviations from local thermodynamic equilibrium (LTE) are permitted. The results of numerical simulations show the depth dependence of the heating by the acoustic waves to be insensitive to the mean state of the atmosphere. After the waves have developed into shocks, their energy flux decays exponentially with a constant damping length of about 1.4 times the pressure scale height, independent of initial flux and wave period. Departures from LTE have a strong influence on the mean temperature structure in dynamical chromosphere models; this is even more pronounced in models with reduced particle density - simulating conditions in magnetic flux tubes - which show significantly increased temperatures in response to mechanical heating. When the energy dissipation of the waves is sufficiently large to dissociate most of the H(-) ions, a strong temperature rise is found that is reminiscent of the temperature structure in the transition zone between chromosphere and corona; the energy flux remaining in the waves then drives mass motions.

  16. Influence of non-LTE radiation ablation on imploding neutron yield

    International Nuclear Information System (INIS)

    Sheng Jiatian; Li Yunsheng; Gao Yaomin; Li Meng; Feng Tinggui; Zhang Lifa; Zeng Xiancai; Mou Wenyong; Feng Jie; Chen Jiabin

    2005-01-01

    The process of radiative ablation and neutron yields of DD-capsule with CH shell implosion driven by Plank spectrum and nonequilibrium spectrum radiation fields was numerically studied using 1-D RDMG code of multigroup-nonequilibrium radiation hydrodynamics. The simulation results were compared with the experimental results. The results of the simulation show that the nonequilibrium of energy spectrum distribution of the hohlraum radiation source, especially the M-band of it, will preheat DD in the capsule obviously, decrease the compressing ratio, electron and ion temperatures of DD gas, and therefore decrease the neutron yields markedly. The simulation results also show that the law of decreasing of neutron yields with increasing of the CH-sell thickness is in agreement with the experiment basically. (authors)

  17. Physics of Solar Prominences: I-Spectral Diagnostics and Non-LTE Modelling

    Czech Academy of Sciences Publication Activity Database

    Labrosse, N.; Heinzel, Petr; Vial, J. C.; Kucera, T.; Parenti, S.; Gunár, Stanislav; Schmieder, B.; Kilper, G.

    2010-01-01

    Roč. 151, č. 4 (2010), s. 243-332 ISSN 0038-6308 R&D Projects: GA ČR GA205/07/1100 Grant - others:ESA(XE) ESA- PECS project No. 98030 Institutional research plan: CEZ:AV0Z10030501 Keywords : solar prominences * spectroscopy * radiative transfer Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 4.433, year: 2010

  18. Non-LTE equivalent widths for Si II, III and IV

    International Nuclear Information System (INIS)

    Becker, S.R.; Butler, K.

    1990-01-01

    Equivalent widths for a set of Si II, III and IV lines reliable for the determination of temperatures in the B star parameter range are given. They are calculated on a fine grid of LTE line blanketed model atmospheres and lie in the wavelength region from 4070 A to 5070 A

  19. Magnetic trapping of cold bromine atoms.

    Science.gov (United States)

    Rennick, C J; Lam, J; Doherty, W G; Softley, T P

    2014-01-17

    Magnetic trapping of bromine atoms at temperatures in the millikelvin regime is demonstrated for the first time. The atoms are produced by photodissociation of Br2 molecules in a molecular beam. The lab-frame velocity of Br atoms is controlled by the wavelength and polarization of the photodissociation laser. Careful selection of the wavelength results in one of the pair of atoms having sufficient velocity to exactly cancel that of the parent molecule, and it remains stationary in the lab frame. A trap is formed at the null point between two opposing neodymium permanent magnets. Dissociation of molecules at the field minimum results in the slowest fraction of photofragments remaining trapped. After the ballistic escape of the fastest atoms, the trapped slow atoms are lost only by elastic collisions with the chamber background gas. The measured loss rate is consistent with estimates of the total cross section for only those collisions transferring sufficient kinetic energy to overcome the trapping potential.

  20. Atmospheric chemistry of HFE-7000 (CF(3)CF (2)CF (2)OCH (3)) and 2,2,3,3,4,4,4-heptafluoro-1-butanol (CF (3)CF (2)CF (2)CH (2)OH): kinetic rate coefficients and temperature dependence of reactions with chlorine atoms.

    Science.gov (United States)

    Díaz-de-Mera, Yolanda; Aranda, Alfonso; Bravo, Iván; Rodríguez, Diana; Rodríguez, Ana; Moreno, Elena

    2008-10-01

    The adverse environmental impacts of chlorinated hydrocarbons on the Earth's ozone layer have focused attention on the effort to replace these compounds by nonchlorinated substitutes with environmental acceptability. Hydrofluoroethers (HFEs) and fluorinated alcohols are currently being introduced in many applications for this purpose. Nevertheless, the presence of a great number of C-F bonds drives to atmospheric long-lived compounds with infrared absorption features. Thus, it is necessary to improve our knowledge about lifetimes and global warming potentials (GWP) for these compounds in order to get a complete evaluation of their environmental impact. Tropospheric degradation is expected to be initiated mainly by OH reactions in the gas phase. Nevertheless, Cl atoms reaction may also be important since rate constants are generally larger than those of OH. In the present work, we report the results obtained in the study of the reactions of Cl radicals with HFE-7000 (CF(3)CF(2)CF(2)OCH(3)) (1) and its isomer CF(3)CF(2)CF(2)CH(2)OH (2). Kinetic rate coefficients with Cl atoms have been measured using the discharge flow tube-mass spectrometric technique at 1 Torr of total pressure. The reactions of these chlorofluorocarbons (CFCs) substitutes have been studied under pseudo-first-order kinetic conditions in excess of the fluorinated compounds over Cl atoms. The temperature ranges were 266-333 and 298-353 K for reactions of HFE-7000 and CF(3)CF(2)CF(2)CH(2)OH, respectively. The measured room temperature rate constants were k(Cl+CF(3)CF(2)CF(2)OCH(3)) = (1.24 +/- 0.28) x 10(-13) cm(3) molecule(-1) s(-1)and k(Cl+CF(3)CF(2)CF(2)CH(2)OH) = (8.35 +/- 1.63) x 10(-13) cm(3) molecule(-1) s(-1) (errors are 2sigma + 10% to cover systematic errors). The Arrhenius expression for reaction 1 was k (1)(266-333 K) = (6.1 +/- 3.8) x 10(-13)exp[-(445 +/- 186)/T] cm(3) molecule(-1) s(-1) and k (2)(298-353 K) = (1.9 +/- 0.7) x 10(-12)exp[-(244 +/- 125)/T] cm(3) molecule(-1) s(-1) (errors

  1. Formation of fast exotic atoms by radiative Coulomb capture

    International Nuclear Information System (INIS)

    Chatterjee, L.; Das, G.; Chakravorty, A.; Goswami, R.; Mondal, S.K.

    1993-01-01

    Interesting surprises in some exotic atom kinetics have been reported recently. These involve muonic atom transfer cross sections, nuclear pion capture and the q 1s effect in μCF. These can be explained if the exotic atom population contains a contributing fast component. Such fast atoms can be formed by radiative continuum to bound transitions of fast (keV) muons or pions. Cross sections for formation of such fast pionic and muonic atoms and their velocity distributions are reported. The possibility of these processes competing with the thermalisation channels and contributing effectively to the exotic atom population discussed. (orig.)

  2. Hot oxygen atoms: Their generation and chemistry

    International Nuclear Information System (INIS)

    Ferrieri, R.A.; Chu, Yung Y.; Wolf, A.P.

    1987-01-01

    Oxygen atoms with energies between 1 and 10 eV have been produced through ion beam sputtering from metal oxide targets. Argon ion beams were used on Ta 2 O 5 and V 2 O 5 . Results show that some control may be exerted over the atom's kinetic energy by changing the target. Reactions of the hot O( 3 P) with cis- and trans-butenes were investigated

  3. Energy Conservation Tests of a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    Energy Technology Data Exchange (ETDEWEB)

    Stotler, D. P.; Chang, C. S.; Ku, S. H.; Lang, J.; Park, G.

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

  5. Dislocation kinetics and the acoustic-wave approximation for liquids

    International Nuclear Information System (INIS)

    Stout, R.B.

    1983-03-01

    A dislocation-dependent model for liquids describes the lattice deformation and the fluidity deformation as additive deformations. The lattice deformation represents distortions of an atom's potential energy structure and is a recoverable deformation response. The fluidity deformation represents discontinuous repositioning of atoms by dislocation kinetics in the lattice structure and is a nonrecoverable deformation response. From this model, one concludes that in liquids the acoustic-wave approximation is a description of a recoverable oscillation deformation that has dissipation because of dislocation kinetics. Other more-complex waves may exist, but such waves would rapidly disappear because of the small thermodynamic potential for dislocation kinetics in liquids

  6. 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)

  7. Fundamental aspects of plasma chemical physics kinetics

    CERN Document Server

    Capitelli, Mario; Colonna, Gianpiero; Esposito, Fabrizio; Gorse, Claudine; Hassouni, Khaled; Laricchiuta, Annarita; Longo, Savino

    2016-01-01

    Describing non-equilibrium "cold" plasmas through a chemical physics approach, this book uses the state-to-state plasma kinetics, which considers each internal state as a new species with its own cross sections. Extended atomic and molecular master equations are coupled with Boltzmann and Monte Carlo methods to solve the electron energy distribution function. Selected examples in different applied fields, such as microelectronics, fusion, and aerospace, are presented and discussed including the self-consistent kinetics in RF parallel plate reactors, the optimization of negative ion sources and the expansion of high enthalpy flows through nozzles of different geometries. The book will cover the main aspects of the state-to-state kinetic approach for the description of nonequilibrium cold plasmas, illustrating the more recent achievements in the development of kinetic models including the self-consistent coupling of master equations and Boltzmann equation for electron dynamics. To give a complete portrayal, the...

  8. Exotic atoms

    International Nuclear Information System (INIS)

    Kunselman, R.

    1993-01-01

    The experiments use a solid hydrogen layer to form muonic hydrogen isotopes that escape into vacuum. The method relies on transfer of the muon from protium to either a deuteron or a triton. The resulting muonic deuterium or muonic tritium will not immediately thermalize because of the very low elastic cross sections, and may be emitted from the surface of the layer. Measurements which detect decay electrons, muonic x-rays, and fusion products have been used to study the processes. A target has been constructed which exploits muonic atom emission in order to learn more about the energy dependence of transfer and muon molecular formation

  9. Quasi-Bragg diffraction of atoms

    NARCIS (Netherlands)

    Domen, K.F.E.M.; Jansen, M.A.H.M.; Leeuwen, van K.A.H.

    2006-01-01

    We report on a novel atomic beamsplitter. It combines the advantages of Bragg scattering (transfer possible into a single, very high diffraction order due to adiabatic conservation of ‘transverse kinetic energy’) with the convenience of tuning the splitting angle simply by adjusting a magnetic

  10. 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.

  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. 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

  13. Atmospheric chemistry of CH3O(CF2CF2O)(n)CH3 (n=1-3): Kinetics and mechanism of oxidation initiated by Cl atoms and OH radicals, IR spectra, and global warmin potentials

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Hurley, MD; Wallington, TJ

    2004-01-01

    Smog chambers equipped with FTIR spectrometers were used to study the Cl atom and OH radical initiated oxidation of CH3O(CF2CF2O)(n)CH3 (n = 1-3) in 720 +/- 20 Torr of air at 296 +/- 3 K. Relative rate techniques were used to measure k(Cl + CH3O(CF2CF2O)(n)CH3) (3.7 +/- 10.7) x 10(-13) and k......(OH + CH3O(CF2CF2O)(n)CH3) = (2.9 +/- 0.5) x 10(-11) cm(3) molecule(-1) s(-1) leading to an estimated atmospheric lifetime of 2 years for CH3O(CF2CF2O),CH3. The Cl initiated oxidation of CH3O(CF2CF2O),CH3 in air diluent gives CH3O(CF2CF2O)(n)C(O)H in a yield which is indistinguishable from 100 Further...... oxidation leads to the diformate, H(O)CO(CF2CF2O)(n)C(O)H. A rate constant of k(Cl + CH3O(CF2CF2O)(n)CHO) = (1.81 +/- 0.36) x 10(-13) cm(3) molecule(-1) s-1 was determined. Quantitative infrared spectra for CH3O(CF2CF2O)(n)CH3 (n = 1-3) were recorded and used to estimate halocarbon global warming potentials...

  14. Quantum yield and translational energy of hydrogen atoms

    Indian Academy of Sciences (India)

    TECS

    erage kinetic energy of H atoms calculated from Doppler profiles was found to be ET(lab) = (50 ± 3) kJ/mol. The ... in this wavelength range H atoms are produced by ... tral hydrogen. 1,9 ... a spectral window of molecular oxygen, solar radia-.

  15. Cesium removal and kinetics equilibrium: Precipitation kinetics

    International Nuclear Information System (INIS)

    Barnes, M.J.

    1999-01-01

    This task consisted of both non-radioactive and radioactive (tracer) tests examining the influence of potentially significant variables on cesium tetraphenylborate precipitation kinetics. The work investigated the time required to reach cesium decontamination and the conditions that affect the cesium precipitation kinetics

  16. Alternative kinetic energy metrics for Lagrangian systems

    Science.gov (United States)

    Sarlet, W.; Prince, G.

    2010-11-01

    We examine Lagrangian systems on \\ {R}^n with standard kinetic energy terms for the possibility of additional, alternative Lagrangians with kinetic energy metrics different to the Euclidean one. Using the techniques of the inverse problem in the calculus of variations we find necessary and sufficient conditions for the existence of such Lagrangians. We illustrate the problem in two and three dimensions with quadratic and cubic potentials. As an aside we show that the well-known anomalous Lagrangians for the Coulomb problem can be removed by switching on a magnetic field, providing an appealing resolution of the ambiguous quantizations of the hydrogen atom.

  17. Aluminum corrosion product release kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Edwards, Matt, E-mail: Matthew.Edwards@cnl.ca; Semmler, Jaleh; Guzonas, Dave; Chen, Hui Qun; Toor, Arshad; Hoendermis, Seanna

    2015-07-15

    Highlights: • Release of Al corrosion product was measured in simulated post-LOCA sump solutions. • Increased boron was found to enhance Al release kinetics at similar pH. • Models of Al release as functions of time, temperature, and pH were developed. - Abstract: The kinetics of aluminum corrosion product release was examined in solutions representative of post-LOCA sump water for both pressurized water and pressurized heavy-water reactors. Coupons of AA 6061 T6 were exposed to solutions in the pH 7–11 range at 40, 60, 90 and 130 °C. Solution samples were analyzed by inductively coupled plasma atomic emission spectroscopy, and coupon samples were analyzed by secondary ion mass spectrometry. The results show a distinct “boron effect” on the release kinetics, expected to be caused by an increase in the solubility of the aluminum corrosion products. New models were developed to describe both sets of data as functions of temperature, time, and pH (where applicable)

  18. Examples how to use atomic and molecular databases

    International Nuclear Information System (INIS)

    Murakami, Izumi

    2012-01-01

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

  19. Plasma kinetic theory

    International Nuclear Information System (INIS)

    Elliott, J.A.

    1993-01-01

    Plasma kinetic theory is discussed and a comparison made with the kinetic theory of gases. The plasma is described by a modified set of fluid equations and it is shown how these fluid equations can be derived. (UK)

  20. Data mining for isotope discrimination in atom probe tomography

    Energy Technology Data Exchange (ETDEWEB)

    Broderick, Scott R. [Department of Materials Science and Engineering and Institute for Combinatorial Discovery, Iowa State University, Ames, IA 50011-2230 (United States); Bryden, Aaron [Ames National Laboratory, Ames, IA 50011-2230 (United States); Suram, Santosh K. [Department of Materials Science and Engineering and Institute for Combinatorial Discovery, Iowa State University, Ames, IA 50011-2230 (United States); Rajan, Krishna, E-mail: krajan@iastate.edu [Department of Materials Science and Engineering and Institute for Combinatorial Discovery, Iowa State University, Ames, IA 50011-2230 (United States)

    2013-09-15

    Ions with similar time-of-flights (TOF) can be discriminated by mapping their kinetic energy. While current generation position-sensitive detectors have been considered insufficient for capturing the isotope kinetic energy, we demonstrate in this paper that statistical learning methodologies can be used to capture the kinetic energy from all of the parameters currently measured by mathematically transforming the signal. This approach works because the kinetic energy is sufficiently described by the descriptors on the potential, the material, and the evaporation process within atom probe tomography (APT). We discriminate the isotopes for Mg and Al by capturing the kinetic energy, and then decompose the TOF spectrum into its isotope components and identify the isotope for each individual atom measured. This work demonstrates the value of advanced data mining methods to help enhance the information resolution of the atom probe. - Highlights: ► Atom probe tomography and statistical learning were combined for data enhancement. ► Multiple eigenvalue decompositions decomposed a spectrum with overlapping peaks. ► The isotope of each atom was determined by kinetic energy discrimination. ► Eigenspectra were identified and new chemical information was identified.

  1. 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.

  2. Atomic energy

    International Nuclear Information System (INIS)

    Ramanna, R.

    1978-01-01

    Development of nuclear science in India, particularly the research and development work at the Bhabha Atomic Research Centre (BARC), Bombay, is described. Among the wide range of materials developed for specific functions under rigorous conditions are nuclear pure grade uranium, zirconium and beryllium, and conventional materials like aluminium, carbon steel and stainless steels. Radioisotopes are produced and used for tracer studies in various fields. Various types of nuclear gauges and nuclear instruments are produced. Radiations have been used to develop new high yielding groundnut mutants with large kernals. The sterile male technique for pest control and radiosterilization technique to process potatoes, onions and marine foods for storage are ready for exploitation. Processes and equipment have been developed for production of electrolytic hydrogen, electrothermal phosphorus and desalinated water. Indigenously manufactured components and materials are now being used for the nuclear energy programme. Indian nuclear power programme strategy is to build heavy water reactors and to utilise their byproduct plutonium and depleted uranium to feed fast breeder reactors which will produce more fissile material than burnt. Finally a special mention has been made of the manpower development programme of the BARC. BARC has established a training school in 1957 giving advanced training in physics, chemistry and various branches of engineering and metallurgy

  3. 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

  4. Reaction kinetics of bond rotations in graphene

    KAUST Repository

    Skowron, Stephen T.; Koroteev, Victor O.; Baldoni, Matteo; Lopatin, Sergei; Zurutuza, Amaia; Chuvilin, Andrey; Besley, Elena

    2016-01-01

    The formation and healing processes of the fundamental topological defect in graphitic materials, the Stone-Wales (SW) defect, are brought into a chemical context by considering the rotation of a carbon-carbon bond as chemical reaction. We investigate the rates and mechanisms of these SW transformations in graphene at the atomic scale using transmission electron microscopy. We develop a statistical atomic kinetics formalism, using direct observations obtained under different conditions to determine key kinetic parameters of the reactions. Based on the obtained statistics we quantify thermally and irradiation induced routes, identifying a thermal process of healing with an activation energy consistent with predicted adatom catalysed mechanisms. We discover exceptionally high rates for irradiation induced SW healing, incompatible with the previously assumed mechanism of direct knock-on damage and indicating the presence of an efficient nonadiabatic coupling healing mechanism involving beam induced electronic excitations of the SW defect.

  5. Reaction kinetics of bond rotations in graphene

    KAUST Repository

    Skowron, Stephen T.

    2016-04-12

    The formation and healing processes of the fundamental topological defect in graphitic materials, the Stone-Wales (SW) defect, are brought into a chemical context by considering the rotation of a carbon-carbon bond as chemical reaction. We investigate the rates and mechanisms of these SW transformations in graphene at the atomic scale using transmission electron microscopy. We develop a statistical atomic kinetics formalism, using direct observations obtained under different conditions to determine key kinetic parameters of the reactions. Based on the obtained statistics we quantify thermally and irradiation induced routes, identifying a thermal process of healing with an activation energy consistent with predicted adatom catalysed mechanisms. We discover exceptionally high rates for irradiation induced SW healing, incompatible with the previously assumed mechanism of direct knock-on damage and indicating the presence of an efficient nonadiabatic coupling healing mechanism involving beam induced electronic excitations of the SW defect.

  6. Nonlocal kinetic-energy-density functionals

    International Nuclear Information System (INIS)

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

    1996-01-01

    In this paper we present nonlocal kinetic-energy functionals T[n] within the average density approximation (ADA) framework, which do not require any extra input when applied to any electron system and recover the exact kinetic energy and the linear response function of a homogeneous system. In contrast with previous ADA functionals, these present good behavior of the long-range tail of the exact weight function. The averaging procedure for the kinetic functional (averaging the Fermi momentum of the electron gas, instead of averaging the electron density) leads to a functional without numerical difficulties in the calculation of extended systems, and it gives excellent results when applied to atoms and jellium surfaces. copyright 1996 The American Physical Society

  7. Kinetics and spectroscopy of low temperature plasmas

    CERN Document Server

    Loureiro, Jorge

    2016-01-01

    This is a comprehensive textbook designed for graduate and advanced undergraduate students. Both authors rely on more than 20 years of teaching experience in renowned Physics Engineering courses to write this book addressing the students’ needs. Kinetics and Spectroscopy of Low Temperature Plasmas derives in a full self-consistent way the electron kinetic theory used to describe low temperature plasmas created in the laboratory with an electrical discharge, and presents the main optical spectroscopic diagnostics used to characterize such plasmas. The chapters with the theoretical contents make use of a deductive approach in which the electron kinetic theory applied to plasmas with basis on the electron Boltzmann equation is derived from the basic concepts of Statistical and Plasma Physics. On the other hand, the main optical spectroscopy diagnostics used to characterize experimentally such plasmas are presented and justified from the point of view of the Atomic and Molecular Physics. Low temperature plasmas...

  8. 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

  9. Simulations of atomic-scale sliding friction

    DEFF Research Database (Denmark)

    Sørensen, Mads Reinholdt; Jacobsen, Karsten Wedel; Stoltze, Per

    1996-01-01

    Simulation studies of atomic-scale sliding friction have been performed for a number of tip-surface and surface-surface contacts consisting of copper atoms. Both geometrically very simple tip-surface structures and more realistic interface necks formed by simulated annealing have been studied....... Kinetic friction is observed to be caused by atomic-scale Stick and slip which occurs by nucleation and subsequent motion of dislocations preferably between close-packed {111} planes. Stick and slip seems ro occur in different situations. For single crystalline contacts without grain boundaries...... pinning of atoms near the boundary of the interface and is therefore more easily observed for smaller contacts. Depending on crystal orientation and load, frictional wear can also be seen in the simulations. In particular, for the annealed interface-necks which model contacts created by scanning tunneling...

  10. 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

  11. 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)

  12. 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.)

  13. Particle beam technology for control of atomic-bonding state in materials

    Energy Technology Data Exchange (ETDEWEB)

    Ishikawa, Junzo [Kyoto Univ. (Japan). Faculty of Engineering

    1997-03-01

    The atomic-bonding state in materials can be controlled through `kinetic bonding` process by energetic particle beams which have a sufficient atomic kinetic energy. In order to clarify the `kinetic bonding` process the negative-ion beam deposition is considered as an ideal method because the negative ion has no additional active energies. Sputter type heavy negative-ion sources can be used for this purpose. Carbon films prepared by carbon negative-ion beam deposition have a strong dependency of the film properties on ion beam kinetic energy and have a quite high thermal conductivity which is comparable to that of the IIb diamond at a kinetic energy of 50-100 eV/atom. It suggests that new or metastable materials could be formed through the `kinetic bonding` process. Negative-ion beams can also be used for ion implantation, in which charging problems are perfectly reduced. (author)

  14. Signatures of a quantum diffusion limited hydrogen atom tunneling reaction.

    Science.gov (United States)

    Balabanoff, Morgan E; Ruzi, Mahmut; Anderson, David T

    2017-12-20

    We are studying the details of hydrogen atom (H atom) quantum diffusion in highly enriched parahydrogen (pH 2 ) quantum solids doped with chemical species in an effort to better understand H atom transport and reactivity under these conditions. In this work we present kinetic studies of the 193 nm photo-induced chemistry of methanol (CH 3 OH) isolated in solid pH 2 . Short-term irradiation of CH 3 OH at 1.8 K readily produces CH 2 O and CO which we detect using FTIR spectroscopy. The in situ photochemistry also produces CH 3 O and H atoms which we can infer from the post-photolysis reaction kinetics that display significant CH 2 OH growth. The CH 2 OH growth kinetics indicate at least three separate tunneling reactions contribute; (i) reactions of photoproduced CH 3 O with the pH 2 host, (ii) H atom reactions with the CH 2 O photofragment, and (iii) long-range migration of H atoms and reaction with CH 3 OH. We assign the rapid CH 2 OH growth to the following CH 3 O + H 2 → CH 3 OH + H → CH 2 OH + H 2 two-step sequential tunneling mechanism by conducting analogous kinetic measurements using deuterated methanol (CD 3 OD). By performing photolysis experiments at 1.8 and 4.3 K, we show the post-photolysis reaction kinetics change qualitatively over this small temperature range. We use this qualitative change in the reaction kinetics with temperature to identify reactions that are quantum diffusion limited. While these results are specific to the conditions that exist in pH 2 quantum solids, they have direct implications on the analogous low temperature H atom tunneling reactions that occur on metal surfaces and on interstellar grains.

  15. Kinetics of the CH{sub 3} + HCl/DCl {sup {yields}} CH{sub 4}/CH{sub 3}D + Cl and CD{sub 3} + HCl/DCl {sup {yields}} CD{sub 3}H/CD{sub 4} + Cl reactions: An experimental H atom tunneling investigation

    Energy Technology Data Exchange (ETDEWEB)

    Eskola, Arkke J. [Laboratory of Physical Chemistry, P.O. Box 55 (A.I. Virtasen aukio 1), FIN-00014, University of Helsinki, Helsinki (Finland); Seetula, Jorma A. [Laboratory of Physical Chemistry, P.O. Box 55 (A.I. Virtasen aukio 1), FIN-00014, University of Helsinki, Helsinki (Finland)], E-mail: seetula@csc.fi; Timonen, Raimo S. [Laboratory of Physical Chemistry, P.O. Box 55 (A.I. Virtasen aukio 1), FIN-00014, University of Helsinki, Helsinki (Finland)

    2006-12-11

    The kinetics of the radical reactions of CH{sub 3} with HCl or DCl and CD{sub 3} with HCl or DCl have been investigated in a temperature controlled tubular reactor coupled to a photoionization mass spectrometer. The CH{sub 3} (or CD{sub 3}) radical, R, was produced homogeneously in the reactor by a pulsed 193 nm exciplex laser photolysis of CH{sub 3}COCH{sub 3} (or CD{sub 3}COCD{sub 3}). The decay of CH{sub 3}/CD{sub 3} was monitored as a function of HCl/DCl concentration under pseudo-first-order conditions to determine the rate constants as a function of temperature, typically from 188 to 500 K. The rate constants of the CH{sub 3} and CD{sub 3} reactions with HCl had strong non-Arrhenius behavior at low temperatures. The rate constants were fitted to a modified Arrhenius expression k = QA exp (-E {sub a}/RT) (error limits stated are 1{sigma} + Students t values, units in cm{sup 3} molecule{sup -1} s{sup -1}): k(CH{sub 3} + HCl) = [1.004 + 85.64 exp (-0.02438 x T/K)] x (3.3 {+-} 1.3) x 10{sup -13} exp [-(4.8 {+-} 0.6) kJ mol{sup -1}/RT] and k(CD{sub 3} + HCl) = [1.002 + 73.31 exp (-0.02505 x T/K)] x (2.7 {+-} 1.2) x 10{sup -13} exp [-(3.5 {+-} 0.5) kJ mol{sup -1}/RT]. The radical reactions with DCl were studied separately over a wide ranges of temperatures and in these temperature ranges the rate constants determined were fitted to a conventional Arrhenius expression k = A exp (-E {sub a}/RT) (error limits stated are 1{sigma} + Students t values, units in cm{sup 3} molecule{sup -1} s{sup -1}): k(CH{sub 3} + DCl) = (2.4 {+-} 1.6) x 10{sup -13} exp [-(7.8 {+-} 1.4) kJ mol{sup -1}/RT] and k(CD{sub 3} + DCl) = (1.2 {+-} 0.4) x 10{sup -13} exp [-(5.2 {+-} 0.2) kJ mol{sup -1}/RT] cm{sup 3} molecule{sup -1} s{sup -1}. Curvature in the Arrhenius plots of the H-atom abstraction reactions at low temperatures was analyzed by considering H-atom tunneling through the reaction barrier and primary kinetic isotope effect. Contribution of tunneling in it was concluded to be

  16. First kinetic discrimination between carbon and oxygen reactivity of enols.

    Science.gov (United States)

    García-Río, Luis; Mejuto, Juan C; Parajó, Mercedes; Pérez-Lorenzo, Moisés

    2008-11-07

    Nitrosation of enols shows a well-differentiated behavior depending on whether the reaction proceeds through the carbon (nucleophilic catalysis is observed) or the oxygen atom (general acid-base catalysis is observed). This is due to the different operating mechanisms for C- and O-nitrosation. Nitrosation of acetylacetone (AcAc) shows a simultaneous nucleophilic and acid-base catalysis. This simultaneous catalysis constitutes the first kinetic evidence of two independent reactions on the carbon and oxygen atom of an enol. The following kinetic study allows us to determine the rate constants for both reaction pathways. A similar reactivity of the nucleophilic centers with the nitrosonium ion is observed.

  17. Principles of chemical kinetics

    CERN Document Server

    House, James E

    2007-01-01

    James House's revised Principles of Chemical Kinetics provides a clear and logical description of chemical kinetics in a manner unlike any other book of its kind. Clearly written with detailed derivations, the text allows students to move rapidly from theoretical concepts of rates of reaction to concrete applications. Unlike other texts, House presents a balanced treatment of kinetic reactions in gas, solution, and solid states. The entire text has been revised and includes many new sections and an additional chapter on applications of kinetics. The topics covered include quantitative rela

  18. Introduction to chemical kinetics

    CERN Document Server

    Soustelle, Michel

    2013-01-01

    This book is a progressive presentation of kinetics of the chemical reactions. It provides complete coverage of the domain of chemical kinetics, which is necessary for the various future users in the fields of Chemistry, Physical Chemistry, Materials Science, Chemical Engineering, Macromolecular Chemistry and Combustion. It will help them to understand the most sophisticated knowledge of their future job area. Over 15 chapters, this book present the fundamentals of chemical kinetics, its relations with reaction mechanisms and kinetic properties. Two chapters are then devoted to experimental re

  19. A question of balance: Kinetic balance for electrons and positrons

    International Nuclear Information System (INIS)

    Dyall, Kenneth G.

    2012-01-01

    Graphical abstract: Kinetic balance for both electrons and positrons is achieved by applying the correct relation for positive and negative energy states separately and then using the electron and positron eigensolutions from the separate diagonalizations of the Hamiltonian as a dual basis. Highlights: ► Kinetic balance for electrons and positrons is achieved in a dual atomic basis. ► Dual atomic balance alleviates, but does not eliminate, energy prolapse. ► Positron affinities converge quicker with basis set size with dual atomic balance. - Abstract: The kinetic balance criterion used in current relativistic basis set codes is satisfied by the electron solutions of the Dirac equation, but not the positron solutions. A proposal for applying kinetic balance to both sets of solutions is presented. The method is applied along with “normal” kinetic balance to one-electron systems, to investigate its possible relation to prolapse, and to the positron affinity of F − , to investigate the kinetic energy deficiency for positron solutions. The new method reduces but does not eliminate prolapse for energy-optimized basis sets, and provides faster and smoother convergence with basis set size for the positron affinity.

  20. Kinetic equation solution by inverse kinetic method

    International Nuclear Information System (INIS)

    Salas, G.

    1983-01-01

    We propose a computer program (CAMU) which permits to solve the inverse kinetic equation. The CAMU code is written in HPL language for a HP 982 A microcomputer with a peripheral interface HP 9876 A ''thermal graphic printer''. The CAMU code solves the inverse kinetic equation by taking as data entry the output of the ionization chambers and integrating the equation with the help of the Simpson method. With this program we calculate the evolution of the reactivity in time for a given disturbance

  1. 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)

  2. Accelerating action of stresses on crystallization kinetics in silicon ion-implanted layers during pulsed heating

    International Nuclear Information System (INIS)

    Aleksandrov, L.N.

    1985-01-01

    Numerical simulation of the effect of stressed in ion-implanted layers on kinetics of amorphous phase transformations is performed. The suggested model of accounting stresses including concentration ones is based on the locality of action of interstitial addition atoms and on general structural inhomogeneity of amorphous semiconductor leading to the formation of areas of the facilitated phase transition. Accounting of effect of energy variation of silicon atoms interaction on probability of displacement events and atoms building in lattice points or atomic bonds disintegration allows one to trace the accelerating action of introduced by ion implantation stresses on the kinetics of layer crystallization during pulsed heating

  3. 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

  4. 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.)

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

    Directory of Open Access Journals (Sweden)

    Vladimir A. Srećković

    2017-12-01

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

  6. 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

  7. 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.)

  8. Quantum chaos in atom optics

    International Nuclear Information System (INIS)

    D'Arcy, Michael Brendan

    2002-01-01

    This thesis presents an account of experimental and numerical investigations of two quantum systems whose respective classical analogues are chaotic. These are the δ-kicked rotor, a paradigm in classical chaos theory, and the novel δ-kicked accelerator, created by application of a constant external acceleration or torque to the rotor. The experimental realisation of these systems has been achieved by the exposure of laser-cooled caesium atoms to approximate δ-kicks from a pulsed, high-intensity, vertical standing wave of laser light. Gravity's effect on the atoms can be controlled by appropriate shifting of the profile of the standing wave. Numerical simulations of the systems are based on a diffractive model of the potential's effect. Each system's dynamics are characterised by the final form of the momentum distribution and the dependence of the atoms' mean kinetic energy on the number and time period of the δ-kicks. The phenomena of dynamical localisation and quantum resonances in the δ-kicked rotor, which have no counterparts in the system's classical analogue, are observed and investigated. Similar experiments on the δ-kicked accelerator reveal the striking phenomenon of the quantum accelerator mode, in which a large momentum is transferred to a substantial fraction of the atomic ensemble. This feature, absent in the system's classical analogue, is characterised and an analytic explanation is presented. The effect on each quantum system of decoherence, introduced through spontaneous emission in the atoms, is examined and comparison is made with the results of classical simulations. While having little effect on the classical systems, the level of decoherence used is found to degrade quantum signatures of behaviour. Classical-like behaviour is, to some extent, restored, although significant quantum features remain. Possible applications of the quantum accelerator mode are discussed. These include use as a tool in atom optics and interferometry, a

  9. Kinetics in radiation chemistry

    International Nuclear Information System (INIS)

    Hummel, A.

    1987-01-01

    In this chapter the authors first briefly review the kinetics of first- and second-order processes for continuous and pulsed irradiation, without taking the effects of nonhomogeneous formation of the species into consideration. They also discuss diffusion controlled reactions under conditions where interactions of more than two particles can be neglected, first the kinetics of the diffusion-controlled reaction of randomly generated species (homogeneous reaction) and then that of isolated pairs of reactants. The latter is often called geminate kinetics when dealing with pairs of oppositely charged species; they shall use this term for the kinetics of isolated pairs in general. In the last section they discuss briefly the kinetics of groups of more than two reactants

  10. Kinetics of niobium carbide precipitation in ferrite

    International Nuclear Information System (INIS)

    Gendt, D.

    2001-01-01

    The aim of this study is to develop a NbC precipitation modelling in ferrite. This theoretical study is motivated by the fact it considers a ternary system and focus on the concurrence of two different diffusion mechanisms. An experimental study with TEP, SANS and Vickers micro-hardening measurements allows a description of the NbC precipitation kinetics. The mean radius of the precipitates is characterized by TEM observations. To focus on the nucleation stage, we use the Tomographic Atom Probe that analyses, at an atomistic scale, the position of the solute atoms in the matrix. A first model based on the classical nucleation theory and the diffusion-limited growth describes the precipitation of spherical precipitates. To solve the set of equations, we use a numerical algorithm that furnishes an evaluation of the precipitated fraction, the mean radius and the whole size distribution of the particles. The parameters that are the interface energy, the solubility product and the diffusion coefficients are fitted with the data available in the literature and our experimental results. It allows a satisfactory agreement as regards to the simplicity of the model. Monte Carlo simulations are used to describe the evolution of a ternary alloy Fe-Nb-C on a cubic centred rigid lattice with vacancy and interstitial mechanisms. This is realized with an atomistic description of the atoms jumps and their related frequencies. The model parameters are fitted with phase diagrams and diffusion coefficients. For the sake of simplicity, we consider that the precipitation of NbC is totally coherent and we neglect any elastic strain effect. We can observe different kinetic paths: for low supersaturations, we find an expected precipitation of NbC but for higher supersaturations, the very fast diffusivity of carbon atoms conducts to the nucleation of iron carbide particles. We establish that the occurrence of this second phenomenon depends on the vacancy arrival kinetics and can be related

  11. Non-kinetic capabilities: complementing the kinetic prevalence to targeting

    OpenAIRE

    Ducheine, P.

    2014-01-01

    Targeting is used in military doctrine to describe a military operational way, using (military) means to influence a target (or addressee) in order to achieve designated political and/or military goals. The four factors italicized are used to analyse non-kinetic targeting, complementing our knowledge and understanding of the kinetic prevalence. Paradoxically, non-kinetic targeting is not recognized as a separate concept: kinetic and non-kinetic are intertwined facets of targeting. Kinetic tar...

  12. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    2000-01-01

    This fifth volume of the successful series Advances in Atomic Spectroscopy continues to discuss and investigate the area of atomic spectroscopy.It begins with a description of the use of various atomic spectroscopic methods and applications of speciation studies in atomic spectroscopy. The emphasis is on combining atomic spectroscopy with gas and liquid chromatography. In chapter two the authors describe new developments in tunable lasers and the impact they will have on atomic spectroscopy. The traditional methods of detection, such as photography and the photomultiplier, and how they are being replaced by new detectors is discussed in chapter three. The very active area of glow discharge atomic spectrometry is presented in chapter four where, after a brief introduction and historical review, the use of glow discharge lamps for atomic spectroscopy and mass spectrometry are discussed. Included in this discussion is geometry and radiofrequency power. The future of this source in atomic spectroscopy is also dis...

  13. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J

    2011-01-01

    Work with individual atoms and molecules aims to demonstrate that miniaturized electronic, optical, magnetic, and mechanical devices can operate ultimately even at the level of a single atom or molecule. As such, atomic and molecular manipulation has played an emblematic role in the development of the field of nanoscience. New methods based on the use of the scanning tunnelling microscope (STM) have been developed to characterize and manipulate all the degrees of freedom of individual atoms and molecules with an unprecedented precision. In the meantime, new concepts have emerged to design molecules and substrates having specific optical, mechanical and electronic functions, thus opening the way to the fabrication of real nano-machines. Manipulation of individual atoms and molecules has also opened up completely new areas of research and knowledge, raising fundamental questions of "Optics at the atomic scale", "Mechanics at the atomic scale", Electronics at the atomic scale", "Quantum physics at the atomic sca...

  14. 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.

  15. 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

  16. 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

  17. Kinetics of phase transformations

    International Nuclear Information System (INIS)

    Thompson, M.O.; Aziz, M.J.; Stephenson, G.B.

    1992-01-01

    This volume contains papers presented at the Materials Research Society symposium on Kinetics of Phase Transformations held in Boston, Massachusetts from November 26-29, 1990. The symposium provided a forum for research results in an exceptionally broad and interdisciplinary field. Presentations covered nearly every major class of transformations including solid-solid, liquid-solid, transport phenomena and kinetics modeling. Papers involving amorphous Si, a dominant topic at the symposium, are collected in the first section followed by sections on four major areas of transformation kinetics. The symposium opened with joint sessions on ion and electron beam induced transformations in conjunction with the Surface Chemistry and Beam-Solid Interactions: symposium. Subsequent sessions focused on the areas of ordering and nonlinear diffusion kinetics, solid state reactions and amorphization, kinetics and defects of amorphous silicon, and kinetics of melting and solidification. Seven internationally recognized invited speakers reviewed many of the important problems and recent results in these areas, including defects in amorphous Si, crystal to glass transformations, ordering kinetics, solid-state amorphization, computer modeling, and liquid/solid transformations

  18. 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

  19. Irreversible processes kinetic theory

    CERN Document Server

    Brush, Stephen G

    2013-01-01

    Kinetic Theory, Volume 2: Irreversible Processes deals with the kinetic theory of gases and the irreversible processes they undergo. It includes the two papers by James Clerk Maxwell and Ludwig Boltzmann in which the basic equations for transport processes in gases are formulated, together with the first derivation of Boltzmann's ""H-theorem"" and a discussion of this theorem, along with the problem of irreversibility.Comprised of 10 chapters, this volume begins with an introduction to the fundamental nature of heat and of gases, along with Boltzmann's work on the kinetic theory of gases and s

  20. Kinetics of in situ combustion. SUPRI TR 91

    Energy Technology Data Exchange (ETDEWEB)

    Mamora, D.D.; Ramey, H.J. Jr.; Brigham, W.E.; Castanier, L.M.

    1993-07-01

    Oxidation kinetic experiments with various crude oil types show two reaction peaks at about 250{degree}C (482{degree}F) and 400{degree}C (725{degree}F). These experiments lead to the conclusion that the fuel during high temperature oxidation is an oxygenated hydrocarbon. A new oxidation reaction model has been developed which includes two partially-overlapping reactions: namely, low-temperature oxidation followed by high-temperature oxidation. For the fuel oxidation reaction, the new model includes the effects of sand grain size and the atomic hydrogen-carbon (H/C) and oxygen-carbon (O/C) ratios of the fuel. Results based on the new model are in good agreement with the experimental data. Methods have been developed to calculate the atomic H/C and O/C ratios. These methods consider the oxygen in the oxygenated fuel, and enable a direct comparison of the atomic H/C ratios obtained from kinetic and combustion tube experiments. The finding that the fuel in kinetic tube experiments is an oxygenated hydrocarbon indicates that oxidation reactions are different in kinetic and combustion tube experiments. A new experimental technique or method of analysis will be required to obtain kinetic parameters for oxidation reactions encountered in combustion tube experiments and field operations.

  1. Atomic Covalent Functionalization of Graphene

    Science.gov (United States)

    Johns, James E.; Hersam, Mark C.

    2012-01-01

    Conspectus Although graphene’s physical structure is a single atom thick, two-dimensional, hexagonal crystal of sp2 bonded carbon, this simple description belies the myriad interesting and complex physical properties attributed to this fascinating material. Because of its unusual electronic structure and superlative properties, graphene serves as a leading candidate for many next generation technologies including high frequency electronics, broadband photodetectors, biological and gas sensors, and transparent conductive coatings. Despite this promise, researchers could apply graphene more routinely in real-world technologies if they could chemically adjust graphene’s electronic properties. For example, the covalent modification of graphene to create a band gap comparable to silicon (~1 eV) would enable its use in digital electronics, and larger band gaps would provide new opportunities for graphene-based photonics. Towards this end, researchers have focused considerable effort on the chemical functionalization of graphene. Due to its high thermodynamic stability and chemical inertness, new methods and techniques are required to create covalent bonds without promoting undesirable side reactions or irreversible damage to the underlying carbon lattice. In this Account, we review and discuss recent theoretical and experimental work studying covalent modifications to graphene using gas phase atomic radicals. Atomic radicals have sufficient energy to overcome the kinetic and thermodynamic barriers associated with covalent reactions on the basal plane of graphene but lack the energy required to break the C-C sigma bonds that would destroy the carbon lattice. Furthermore, because they are atomic species, radicals substantially reduce the likelihood of unwanted side reactions that confound other covalent chemistries. Overall, these methods based on atomic radicals show promise for the homogeneous functionalization of graphene and the production of new classes of two

  2. Fine kinetics of natural physical ageing in glassy As10Se90

    International Nuclear Information System (INIS)

    Balitska, V.; Golovchak, R.; Kozdras, A.; Shpotyuk, O.

    2014-01-01

    Sigmoid behavior of natural physical ageing in glassy As 10 Se 90 reveals multi-step-wise growing kinetics of enthalpy losses. Phenomenological description of this kinetics can be adequately developed in terms of first-order relaxation processes, tending atomic structure from initial towards more thermodynamically equilibrium state. This kinetics is shown to obey characteristic stretched exponential behavior originated from a number of growing steps, attributed to the interconnected processes of chalcogen chain alignment and cooperative shrinkage of glass network

  3. Breakup of relativistic π+π- atoms in matter

    International Nuclear Information System (INIS)

    Afanasyev, L.G.; Tarasov, A.V.

    1996-01-01

    The relativistic motion of atoms formed by π+ and π- mesons in matter is considered. Exact analytic expressions for the form factors of hydrogenlike atoms for discrete-discrete transitions are obtained in a form convenient for numerical calculations. The total and transition cross sections for the interaction of π+π- atoms with matter are calculated in the Born approximation. The evolution of atomic-state populations is treated in terms of kinetic equations. The method of calculation makes it possible to obtain the populations of discrete atomic states, as well as the probability of transitions to the continuous spectrum (ionization). The proposed method yields the first experimental estimate of the lifetime of the π+π- atom

  4. ATLASGAL-selected massive clumps in the inner Galaxy. VI. Kinetic temperature and spatial density measured with formaldehyde

    Science.gov (United States)

    Tang, X. D.; Henkel, C.; Wyrowski, F.; Giannetti, A.; Menten, K. M.; Csengeri, T.; Leurini, S.; Urquhart, J. S.; König, C.; Güsten, R.; Lin, Y. X.; Zheng, X. W.; Esimbek, J.; Zhou, J. J.

    2018-03-01

    Context. Formaldehyde (H2CO) is a reliable tracer to accurately measure the physical parameters of dense gas in star-forming regions. Aim. We aim to determine directly the kinetic temperature and spatial density with formaldehyde for the 100 brightest ATLASGAL-selected clumps (the TOP100 sample) at 870 μm representing various evolutionary stages of high-mass star formation. Methods: Ten transitions (J = 3-2 and 4-3) of ortho- and para-H2CO near 211, 218, 225, and 291 GHz were observed with the Atacama Pathfinder EXperiment (APEX) 12 m telescope. Results: Using non-LTE models with RADEX, we derived the gas kinetic temperature and spatial density with the measured para-H2CO 321-220/303-202, 422-321/404-303, and 404-303/303-202 ratios. The gas kinetic temperatures derived from the para-H2CO 321-220/303-202 and 422-321/404-303 line ratios are high, ranging from 43 to >300 K with an unweighted average of 91 ± 4 K. Deduced Tkin values from the J = 3-2 and 4-3 transitions are similar. Spatial densities of the gas derived from the para-H2CO 404-303/303-202 line ratios yield 0.6-8.3 × 106 cm-3 with an unweighted average of 1.5 (±0.1) × 106 cm-3. A comparison of kinetic temperatures derived from para-H2CO, NH3, and dust emission indicates that para-H2CO traces a distinctly higher temperature than the NH3 (2, 2)/(1, 1) transitions and the dust, tracing heated gas more directly associated with the star formation process. The H2CO line widths are found to be correlated with bolometric luminosity and increase with the evolutionary stage of the clumps, which suggests that higher luminosities tend to be associated with a more turbulent molecular medium. It seems that the spatial densities measured with H2CO do not vary significantly with the evolutionary stage of the clumps. However, averaged gas kinetic temperatures derived from H2CO increase with time through the evolution of the clumps. The high temperature of the gas traced by H2CO may be mainly caused by radiation from

  5. Transverse confinement in stochastic cooling of trapped atoms

    International Nuclear Information System (INIS)

    Ivanov, D; Wallentowitz, S

    2004-01-01

    Stochastic cooling of trapped atoms is considered for a laser-beam configuration with beam waists equal to or smaller than the extent of the atomic cloud. It is shown that various effects appear due to this transverse confinement, among them heating of transverse kinetic energy. Analytical results of the cooling in dependence on size and location of the laser beam are presented for the case of a non-degenerate vapour

  6. A Single Atom Antenna

    International Nuclear Information System (INIS)

    Trinter, Florian; Williams, Joshua B; Weller, Miriam; Waitz, Markus; Pitzer, Martin; Voigtsberger, Jörg; Schober, Carl; Kastirke, Gregor; Müller, Christian; Goihl, Christoph; Burzynski, Phillip; Wiegandt, Florian; Wallauer, Robert; Kalinin, Anton; Schmidt, Lothar Ph H; Schöffler, Markus S; Jahnke, Till; Dörner, Reinhard; Chiang, Ying-Chih; Gokhberg, Kirill

    2015-01-01

    Here we demonstrate the smallest possible implementation of an antenna-receiver complex which consists of a single (helium) atom acting as the antenna and a second (neon) atom acting as a receiver. (paper)

  7. SHORT COMMUNICATION CATALYTIC KINETIC ...

    African Journals Online (AJOL)

    IV) catalyzes the discoloring reaction of DBS-arsenazo oxidized by potassium bromate, a new catalytic kinetic spectrophotometric method for the determination of trace titanium (IV) was developed. The linear range of the determination of ...

  8. 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)

  9. 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.)

  10. Virial theorem in the Kohn-Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies

    NARCIS (Netherlands)

    Rodriguez, A.; Ayers, P.W.; Gotz, A.W.; Castillo-Alvarado, F.L.

    2009-01-01

    A new approach for computing the atom-in-molecule [quantum theory of atoms in molecule (QTAIM)] energies in Kohn-Sham density-functional theory is presented and tested by computing QTAIM energies for a set of representative molecules. In the new approach, the contribution for the correlation-kinetic

  11. Atomic Energy Control Act

    International Nuclear Information System (INIS)

    1970-01-01

    This act provides for the establishment of the Atomic Energy Control Board. The board is responsible for the control and supervision of the development, application and use of atomic energy. The board is also considered necessary to enable Canada to participate effectively in measures of international control of atomic energy

  12. Atomic Spectra Database (ASD)

    Science.gov (United States)

    SRD 78 NIST Atomic Spectra Database (ASD) (Web, free access)   This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The NIST Atomic Spectroscopy Data Center has carried out these critical compilations.

  13. Semiclassical neutral atom as a reference system in density functional theory.

    Science.gov (United States)

    Constantin, Lucian A; Fabiano, E; Laricchia, S; Della Sala, F

    2011-05-06

    We use the asymptotic expansions of the semiclassical neutral atom as a reference system in density functional theory to construct accurate generalized gradient approximations (GGAs) for the exchange-correlation and kinetic energies without any empiricism. These asymptotic functionals are among the most accurate GGAs for molecular systems, perform well for solid state, and overcome current GGA state of the art in frozen density embedding calculations. Our results also provide evidence for the conjointness conjecture between exchange and kinetic energies of atomic systems.

  14. High-temperature spreading kinetics of metals

    Energy Technology Data Exchange (ETDEWEB)

    Rauch, N.

    2005-05-15

    In this PhD work a drop transfer setup combined with high speed photography has been used to analyze the spreading of Ag on polished polycrystalline Mo and single crystalline Mo (110) and (100) substrates. The objective of this work was to unveil the basic phenomena controlling spreading in metal-metal systems. The observed spreading kinetics were compared with current theories of low and high temperature spreading such as a molecular kinetic model and a fluid flow model. Analyses of the data reveal that the molecular model does describe the fastest velocity data well for all the investigated systems. Therefore, the energy which is dissipated during the spreading process is a dissipation at the triple line rather than dissipation due to the viscosity in the liquid. A comparison of the determined free activation energy for wetting of {delta}G95{approx}145kJ/mol with literature values allows the statement that the rate determining step seems to be a surface diffusion of the Ag atoms along the triple line. In order to investigate possible ridge formation, due to local atomic diffusion of atoms of the substrate at the triple during the spreading process, grooving experiments of the polycrystalline Mo were performed to calculate the surface diffusities that will control ridge evolution. The analyses of this work showed that a ridge formation at the fastest reported wetting velocities was not possible if there is no initial perturbation for a ridge. If there was an initial perturbation for a ridge the ridge had to be much smaller than 1 nm in order to be able to move with the liquid font. Therefore ridge formation does not influence the spreading kinetics for the studied system and the chosen conditions. SEM, AFM and TEM investigations of the triple line showed that ridge formation does also not occur at the end of the wetting experiment when the drop is close to equilibrium and the wetting velocity is slow. (orig.)

  15. Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections

    Energy Technology Data Exchange (ETDEWEB)

    Chai, Jeng-Da; Head-Gordon, Martin

    2008-06-14

    We report re-optimization of a recently proposed long-range corrected (LC) hybrid density functionals [J.-D. Chai and M. Head-Gordon, J. Chem. Phys. 128, 084106 (2008)] to include empirical atom-atom dispersion corrections. The resulting functional, {omega}B97X-D yields satisfactory accuracy for thermochemistry, kinetics, and non-covalent interactions. Tests show that for non-covalent systems, {omega}B97X-D shows slight improvement over other empirical dispersion-corrected density functionals, while for covalent systems and kinetics, it performs noticeably better. Relative to our previous functionals, such as {omega}B97X, the new functional is significantly superior for non-bonded interactions, and very similar in performance for bonded interactions.

  16. 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)

  17. Atomic physics. Introduction to quantum physics and structure of the atomic system. 2. ed.

    International Nuclear Information System (INIS)

    Cagnac, Bernard; Pebay-Peyroula, J.-C.

    1975-01-01

    This lecture is intended for providing experimental foundations to the basic principles of quantum mechanics, from descriptions of some characteristic experiments which emphasize the limitations of the classical theory. The basic laws that govern the internal structure of atomic systems are exposed (waves and photons, the planetary model and principal quantum number, and the spatial classification of kinetic momenta and magnetic moments). Experimental studies presently in progress are reviewed and their aims are outlined [fr

  18. Selected specific rates of reactions of transients from water in aqueous solution. II. Hydrogen atom

    International Nuclear Information System (INIS)

    Anbar, M.; Farhataziz; Ross, A.B.

    1975-05-01

    Rates of reactions of hydrogen atoms (from radiolysis of water and other sources) with organic and inorganic molecules, ions, and transients in aqueous solution were tabulated. Directly measured rates obtained by kinetic spectroscopy or conductimetric methods, and relative rates determined by competition kinetics are included. (U.S.)

  19. Kinetic temperature of massive star-forming molecular clumps measured with formaldehyde. III. The Orion molecular cloud 1

    Science.gov (United States)

    Tang, X. D.; Henkel, C.; Menten, K. M.; Wyrowski, F.; Brinkmann, N.; Zheng, X. W.; Gong, Y.; Lin, Y. X.; Esimbek, J.; Zhou, J. J.; Yuan, Y.; Li, D. L.; He, Y. X.

    2018-01-01

    We mapped the kinetic temperature structure of the Orion molecular cloud 1 (OMC-1) with para-H2CO (JKaKc = 303-202, 322-221, and 321-220) using the APEX 12 m telescope. This is compared with the temperatures derived from the ratio of the NH3 (2, 2)/(1, 1) inversion lines and the dust emission. Using the RADEX non-LTE model, we derive the gas kinetic temperature modeling the measured averaged line ratios of para-H2CO 322-221/303-202 and 321-220/303-202. The gas kinetic temperatures derived from the para-H2CO line ratios are warm, ranging from 30 to >200 K with an average of 62 ± 2 K at a spatial density of 105 cm-3. These temperatures are higher than those obtained from NH3 (2, 2)/(1, 1) and CH3CCH (6-5) in the OMC-1 region. The gas kinetic temperatures derived from para-H2CO agree with those obtained from warm dust components measured in the mid infrared (MIR), which indicates that the para-H2CO (3-2) ratios trace dense and warm gas. The cold dust components measured in the far infrared (FIR) are consistent with those measured with NH3 (2, 2)/(1, 1) and the CH3CCH (6-5) line series. With dust at MIR wavelengths and para-H2CO (3-2) on one side, and dust at FIR wavelengths, NH3 (2, 2)/(1, 1), and CH3CCH (6-5) on the other, dust and gas temperatures appear to be equivalent in the dense gas (n(H2) ≳ 104 cm-3) of the OMC-1 region, but provide a bimodal distribution, one more directly related to star formation than the other. The non-thermal velocity dispersions of para-H2CO are positively correlated with the gas kinetic temperatures in regions of strong non-thermal motion (Mach number ≳ 2.5) of the OMC-1, implying that the higher temperature traced by para-H2CO is related to turbulence on a 0.06 pc scale. Combining the temperature measurements with para-H2CO and NH3 (2, 2)/(1, 1) line ratios, we find direct evidence for the dense gas along the northern part of the OMC-1 10 km s-1 filament heated by radiation from the central Orion nebula. The reduced datacubes are

  20. Labelling of macromoleculear carbohydrates by means of 'Hot Atom' reactions

    International Nuclear Information System (INIS)

    Lundqvist, H.; Malmborg, P.

    1976-01-01

    Radioactive labelling of polysaccharides have been performed using atoms with such high kinetic energy that they can break normally very stable bindings thus permitting labelling by substitution reactions. Such atoms can be produced in nuclear transformations. We have chosen to study the labelling efficiency of 'hot atoms' ( 77 Br, 123 I and 125 I) produced in radioactive decay (β + -decay and E.C.) of noble gas nuclides ( 77 Kr, 123 Xe and 125 Xe) which easily could be brought in close contact with the molecule to be labelled. Substances to be labelled have been starch particles and high molecular weight glycogen. (author)

  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. Atom transfer radical copolymerization of styrene and butyl acrylate

    NARCIS (Netherlands)

    Chambard, G.; Klumperman, B.; Matyjaszewski, K.

    2000-01-01

    Atom transfer radical polymerization of styrene and butyl acrylate has been investigated from a kinetic point of view. Attention is focused on the activation of the dormant species as well as on the termination that plays a role in these reactions. It has been shown that the activation of a styrene

  3. Relativistic Chiral Kinetic Theory

    International Nuclear Information System (INIS)

    Stephanov, Mikhail

    2016-01-01

    This very brief review of the recent progress in chiral kinetic theory is based on the results of Refs. [J.-Y. Chen, D. T. Son, M. A. Stephanov, H.-U. Yee, Y. Yin, Lorentz Invariance in Chiral Kinetic Theory, Phys. Rev. Lett. 113 (18) (2014) 182302. doi: (10.1103/PhysRevLett.113.182302); J.-Y. Chen, D. T. Son, M. A. Stephanov, Collisions in Chiral Kinetic Theory, Phys. Rev. Lett. 115 (2) (2015) 021601. doi: (10.1103/PhysRevLett.115.021601); M. A. Stephanov, H.-U. Yee, The no-drag frame for anomalous chiral fluid, Phys. Rev. Lett. 116 (12) (2016) 122302. doi: (10.1103/PhysRevLett.116.122302)].

  4. Relativistic Chiral Kinetic Theory

    Energy Technology Data Exchange (ETDEWEB)

    Stephanov, Mikhail

    2016-12-15

    This very brief review of the recent progress in chiral kinetic theory is based on the results of Refs. [J.-Y. Chen, D. T. Son, M. A. Stephanov, H.-U. Yee, Y. Yin, Lorentz Invariance in Chiral Kinetic Theory, Phys. Rev. Lett. 113 (18) (2014) 182302. doi: (10.1103/PhysRevLett.113.182302); J.-Y. Chen, D. T. Son, M. A. Stephanov, Collisions in Chiral Kinetic Theory, Phys. Rev. Lett. 115 (2) (2015) 021601. doi: (10.1103/PhysRevLett.115.021601); M. A. Stephanov, H.-U. Yee, The no-drag frame for anomalous chiral fluid, Phys. Rev. Lett. 116 (12) (2016) 122302. doi: (10.1103/PhysRevLett.116.122302)].

  5. Erbium hydride decomposition kinetics.

    Energy Technology Data Exchange (ETDEWEB)

    Ferrizz, Robert Matthew

    2006-11-01

    Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.

  6. The production and investigation of cold antihydrogen atoms

    International Nuclear Information System (INIS)

    Pittner, H.

    2005-04-01

    This work reports on experiments in which antihydrogen atoms have been produced in cryogenic Penning traps from antiproton and positron plasmas by two different methods and on experiments that have been carried out subsequently in order to investigate the antihydrogen atoms. By the first method antihydrogen atoms have been formed during the process of positron cooling of antiprotons in so called nested Penning traps and detected via a field ionization method. A measurement of the state distribution has revealed that the antihydrogen atoms are formed in highly excited states. This suggests along with the high production rate that the antihydrogen atoms are formed by three-body recombination processes and subsequent collisional deexcitations. However current theory cannot yet account for the measured state distribution. Typical radii of the detected antihydrogen atoms lie in the range between 0.4 μm and 0.15 μm. The deepest bound antihydrogen atoms have radii below 0.1 μm.The kinetic energy of the weakest bound antihydrogen atoms has been measured to about 200 meV. By the second method antihydrogen atoms have been synthesized in charge-exchange processes. Lasers are used to produce a Rydberg cesium beam within the cryogenic Penning trap that collides with trapped positrons so that Rydberg positronium atoms are formed via charge-exchange reactions. The Rydberg positronium atoms that collide with nearby stored antiprotons form antihydrogen atoms in charge-exchange reactions. So far, 14±4 antihydrogen atoms have been detected background-free via a field-ionization method. The antihydrogen atoms produced via the two-step charge-exchange mechanism are expected to have a temperature of 4.2 K, the temperature of the antiprotons from which they are formed

  7. 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

  8. Relativistic Kinetic Theory

    Science.gov (United States)

    Vereshchagin, Gregory V.; Aksenov, Alexey G.

    2017-02-01

    Preface; Acknowledgements; Acronyms and definitions; Introduction; Part I. Theoretical Foundations: 1. Basic concepts; 2. Kinetic equation; 3. Averaging; 4. Conservation laws and equilibrium; 5. Relativistic BBGKY hierarchy; 6. Basic parameters in gases and plasmas; Part II. Numerical Methods: 7. The basics of computational physics; 8. Direct integration of Boltzmann equations; 9. Multidimensional hydrodynamics; Part III. Applications: 10. Wave dispersion in relativistic plasma; 11. Thermalization in relativistic plasma; 12. Kinetics of particles in strong fields; 13. Compton scattering in astrophysics and cosmology; 14. Self-gravitating systems; 15. Neutrinos, gravitational collapse and supernovae; Appendices; Bibliography; Index.

  9. Atoms - molecules - nuclei. Vol. 1

    International Nuclear Information System (INIS)

    Otter, G.; Honecker, R.

    1993-01-01

    This first volume covers the following topics: Wave-particle dualism, classical atomic physics; the Schroedinger equation, angular momentum in quantum physics, one-electron atoms and many-electron atoms with atomic structure, atomic spectra, exotic atoms, influence of electric and magnetic fields

  10. Atomic and molecular sciences

    International Nuclear Information System (INIS)

    Lane, N.F.

    1989-01-01

    The theoretical atomic and molecular physics program at Rice University addresses basic questions about the collision dynamics of electrons, atoms, ions and molecules, emphasizing processes related to possible new energy technologies and other applications. The program focuses on inelastic collision processes that are important in understanding energy and ionization balance in disturbed gases and plasmas. Emphasis is placed on systems and processes where some experimental information is available or where theoretical results may be expected to stimulate new measurements. Examples of current projects include: excitation and charge-transfer processes; orientation and alignment of excited states following collisions; Rydberg atom collisions with atoms and molecules; Penning ionization and ion-pair formation in atom-atom collisions; electron-impact ionization in dense, high-temperature plasmas; electron-molecule collisions; and related topics

  11. Modern atomic physics

    CERN Document Server

    Natarajan, Vasant

    2015-01-01

    Much of our understanding of physics in the last 30-plus years has come from research on atoms, photons, and their interactions. Collecting information previously scattered throughout the literature, Modern Atomic Physics provides students with one unified guide to contemporary developments in the field. After reviewing metrology and preliminary material, the text explains core areas of atomic physics. Important topics discussed include the spontaneous emission of radiation, stimulated transitions and the properties of gas, the physics and applications of resonance fluorescence, coherence, cooling and trapping of charged and neutral particles, and atomic beam magnetic resonance experiments. Covering standards, a different way of looking at a photon, stimulated radiation, and frequency combs, the appendices avoid jargon and use historical notes and personal anecdotes to make the topics accessible to non-atomic physics students. Written by a leader in atomic and optical physics, this text gives a state-of-the...

  12. Reactivity of amino acid anions with nitrogen and oxygen atoms.

    Science.gov (United States)

    Wang, Zhe-Chen; Li, Ya-Ke; He, Sheng-Gui; Bierbaum, Veronica M

    2018-02-14

    For many decades, astronomers have searched for biological molecules, including amino acids, in the interstellar medium; this endeavor is important for investigating the hypothesis of the origin of life from space. The space environment is complex and atomic species, such as nitrogen and oxygen atoms, are widely distributed. In this work, the reactions of eight typical deprotonated amino acids (glycine, alanine, cysteine, proline, aspartic acid, histidine, tyrosine, and tryptophan) with ground state nitrogen and oxygen atoms are studied by experiment and theory. These amino acid anions do not react with nitrogen atoms. However, the reactions of these ions with oxygen atoms show an intriguing variety of ionic products and the reaction rate constants are of the order of 10 -10 cm 3 s -1 . Density functional calculations provide detailed mechanisms of the reactions, and demonstrate that spin conversion is essential for some processes. Our study provides important data and insights for understanding the kinetic and dynamic behavior of amino acids in space environments.

  13. Metal atom oxidation laser

    International Nuclear Information System (INIS)

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-01-01

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides

  14. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1997-01-01

    This series describes selected advances in the area of atomic spectroscopy. It is primarily intended for the reader who has a background in atmoic spectroscopy; suitable to the novice and expert. Although a widely used and accepted method for metal and non-metal analysis in a variety of complex samples, Advances in Atomic Spectroscopy covers a wide range of materials. Each Chapter will completely cover an area of atomic spectroscopy where rapid development has occurred.

  15. Economical Atomic Layer Deposition

    Science.gov (United States)

    Wyman, Richard; Davis, Robert; Linford, Matthew

    2010-10-01

    Atomic Layer Deposition is a self limiting deposition process that can produce films at a user specified height. At BYU we have designed a low cost and automated atomic layer deposition system. We have used the system to deposit silicon dioxide at room temperature using silicon tetrachloride and tetramethyl orthosilicate. Basics of atomic layer deposition, the system set up, automation techniques and our system's characterization are discussed.

  16. Atomic physics made clear

    International Nuclear Information System (INIS)

    Meinhold, H.

    1980-01-01

    This book is a popular introduction into the foundations of atomic physics und quantum mechanics. Starting from some phenomenological concepts Bohr's model and the construction of the periodic system regarding the shell structure of atoms are introduced. In this framework the selection rules and magnetic moments of atomic electrons are considered. Finally the wave-particle dualism is considered. In the appendix some mathematical methods are described which are useful for a deeper penetration into the considered ideas. (HSI)

  17. Shaping the composition profiles in heteroepitaxial quantum dots: Interplay of thermodynamic and kinetic effects

    Directory of Open Access Journals (Sweden)

    C. Georgiou

    2014-07-01

    Full Text Available Atomistic Monte Carlo simulations, coupling thermodynamic and kinetic effects, resolve a longstanding controversy regarding the origin of composition profiles in heteroepitaxial SiGe quantum dots. It is shown that profiles with cores rich in the unstrained (Si component derive from near-equilibrium processes and intraisland diffusion. Profiles with cores rich in the strained (Ge component are of nonequilibrium nature, i.e., they are strain driven but kinetically limited. They are shaped by the distribution of kinetic barriers of atomic diffusion in the islands. The diffusion pathways are clearly revealed for the first time. Geometrical kinetics play a minor role.

  18. Deeply bound pionic atom

    International Nuclear Information System (INIS)

    Toki, Hiroshi; Yamazaki, Toshimitsu

    1989-01-01

    The standard method of pionic atom formation does not produce deeply bound pionic atoms. A study is made on the properties of deeply bound pionic atom states by using the standard pion-nucleus optical potential. Another study is made to estimate the cross sections of the formation of ls pionic atom states by various methods. The pion-nucleus optical potential is determined by weakly bound pionic atom states and pion nucleus scattering. Although this potential may not be valid for deeply bound pionic atoms, it should provide some hint on binding energies and level widths of deeply bound states. The width of the ls state comes out to be 0.3 MeV and is well separated from the rest. The charge dependence of the ls state is investigated. The binding energies and the widths increase linearly with Z azbove a Z of 30. The report then discusses various methods to populate deeply bound pionic atoms. In particular, 'pion exchange' reactions are proposed. (n, pπ) reaction is discussed first. The cross section is calculated by assuming the in- and out-going nucleons on-shell and the produced pion in (n1) pionic atom states. Then, (n, dπ - ) cross sections are estimated. (p, 2 Heπ - ) reaction would have cross sections similar to the cross section of (n, dπ - ) reaction. In conclusion, it seems best to do (n, p) experiment on heavy nuclei for deeply bound pionic atom. (Nogami, K.)

  19. Single atom oscillations

    International Nuclear Information System (INIS)

    Wiorkowski, P.; Walther, H.

    1990-01-01

    Modern methods of laser spectroscopy allow the study of single atoms or ions in an unperturbed environment. This has opened up interesting new experiments, among them the detailed study of radiation-atom coupling. In this paper, the following two experiments dealing with this problem are reviewed: the single-atom maser and the study of the resonance fluorescence of a single stored ion. The simplest and most fundamental system for studying radiation-matter coupling is a single two-level atom interacting with a single mode of an electromagnetic field in a cavity. This problem received a great deal of attention shortly after the maser was invented

  20. Atomic hydrogen reactor

    International Nuclear Information System (INIS)

    Massip de Turville, C.M.D.

    1982-01-01

    Methods are discussed of generating heat in an atomic hydrogen reactor which involve; the production of atomic hydrogen by an electrical discharge, the capture of nascent neutrons from atomic hydrogen in a number of surrounding steel alloy tubes having a high manganese content to produce 56 Mn, the irradiation of atomic hydrogen by the high energy antineutrinos from the beta decay of 56 Mn to yield nascent neutrons, and the removal of the heat generated by the capture of nascent neutrons by 55 Mn and the beta decay of 56 Mn. (U.K.)

  1. The relativistic Scott correction for atoms and molecules

    DEFF Research Database (Denmark)

    Solovej, Jan Philip; Sørensen, Thomas Østergaard; Spitzer, Wolfgang L.

    We prove the first correction to the leading Thomas-Fermi energy for the ground state energy of atoms and molecules in a model where the kinetic energy of the electrons is treated relativistically. The leading Thomas-Fermi energy, established in [25], as well as the correction given here are of s......We prove the first correction to the leading Thomas-Fermi energy for the ground state energy of atoms and molecules in a model where the kinetic energy of the electrons is treated relativistically. The leading Thomas-Fermi energy, established in [25], as well as the correction given here...... are of semi-classical nature. Our result on atoms and molecules is proved from a general semi-classical estimate for relativistic operators with potentials with Coulomb-like singularities. This semi-classical estimate is obtained using the coherent state calculus introduced in [36]. The paper contains...

  2. Non-LTE calculation of HCL earthlimb emission and implication for detection of HCl in the atmosphere

    Science.gov (United States)

    Kumer, J. B.; James, T. C.

    1982-01-01

    Calculation results are presented for the contribution of the non-Local Thermodynamic Equilibrium process of resonant scattering of sunlight in the 1-0 band of HCl to the earthlimb radiance, for the case of tangent altitudes from 20 to 90 km. It is established that the mechanism in question is a significant contributor to radiance at altitudes as low as 20 km, and that it becomes greater than the Local Thermodynamic Equilibrium contribution above 40 km. Attention is given to the prospects for detection of HCl at altitudes approaching 80 km, by means of the Cryogenic Limb Array Etalon Spectrometer scheduled for deployment by the NASA Upper Atmospheric Research Satellite.

  3. Dynamics of quiescent prominence fine structures analyzed by 2D non-LTE modelling of the Hα line

    Czech Academy of Sciences Publication Activity Database

    Gunár, Stanislav; Mein, P.; Schmieder, B.; Heinzel, Petr; Mein, N.

    2012-01-01

    Roč. 543, July (2012), A93/1-A93/15 ISSN 0004-6361 R&D Projects: GA ČR GP205/09/P554; GA ČR GAP209/12/0906 Institutional support: RVO:67985815 Keywords : Sun * filaments * prominences Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 5.084, year: 2012

  4. Circumnuclear Multi-phase Gas in the Circinus Galaxy. I. Non-LTE Calculations of CO Lines

    Science.gov (United States)

    Wada, Keiichi; Fukushige, Ryosuke; Izumi, Takuma; Tomisaka, Kohji

    2018-01-01

    In this study, we investigate the line emissions from cold molecular gas based on our previous “radiation-driven fountain model,” which reliably explains the spectral energy distribution of the nearest type 2 Seyfert galaxy, the Circinus galaxy. Using a snapshot of the best-fit radiation-hydrodynamic model for the central r≤slant 16 pc, in which non-equilibrium X-ray-dominated region chemistry is solved, we conduct post-processed non-local thermodynamic equilibrium radiation transfer simulations for the CO lines. We obtain a spectral line energy distribution with a peak around J≃ 6, and its distribution suggests that the lines are not thermalized. However, for a given line of sight, the optical depth distribution is highly non-uniform between {τ }ν \\ll 1 and {τ }ν \\gg 1. The CO-to-H2 conversion factor ({X}{CO}), which can be directly obtained from the results and is not a constant, depends strongly on the integrated intensity and differs from the fiducial value for local objects. {X}{CO} exhibits a large dispersion of more than one order of magnitude, reflecting the non-uniform internal structure of a “torus.” In addition, we found that the physical conditions differ between grid cells on a scale of a few parsecs along the observed lines of sight; therefore, a specific observed line ratio does not necessarily represent a single physical state of the interstellar medium.

  5. Non-LTE Calculations of the Fe I 6173 Å Line in a Flaring Atmosphere

    Science.gov (United States)

    Hong, Jie; Ding, M. D.; Li, Ying; Carlsson, Mats

    2018-04-01

    The Fe I 6173 Å line is widely used in the measurements of vector magnetic fields by instruments including the Helioseismic and Magnetic Imager (HMI). We perform non-local thermodynamic equilibrium calculations of this line based on radiative hydrodynamic simulations in a flaring atmosphere. We employ both a quiet-Sun atmosphere and a penumbral atmosphere as the initial one in our simulations. We find that, in the quiet-Sun atmosphere, the line center is obviously enhanced during an intermediate flare. The enhanced emission is contributed from both radiative backwarming in the photosphere and particle beam heating in the lower chromosphere. A blue asymmetry of the line profile also appears due to an upward mass motion in the lower chromosphere. If we take a penumbral atmosphere as the initial atmosphere, the line has a more significant response to the flare heating, showing a central emission and an obvious asymmetry. The low spectral resolution of HMI would indicate some loss of information, but the enhancement and line asymmetry are still kept. By calculating polarized line profiles, we find that the Stokes I and V profiles can be altered as a result of flare heating. Thus the distortion of this line has a crucial influence on the magnetic field measured from this line, and one should be cautious in interpreting the magnetic transients observed frequently in solar flares.

  6. Oxidative desulfurization: kinetic modelling.

    Science.gov (United States)

    Dhir, S; Uppaluri, R; Purkait, M K

    2009-01-30

    Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H(2)O(2) over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel.

  7. Oxidative desulfurization: Kinetic modelling

    International Nuclear Information System (INIS)

    Dhir, S.; Uppaluri, R.; Purkait, M.K.

    2009-01-01

    Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H 2 O 2 over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel

  8. Modeling chemical kinetics graphically

    NARCIS (Netherlands)

    Heck, A.

    2012-01-01

    In literature on chemistry education it has often been suggested that students, at high school level and beyond, can benefit in their studies of chemical kinetics from computer supported activities. Use of system dynamics modeling software is one of the suggested quantitative approaches that could

  9. CATALYTIC KINETIC SPECTROPHOTOMETRIC DETERMINATION ...

    African Journals Online (AJOL)

    Preferred Customer

    acetylchlorophosphonazo(CPApA) by hydrogen peroxide in 0.10 M phosphoric acid. A novel catalytic kinetic-spectrophotometric method is proposed for the determination of copper based on this principle. Copper(II) can be determined spectrophotometrically ...

  10. Kinetic energy budget details

    Indian Academy of Sciences (India)

    Abstract. This paper presents the detailed turbulent kinetic energy budget and higher order statistics of flow behind a surface-mounted rib with and without superimposed acoustic excitation. Pattern recognition technique is used to determine the large-scale structure magnitude. It is observed that most of the turbulence ...

  11. Point kinetics modeling

    International Nuclear Information System (INIS)

    Kimpland, R.H.

    1996-01-01

    A normalized form of the point kinetics equations, a prompt jump approximation, and the Nordheim-Fuchs model are used to model nuclear systems. Reactivity feedback mechanisms considered include volumetric expansion, thermal neutron temperature effect, Doppler effect and void formation. A sample problem of an excursion occurring in a plutonium solution accidentally formed in a glovebox is presented

  12. Atom dynamics in laser fields

    International Nuclear Information System (INIS)

    Jang, Su; Mi, No Gin

    2004-12-01

    This book introduces coherent dynamics of internal state, spread of atoms wave speed, semiclassical atoms density matrix such as dynamics equation in both still and moving atoms, excitation of atoms in movement by light, dipole radiating power, quantum statistical mechanics by atoms in movement, semiclassical atoms in movement, atoms in movement in the uniform magnetic field including effects of uniform magnetic field, atom cooling using laser such as Doppler cooling, atom traps using laser and mirrors, radiant heat which particles receive, and near field interactions among atoms in laser light.

  13. Atoms stories; Histoire d`atomes

    Energy Technology Data Exchange (ETDEWEB)

    Radvanyi, P; Bordry, M [Centre National de la Recherche Scientifique (CNRS), 75 - Paris (France)

    1988-12-31

    Physicists from different countries told each evening during one learning week, to an audience of young people, some great discoveries in evoking the difficulties and problems to which the researchers were confronted. From Antiquity to a more recent history, it is a succession of atoms stories. (N.C.)

  14. 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

  15. Study on the GaAs(110) surface using emitted atom spectrometry

    International Nuclear Information System (INIS)

    Gayone, J.E.; Sanchez, E.A.; Grizzi, O.; Universidad Nacional de Cuyo, Mendoza

    1998-01-01

    The facilities implemented at Bariloche for the ion scattering spectrometry is described, and recent examples of the technique application to determine the atomic structure and the composition of metallic and semiconductor surfaces, pure and with different adsorbates. The surface analysis technique using emitted atom spectrometry is discussed. The sensitivity to the GaAs(110) surface atomic relaxation is presented, and the kinetic of hydrogen adsorption by the mentioned surface is studied

  16. Chemical kinetics and modeling of planetary atmospheres

    Science.gov (United States)

    Yung, Yuk L.

    1990-01-01

    A unified overview is presented for chemical kinetics and chemical modeling in planetary atmospheres. The recent major advances in the understanding of the chemistry of the terrestrial atmosphere make the study of planets more interesting and relevant. A deeper understanding suggests that the important chemical cycles have a universal character that connects the different planets and ultimately link together the origin and evolution of the solar system. The completeness (or incompleteness) of the data base for chemical kinetics in planetary atmospheres will always be judged by comparison with that for the terrestrial atmosphere. In the latter case, the chemistry of H, O, N, and Cl species is well understood. S chemistry is poorly understood. In the atmospheres of Jovian planets and Titan, the C-H chemistry of simple species (containing 2 or less C atoms) is fairly well understood. The chemistry of higher hydrocarbons and the C-N, P-N chemistry is much less understood. In the atmosphere of Venus, the dominant chemistry is that of chlorine and sulfur, and very little is known about C1-S coupled chemistry. A new frontier for chemical kinetics both in the Earth and planetary atmospheres is the study of heterogeneous reactions. The formation of the ozone hole on Earth, the ubiquitous photochemical haze on Venus and in the Jovian planets and Titan all testify to the importance of heterogeneous reactions. It remains a challenge to connect the gas phase chemistry to the production of aerosols.

  17. Impact and spreading behavior of cluster atoms bombarding substrates

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Te-Hua, E-mail: fang.tehua@msa.hinet.net [Institute of Mechanical and Electromechanical Engineering, National Formosa University, Yunlin 632, Taiwan (China); Kang, Shao-Hui; Liao, Jia-Hung [Institute of Mechanical and Electromechanical Engineering, National Formosa University, Yunlin 632, Taiwan (China)

    2009-12-15

    The purpose of this study is to investigate the behavior of copper cluster atoms bombarding a substrate using molecule dynamics based on tight-binding second moment approximation (TB-SMA) potential. The simulated results show that a crater on the substrate surface was created by the impact of the clusters. The variations of kinetic energy of cluster bombardments can be divided into three stages. At the initial impact level, the kinetic energies of the clusters and the substrate were constant. Then, the system went into a sluggish stage of energy variation, in which the kinetic energy of the clusters reduced. In the final stage, the kinetic energy of the system became stable. The high slip vector region around the crater had a disorder damage zone. The symmetry-like cross-slip occurred beneath the top layer of the substrate along the <1 1 0> orientations. The spreading index, temperature, and potential functions that affect the bombardments are also discussed.

  18. Impact and spreading behavior of cluster atoms bombarding substrates

    International Nuclear Information System (INIS)

    Fang, Te-Hua; Kang, Shao-Hui; Liao, Jia-Hung

    2009-01-01

    The purpose of this study is to investigate the behavior of copper cluster atoms bombarding a substrate using molecule dynamics based on tight-binding second moment approximation (TB-SMA) potential. The simulated results show that a crater on the substrate surface was created by the impact of the clusters. The variations of kinetic energy of cluster bombardments can be divided into three stages. At the initial impact level, the kinetic energies of the clusters and the substrate were constant. Then, the system went into a sluggish stage of energy variation, in which the kinetic energy of the clusters reduced. In the final stage, the kinetic energy of the system became stable. The high slip vector region around the crater had a disorder damage zone. The symmetry-like cross-slip occurred beneath the top layer of the substrate along the orientations. The spreading index, temperature, and potential functions that affect the bombardments are also discussed.

  19. Why? The nuclear and atomic energy

    International Nuclear Information System (INIS)

    Lee, Kwangwoong

    2009-01-01

    This book is a science comic book for students in elementary school, which contains energy and life such as our body and energy, animal and energy, plant and energy, kinetic energy, potential energy and the principle of the conservation of energy in the first part. The second part explains fossil fuel like coal, petroleum and natural gas. Next it deals with electric power, nuclear energy such as atom and molecule, nuclear fusion and energy for future like solar cell and black hole power plant.

  20. Why? The nuclear and atomic energy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kwangwoong

    2009-01-15

    This book is a science comic book for students in elementary school, which contains energy and life such as our body and energy, animal and energy, plant and energy, kinetic energy, potential energy and the principle of the conservation of energy in the first part. The second part explains fossil fuel like coal, petroleum and natural gas. Next it deals with electric power, nuclear energy such as atom and molecule, nuclear fusion and energy for future like solar cell and black hole power plant.

  1. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip

    2007-01-01

    Explores the atoms that govern chemical processes. This book shows how the interactions between simple substances such as salt and water are crucial to life on Earth and how those interactions are predestined by the atoms that make up the molecules.

  2. Atomic Energy Control Board

    International Nuclear Information System (INIS)

    Blackman, N.S.; Gummer, W.K.

    1982-02-01

    This paper has been prepared to provide an overview of the responsibilities and activities of the Atomic Energy Control Board. It is designed to address questions that are often asked concerning the establishment of the Atomic Energy Control Board, its enabling legislation, licensing and compliance activities, federal-provincial relationships, international obligations, and communications with the public

  3. mu. -nucleon atoms

    Energy Technology Data Exchange (ETDEWEB)

    Dobretsov, Yu; Dolgoshein, B; Kirillov-Ugryumov, V

    1980-12-01

    The properties and formation are described of ..mu..-nucleon atoms, the Larmor method of muon spin precession is discussed and the experimental confirmation of the existence of ..mu..-nucleon atoms is shown. The prospects of their use are indicated.

  4. μ-nucleon atoms

    International Nuclear Information System (INIS)

    Dobretsov, Yu.; Dolgoshejn, B.; Kirillov-Ugryumov, V.

    1980-01-01

    The properties and formation are described of μ-nucleon atoms, the Larmor method of muon spin precession is discussed and the experimental confirmation of the existence of μ-nucleon atoms is shown. The prospects of their use are indicated. (J.P.)

  5. Atomic Ferris wheel beams

    Science.gov (United States)

    Lembessis, Vasileios E.

    2017-07-01

    We study the generation of atom vortex beams in the case where a Bose-Einstein condensate, released from a trap and moving in free space, is diffracted from a properly tailored light mask with a spiral transverse profile. We show how such a diffraction scheme could lead to the production of an atomic Ferris wheel beam.

  6. Atom lithography of Fe

    NARCIS (Netherlands)

    Sligte, te E.; Smeets, B.; van der Stam, K.M.R.; Herfst, R.W.; Straten, van der P.; Beijerinck, H.C.W.; Leeuwen, van K.A.H.

    2004-01-01

    Direct write atom lithography is a technique in which nearly resonant light is used to pattern an atom beam. Nanostructures are formed when the patterned beam falls onto a substrate. We have applied this lithography scheme to a ferromagnetic element, using a 372 nm laser light standing wave to

  7. Beyond the Atom

    Science.gov (United States)

    Cox, John

    2011-08-01

    1. Introduction - the atom in the seventies; 2. The vacuum tube; 3. The new rays; 4. The new substances; 5. Disintegration; 6. A family tree; 7. Verifications and results; 8. The objective reality of molecules; 9. The new atom; Bibliography; Index.

  8. When Atoms Want

    Science.gov (United States)

    Talanquer, Vicente

    2013-01-01

    Chemistry students and teachers often explain the chemical reactivity of atoms, molecules, and chemical substances in terms of purposes or needs (e.g., atoms want or need to gain, lose, or share electrons in order to become more stable). These teleological explanations seem to have pedagogical value as they help students understand and use…

  9. Atom electron scattering

    International Nuclear Information System (INIS)

    Santoso, B.

    1976-01-01

    Green Lippmann-Schwinger functions operator representations, derivation of perturbation method using Green function and atom electron scattering, are discussed. It is concluded that by using complex coordinate places where resonances occur, can be accurately identified. The resonance can be processed further for practical purposes, for example for the separation of atom. (RUW)

  10. Atomic energy for progress

    International Nuclear Information System (INIS)

    1974-01-01

    The film discusses the functions and activities of the Philippine Atomic Energy Commission. Shown are the applications of atomic energy in research, agriculture, engineering, industry and medicine, as well as the construction of the research reactor and its inauguration by President Marcos

  11. Zeeman atomic absorption spectroscopy

    International Nuclear Information System (INIS)

    Loos-Vollebregt, M.T.C. de.

    1980-01-01

    A new method of background correction in atomic absorption spectroscopy has recently been introduced, based on the Zeeman splitting of spectral lines in a magnetic field. A theoretical analysis of the background correction capability observed in such instruments is presented. A Zeeman atomic absorption spectrometer utilizing a 50 Hz sine wave modulated magnetic field is described. (Auth.)

  12. Isotopes and atomic weights

    International Nuclear Information System (INIS)

    Zhang Qinglian

    1990-01-01

    A review of the chemical and mass spectrometric methods of determining the atomic weights of elements is presented. A, special discussion is devoted to the calibration of the mass spectrometer with highly enriched isotopes. It is illustrated by the recent work on europium. How to choose the candidate element for new atomic weight determination forms the last section of the article

  13. The Interaction between Graphene and Oxygen Atom

    Directory of Open Access Journals (Sweden)

    Hao Yifan

    2016-01-01

    Full Text Available Based on the density function theory (DFT method, the interaction between the graphene and oxygen atom is simulated by the B3LYP functional with the 6-31G basis set. Due to the symmetry of graphene (C54H18, D6h, a representative patch is put forward to represent the whole graphene to simplify the description. The representative patch on the surface is considered to gain the potential energy surface (PES. By the calculation of the PES, four possible stable isomers of the C54H18-O radical can be obtained. Meanwhile, the structures and energies of the four possible stable isomers, are further investigated thermodynamically, kinetically, and chemically. According to the transition states, the possible reaction mechanism between the graphene and oxygen atom is given.

  14. LLNL Chemical Kinetics Modeling Group

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  15. Atomic diffusion in stars

    CERN Document Server

    Michaud, Georges; Richer, Jacques

    2015-01-01

    This book gives an overview of atomic diffusion, a fundamental physical process, as applied to all types of stars, from the main sequence to neutron stars. The superficial abundances of stars as well as their evolution can be significantly affected. The authors show where atomic diffusion plays an essential role and how it can be implemented in modelling.  In Part I, the authors describe the tools that are required to include atomic diffusion in models of stellar interiors and atmospheres. An important role is played by the gradient of partial radiative pressure, or radiative acceleration, which is usually neglected in stellar evolution. In Part II, the authors systematically review the contribution of atomic diffusion to each evolutionary step. The dominant effects of atomic diffusion are accompanied by more subtle effects on a large number of structural properties throughout evolution. One of the goals of this book is to provide the means for the astrophysicist or graduate student to evaluate the importanc...

  16. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

    This expanded and updated well-established textbook contains an advanced presentation of quantum mechanics adapted to the requirements of modern atomic physics. It includes topics of current interest such as semiclassical theory, chaos, atom optics and Bose-Einstein condensation in atomic gases. In order to facilitate the consolidation of the material covered, various problems are included, together with complete solutions. The emphasis on theory enables the reader to appreciate the fundamental assumptions underlying standard theoretical constructs and to embark on independent research projects. The fourth edition of Theoretical Atomic Physics contains an updated treatment of the sections involving scattering theory and near-threshold phenomena manifest in the behaviour of cold atoms (and molecules). Special attention is given to the quantization of weakly bound states just below the continuum threshold and to low-energy scattering and quantum reflection just above. Particular emphasis is laid on the fundamen...

  17. Antiprotonic-hydrogen atoms

    International Nuclear Information System (INIS)

    Batty, C.J.

    1989-07-01

    Experimental studies of antiprotonic-hydrogen atoms have recently made great progress following the commissioning of the low energy antiproton facility (LEAR) at CERN in 1983. At the same time our understanding of the atomic cascade has increased considerably through measurements of the X-ray spectra. The life history of the p-bar-p atom is considered in some detail, from the initial capture of the antiproton when stopping in hydrogen, through the atomic cascade with the emission of X-rays, to the final antiproton annihilation and production of mesons. The experiments carried out at LEAR are described and the results compared with atomic cascade calculations and predictions of strong interaction effects. (author)

  18. Direct in situ observations of single Fe atom catalytic processes and anomalous diffusion at graphene edges

    Science.gov (United States)

    Zhao, Jiong; Deng, Qingming; Avdoshenko, Stanislav M.; Fu, Lei; Eckert, Jürgen; Rümmeli, Mark H.

    2014-01-01

    Single-atom catalysts are of great interest because of their high efficiency. In the case of chemically deposited sp2 carbon, the implementation of a single transition metal atom for growth can provide crucial insight into the formation mechanisms of graphene and carbon nanotubes. This knowledge is particularly important if we are to overcome fabrication difficulties in these materials and fully take advantage of their distinct band structures and physical properties. In this work, we present atomically resolved transmission EM in situ investigations of single Fe atoms at graphene edges. Our in situ observations show individual iron atoms diffusing along an edge either removing or adding carbon atoms (viz., catalytic action). The experimental observations of the catalytic behavior of a single Fe atom are in excellent agreement with supporting theoretical studies. In addition, the kinetics of Fe atoms at graphene edges are shown to exhibit anomalous diffusion, which again, is in agreement with our theoretical investigations. PMID:25331874

  19. Formation of hollow atoms above a surface

    Science.gov (United States)

    Briand, Jean Pierre; Phaneuf, Ronald; Terracol, Stephane; Xie, Zuqi

    2012-06-01

    Slow highly stripped ions approaching or penetrating surfaces are known to capture electrons into outer shells of the ions, leaving the innermost shells empty, and forming hollow atoms. Electron capture occurs above and below the surfaces. The existence of hollow atoms below surfaces e.g. Ar atoms whose K and L shells are empty, with all electrons lying in the M and N shells, was demonstrated in 1990 [1]. At nm above surfaces, the excited ions may not have enough time to decay before hitting the surfaces, and the formation of hollow atoms above surfaces has even been questioned [2]. To observe it, one must increase the time above the surface by decelerating the ions. We have for the first time decelerated O^7+ ions to energies as low as 1 eV/q, below the minimum energy gained by the ions due to the acceleration by their image charge. As expected, no ion backscattering (trampoline effect) above dielectric (Ge) was observed and at the lowest ion kinetic energies, most of the observed x-rays were found to be emitted by the ions after surface contact. [4pt] [1] J. P. Briand et al., Phys.Rev.Lett. 65(1990)159.[0pt] [2] J.P. Briand, AIP Conference Proceedings 215 (1990) 513.

  20. Design considerations regarding an atomizer for multi-element electrothermal atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Katskov, Dmitri A., E-mail: katskovda@tut.ac.za [Department of Chemistry, Tshwane University of Technology, Private Bag X680, Pretoria 0001 (South Africa); Sadagov, Yuri M. [All-Russian Scientific Research Institute of Optical and Physical Measurements (VNIIOFI), Ozernaya St. 46, Moscow 119361 (Russian Federation)

    2011-06-15

    The methodology of simultaneous multi-element electrothermal atomic absorption spectrometry (ETAAS-Electrothermal Atomic Absorption Spectrometry) stipulates rigid requirements to the design and operation of the atomizer. It must provide high degree of atomization for the group of analytes, invariant respective to the vaporization kinetics and heating ramp residence time of atoms in the absorption volume and absence of memory effects from major sample components. For the low resolution spectrometer with a continuum radiation source the reduced compared to traditional ETAAS (Electrothermal Atomic Absorption Spectrometry) sensitivity should be, at least partially, compensated by creating high density of atomic vapor in the absorption pulse. The sought-for characteristics were obtained for the 18 mm in length and 2.5 mm in internal diameter longitudinally heated graphite tube atomizer furnished with 2-4.5 mg of ring shaped carbon fiber yarn collector. The collector located next to the sampling port provides large substrate area that helps to keep the sample and its residue in the central part of the tube after drying. The collector also provides a 'platform' effect that delays the vaporization and stipulates vapor release into absorption volume having already stabilized gas temperature. Due to the shape of external surface of the tube, presence of collector and rapid (about 10 {sup o}C/ms) heating, an inverse temperature distribution along the tube is attained at the beginnings of the atomization and cleaning steps. The effect is employed for cleaning of the atomizer using the set of short maximum power heating pulses. Preparation, optimal maintenance of the atomizer and its compliance to the multi-element determination requirements are evaluated and discussed. The experimental setup provides direct simultaneous determination of large group of element within 3-4 order concentration range. Limits of detection are close to those for sequential single element

  1. Using Beads and Divided Containers to Study Kinetic and Equilibrium Isotope Effects in the Laboratory and in the Classroom

    Science.gov (United States)

    Campbell, Dean J.; Brewer, Emily R.; Martinez, Keri A.; Fitzjarrald, Tamara J.

    2017-01-01

    The purpose of this laboratory experiment is to study fundamental concepts of kinetics and equilibria and the isotope effects associated with both of these concepts. The concepts of isotopes in introductory and general chemistry courses are typically used within the contexts of atomic weights and radioactivity. Kinetic and equilibrium isotope…

  2. Kinetic energy absorbing pad

    International Nuclear Information System (INIS)

    Bricmont, R.J.; Hamilton, P.A.; Ming Long Ting, R.

    1981-01-01

    Reactors, fuel processing plants etc incorporate pipes and conduits for fluids under high pressure. Fractures, particularly adjacent to conduit elbows, produce a jet of liquid which whips the broken conduit at an extremely high velocity. An enormous impact load would be applied to any stationary object in the conduit's path. The design of cellular, corrugated metal impact pads to absorb the kinetic energy of the high velocity conduits is given. (U.K.)

  3. 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

  4. Decomposition kinetics of plutonium hydride

    Energy Technology Data Exchange (ETDEWEB)

    Haschke, J.M.; Stakebake, J.L.

    1979-01-01

    Kinetic data for decomposition of PuH/sub 1/ /sub 95/ provides insight into a possible mechanism for the hydriding and dehydriding reactions of plutonium. The fact that the rate of the hydriding reaction, K/sub H/, is proportional to P/sup 1/2/ and the rate of the dehydriding process, K/sub D/, is inversely proportional to P/sup 1/2/ suggests that the forward and reverse reactions proceed by opposite paths of the same mechanism. The P/sup 1/2/ dependence of hydrogen solubility in metals is characteristic of the dissociative absorption of hydrogen; i.e., the reactive species is atomic hydrogen. It is reasonable to assume that the rates of the forward and reverse reactions are controlled by the surface concentration of atomic hydrogen, (H/sub s/), that K/sub H/ = c'(H/sub s/), and that K/sub D/ = c/(H/sub s/), where c' and c are proportionality constants. For this surface model, the pressure dependence of K/sub D/ is related to (H/sub s/) by the reaction (H/sub s/) reversible 1/2H/sub 2/(g) and by its equilibrium constant K/sub e/ = (H/sub 2/)/sup 1/2//(H/sub s/). In the pressure range of ideal gas behavior, (H/sub s/) = K/sub e//sup -1/(RT)/sup -1/2/ and the decomposition rate is given by K/sub D/ = cK/sub e/(RT)/sup -1/2/P/sup 1/2/. For an analogous treatment of the hydriding process with this model, it can be readily shown that K/sub H/ = c'K/sub e//sup -1/(RT)/sup -1/2/P/sup 1/2/. The inverse pressure dependence and direct temperature dependence of the decomposition rate are correctly predicted by this mechanism which is most consistent with the observed behavior of the Pu--H system.

  5. Atomic mass spectrometry

    International Nuclear Information System (INIS)

    Sanz-Medel, A.

    1997-01-01

    The elemental inorganic analysis seems to be dominated today by techniques based on atomic spectrometry. After an evaluation of advantages and limitations of using mass analysers (ion detectors) versus conventional photomultipliers (photon detector) a brief review of the more popular techniques of the emerging Atomic Mass spectrometry is carried out. Their huge potential for inorganic trace analysis is such that in the future we could well witness how this end of the century and millennium marked the fall of the photons empire in Analytical Atomic Spectrometry. (Author)

  6. Physics of the atom

    CERN Document Server

    Wehr, Russell M; Adair, Thomas W

    1984-01-01

    The fourth edition of Physics of the Atom is designed to meet the modern need for a better understanding of the atomic age. It is an introduction suitable for students with a background in university physics and mathematical competence at the level of calculus. This book is designed to be an extension of the introductory university physics course into the realm of atomic physics. It should give students a proficiency in this field comparable to their proficiency in mechanics, heat, sound, light, and electricity.

  7. Atom trap trace analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Z.-T.; Bailey, K.; Chen, C.-Y.; Du, X.; Li, Y.-M.; O' Connor, T. P.; Young, L.

    2000-05-25

    A new method of ultrasensitive trace-isotope analysis has been developed based upon the technique of laser manipulation of neutral atoms. It has been used to count individual {sup 85}Kr and {sup 81}Kr atoms present in a natural krypton sample with isotopic abundances in the range of 10{sup {minus}11} and 10{sup {minus}13}, respectively. The atom counts are free of contamination from other isotopes, elements,or molecules. The method is applicable to other trace-isotopes that can be efficiently captured with a magneto-optical trap, and has a broad range of potential applications.

  8. Division of atomic physics

    International Nuclear Information System (INIS)

    Kroell, S.

    1994-01-01

    The Division of Atomic Physics, Lund Institute of Technology (LTH), is responsible for the basic physics teaching in all subjects at LTH and for specialized teaching in Optics, Atomic Physics, Atomic and Molecular Spectroscopy and Laser Physics. The Division has research activities in basic and applied optical spectroscopy, to a large extent based on lasers. It is also part of the Physics Department, Lund University, where it forms one of eight divisions. Since the beginning of 1980 the research activities of our division have been centred around the use of lasers. The activities during the period 1991-1992 is described in this progress reports

  9. Atom trap trace analysis

    International Nuclear Information System (INIS)

    Lu, Z.-T.; Bailey, K.; Chen, C.-Y.; Du, X.; Li, Y.-M.; O'Connor, T. P.; Young, L.

    2000-01-01

    A new method of ultrasensitive trace-isotope analysis has been developed based upon the technique of laser manipulation of neutral atoms. It has been used to count individual 85 Kr and 81 Kr atoms present in a natural krypton sample with isotopic abundances in the range of 10 -11 and 10 -13 , respectively. The atom counts are free of contamination from other isotopes, elements,or molecules. The method is applicable to other trace-isotopes that can be efficiently captured with a magneto-optical trap, and has a broad range of potential applications

  10. Calcite Dissolution Kinetics

    Science.gov (United States)

    Berelson, W.; Subhas, A.; Dong, S.; Naviaux, J.; Adkins, J. F.

    2016-12-01

    A geological buffer for high atmospheric CO2 concentrations is neutralization via reaction with CaCO3. We have been studying the dissolution kinetics of carbonate minerals using labeled 13C calcite and Picarro-based measurements of 13C enrichments in solution DIC. This methodology has greatly facilitated our investigation of dissolution kinetics as a function of water carbonate chemistry, temperature and pressure. One can adjust the saturation state Omega by changing the ion activity product (e.g. adjusting carbonate ion concentration), or by changing the solubility product (e.g. adjusting temperature or pressure). The canonical formulation of dissolution rate vs. omega has been refined (Subhas et al. 2015) and shows distinct non-linear behavior near equilibrium and rates in sea water of 1-3 e-6 g/cm2day at omega = 0.8. Carbonic anhydrase (CA), an enzyme that catalyzes the hydration of dissolved CO2 to carbonic acid, was shown (in concentrations 500x. This result points to the importance of carbonic acid in enhancing dissolution at low degrees of undersaturation. CA activity and abundance in nature must be considered regarding the role it plays in catalyzing dissolution. We also have been investigating the role of temperature on dissolution kinetics. An increase of 16C yields an order of magnitude increase in dissolution rate. Temperature (and P) also change Omega critical, the saturation state where dissolution rates change substantially. Increasing pressure (achieved in a pressure reaction chamber we built) also shifts Omega critical closer to equilibrium and small pressure increases have large impact on dissolution kinetics. Dissolution rates are enhanced by an order of magnitude for a change in pressure of 1500 psi relative to the dissolution rate achieved by water chemistry effects alone for an omega of 0.8. We've shown that the thermodynamic determination of saturation state does not adequately describe the kinetics of dissolution. The interplay of mineral

  11. Section of Atomic Collisions

    International Nuclear Information System (INIS)

    Berenyi, D.; Biri, S.; Gulyas, L.; Juhasz, Z.; Kover, A.; Orban, A.; Palinkas, J.; Papp, T.; Racz, R.; Ricz, S.

    2009-01-01

    The Section of Atomic Collisions is a research unit with extended activity in the field of atomic and molecular physics. Starting from the study of atomic processes at the beamlines of nuclear physics accelerators in the seventies, our research community became one of the centers of fundamental research in Atomki. We also have a strong connection to materials sciences especially along the line of electron and ion spectroscopy methods. Our present activity covers a wide range of topics from atomic collision mechanisms of fundamental interest, to the complex interactions of electrons, ions, photons and antiparticles with atoms, molecules, surfaces, and specific nanostructures. In the last few years, an increasing fraction of our present topics has become relevant for applications, e.g., molecular collision studies for the radiation therapy methods of tumors, or ion-nanostructure interactions for the future construction of small ion-focusing elements. Our section belongs to the Division of Atomic Physics. The other unit of the Division is the Section of Electron Spectroscopy and Materials Sciences. There are traditionally good connections and a strong collaboration between the groups of the two sections in many fields. From the very beginning of our research work in atomic collisions, external collaborations were of vital importance for us. We regularly organize international workshops in the field of fast ion-atom collisions and related small conferences in Debrecen from 1981. Recently, we organized the Conference on Radiation Damage in Biomolecular Systems (RADAM 2008, Debrecen), and coorganized the Conference on Elementary Processes in Atomic Systems (CEPAS 2008, Cluj). We have access to several large scale facilities in Europe within the framework of formal and informal collaborations. The next themes are in this article: Forward electron emission from energetic atomic collisions; Positron-atom collisions; Photon-atom interactions; Interference effects in electron

  12. 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)

  13. Analysis of a single-atom dipole trap

    International Nuclear Information System (INIS)

    Weber, Markus; Volz, Juergen; Saucke, Karen; Kurtsiefer, Christian; Weinfurter, Harald

    2006-01-01

    We describe a simple experimental technique which allows us to store a single 87 Rb atom in an optical dipole trap. Due to light-induced two-body collisions during the loading stage of the trap the maximum number of captured atoms is locked to one. This collisional blockade effect is confirmed by the observation of photon antibunching in the detected fluorescence light. The spectral properties of single photons emitted by the atom were studied with a narrow-band scanning cavity. We find that the atomic fluorescence spectrum is dominated by the spectral width of the exciting laser light field. In addition we observe a spectral broadening of the atomic fluorescence light due to the Doppler effect. This allows us to determine the mean kinetic energy of the trapped atom corresponding to a temperature of 105 μK. This simple single-atom trap is the key element for the generation of atom-photon entanglement required for future applications in quantum communication and a first loophole-free test of Bell's inequality

  14. History of early atomic clocks

    International Nuclear Information System (INIS)

    Ramsey, N.F.

    2005-01-01

    This review of the history of early atomic clocks includes early atomic beam magnetic resonance, methods of separated and successive oscillatory fields, microwave absorption, optical pumping and atomic masers. (author)

  15. Atomic Energy Authority Bill

    International Nuclear Information System (INIS)

    Gray, J.H.N.; Stoddart, D.L.; Sinclair, R.M.; Ezra, D.

    1985-01-01

    The House, in Committee, discussed the following matters in relation to the Atomic Energy Authority Bill; financing; trading; personnel conditions of employment; public relations; organization; research programmes; fuels; energy sources; information dissemination. (U.K.)

  16. Atomic and Molecular Interactions

    International Nuclear Information System (INIS)

    2002-01-01

    The Gordon Research Conference (GRC) on Atomic and Molecular Interactions was held at Roger Williams University, Bristol, RI. Emphasis was placed on current unpublished research and discussion of the future target areas in this field

  17. Zeeman atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Hadeishi, T.; McLaughlin, R.

    1978-08-01

    The design and development of a Zeeman atomic absorption spectrometer for trace element analysis are described. An instruction manual is included which details the operation, adjustment, and maintenance. Specifications and circuit diagrams are given

  18. Optics With Cold Atoms

    National Research Council Canada - National Science Library

    Hau, Lene

    2004-01-01

    .... And to test the novel atom sensor, we have built a moving-molasses magneto-optical trap in a geometry tailor-suited to the nanotube detector geometry, involving construction of a highly stable laser...

  19. Atomic Energy Control Regulations

    International Nuclear Information System (INIS)

    1992-01-01

    This is the consolidated text of the Atomic Energy Control Regulations of 17 March 1960, with amendments to 27 August 1992. The Regulations cover the licensing of nuclear facilities, radiation sources, including uranium mining, radiation protection questions, etc. (NEA)

  20. The atomic conflict

    International Nuclear Information System (INIS)

    Mez, L.

    1981-01-01

    This book provides a general view at the atomic programmes of several countries and makes an attempt to unmask the atomic industrial combines with their interlockings. The governments role is analysed as well as the atomic policy of the parties, union-trades and associations. Then, the anti-atomic movements in those countries, their forms of resistance, the resonance and the alternative proposals are presented. The countries concerned are Australia, the FRG, COMECON, Danmark, the EG, Finland, France, Great Britain, Ireland, Japan, the Netherlands, Norway, Austria, Sweden, Switzerland, Spain and the USA. For the pocket book version, Lutz Mez adds an updating epilogue which continues with the developments until springtime 1981. (orig./HP) [de

  1. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1998-01-01

    This volume continues the series'' cutting-edge reviews on developments in this field. Since its invention in the 1920s, electrostatic precipitation has been extensively used in industrial hygiene to remove dust and particulate matter from gases before entering the atmosphere. This combination of electrostatic precipitation is reported upon in the first chapter. Following this, chapter two reviews recent advances in the area of chemical modification in electrothermal atomization. Chapter three consists of a review which deal with advances and uses of electrothermal atomization atomic absorption spectrometry. Flow injection atomic spectroscopy has developed rapidly in recent years and after a general introduction, various aspects of this technique are looked at in chapter four. Finally, in chapter five the use of various spectrometric techniques for the determination of mercury are described.

  2. Atom chip gravimeter

    Science.gov (United States)

    Schubert, Christian; Abend, Sven; Gebbe, Martina; Gersemann, Matthias; Ahlers, Holger; Müntinga, Hauke; Matthias, Jonas; Sahelgozin, Maral; Herr, Waldemar; Lämmerzahl, Claus; Ertmer, Wolfgang; Rasel, Ernst

    2016-04-01

    Atom interferometry has developed into a tool for measuring rotations [1], accelerations [2], and testing fundamental physics [3]. Gravimeters based on laser cooled atoms demonstrated residual uncertainties of few microgal [2,4] and were simplified for field applications [5]. Atomic gravimeters rely on the interference of matter waves which are coherently manipulated by laser light fields. The latter can be interpreted as rulers to which the position of the atoms is compared. At three points in time separated by a free evolution, the light fields are pulsed onto the atoms. First, a coherent superposition of two momentum states is produced, then the momentum is inverted, and finally the two trajectories are recombined. Depending on the acceleration the atoms experienced, the number of atoms detected in the output ports will change. Consequently, the acceleration can be determined from the output signal. The laser cooled atoms with microkelvin temperatures used in state-of-the-art gravimeters impose limits on the accuracy [4]. Therefore, ultra-cold atoms generated by Bose-Einstein condensation and delta-kick collimation [6,7] are expected to be the key for further improvements. These sources suffered from a low flux implying an incompatible noise floor, but a competitive performance was demonstrated recently with atom chips [8]. In the compact and robust setup constructed for operation in the drop tower [6] we demonstrated all steps necessary for an atom chip gravimeter with Bose-Einstein condensates in a ground based operation. We will discuss the principle of operation, the current performance, and the perspectives to supersede the state of the art. The authors thank the QUANTUS cooperation for contributions to the drop tower project in the earlier stages. This work is supported by the German Space Agency (DLR) with funds provided by the Federal Ministry for Economic Affairs and Energy (BMWi) due to an enactment of the German Bundestag under grant numbers DLR 50WM

  3. Atoms at work

    International Nuclear Information System (INIS)

    1982-07-01

    This illustrated booklet discusses the following: atoms; fission of uranium; nuclear power plants; reactor types; plutonium (formation, properties, uses); radioactive waste (fuel cycle, reprocessing, waste management); nuclear fusion; fusion reactors; radiation; radioisotopes and their uses. (U.K.)

  4. Topics in atomic physics

    CERN Document Server

    Burkhardt, Charles E

    2006-01-01

    The study of atomic physics propelled us into the quantum age in the early twentieth century and carried us into the twenty-first century with a wealth of new and, in some cases, unexplained phenomena. Topics in Atomic Physics provides a foundation for students to begin research in modern atomic physics. It can also serve as a reference because it contains material that is not easily located in other sources. A distinguishing feature is the thorough exposition of the quantum mechanical hydrogen atom using both the traditional formulation and an alternative treatment not usually found in textbooks. The alternative treatment exploits the preeminent nature of the pure Coulomb potential and places the Lenz vector operator on an equal footing with other operators corresponding to classically conserved quantities. A number of difficult to find proofs and derivations are included as is development of operator formalism that permits facile solution of the Stark effect in hydrogen. Discussion of the classical hydrogen...

  5. Atomic Interferometry, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Vertical cavity surface emitting lasers (VCSELs) is a new technology which can be used for developing high performance laser components for atom-based sensors...

  6. Atomic bomb cataracts

    International Nuclear Information System (INIS)

    Shiraeda, Kanji

    1992-01-01

    Eye disturbance caused by atomic bomb radiation can be divided into three groups: direct injury immediately after exposure, eye lesions associated with radiation syndrome, and delayed disturbance. The crystalline lens of the eye is the most radiosensitive. Atomic bomb cataract has been investigated in a number of studies. The first section of this chapter discusses radiation cataract in terms of the incidence and characteristics. The second section deals with atomic bomb cataract, which can be diagnosed based on the four criteria: (1) opacity of the crystalline lens, (2) a history of proximal exposure, (3) lack of eye disease complicating cataract, and (4) non-exposure to radiation other than atomic bombing. The prevalence of cataract and severity of opacity are found to correlate with exposure doses and age at the time of exposure. Furthermore, it is found to correlate with distance from the hypocenter, the condition of shielding, epilation, and the presence or absence or degree of radiation syndrome. (N.K.)

  7. Amyloid protein unfolding and insertion kinetics on neuronal membrane mimics

    Science.gov (United States)

    Qiu, Liming; Buie, Creighton; Vaughn, Mark; Cheng, Kwan

    2010-03-01

    Atomistic details of beta-amyloid (Aβ ) protein unfolding and lipid interaction kinetics mediated by the neuronal membrane surface are important for developing new therapeutic strategies to prevent and cure Alzheimer's disease. Using all-atom MD simulations, we explored the early unfolding and insertion kinetics of 40 and 42 residue long Aβ in binary lipid mixtures with and without cholesterol that mimic the cholesterol-depleted and cholesterol-enriched lipid nanodomains of neurons. The protein conformational transition kinetics was evaluated from the secondary structure profile versus simulation time plot. The extent of membrane disruption was examined by the calculated order parameters of lipid acyl chains and cholesterol fused rings as well as the density profiles of water and lipid headgroups at defined regions across the lipid bilayer from our simulations. Our results revealed that both the cholesterol content and the length of the protein affect the protein-insertion and membrane stability in our model lipid bilayer systems.

  8. Internal Diffusion-Controlled Enzyme Reaction: The Acetylcholinesterase Kinetics.

    Science.gov (United States)

    Lee, Sangyun; Kim, Ji-Hyun; Lee, Sangyoub

    2012-02-14

    Acetylcholinesterase is an enzyme with a very high turnover rate; it quenches the neurotransmitter, acetylcholine, at the synapse. We have investigated the kinetics of the enzyme reaction by calculating the diffusion rate of the substrate molecule along an active site channel inside the enzyme from atomic-level molecular dynamics simulations. In contrast to the previous works, we have found that the internal substrate diffusion is the determinant of the acetylcholinesterase kinetics in the low substrate concentration limit. Our estimate of the overall bimolecular reaction rate constant for the enzyme is in good agreement with the experimental data. In addition, the present calculation provides a reasonable explanation for the effects of the ionic strength of solution and the mutation of surface residues of the enzyme. The study suggests that internal diffusion of the substrate could be a key factor in understanding the kinetics of enzymes of similar characteristics.

  9. The Atomic Energy Control Board

    International Nuclear Information System (INIS)

    Doern, G.B.

    1976-01-01

    This study describes and assesses the regulatory and administrative processes and procedures of the Atomic Energy Control Board, the AECB. The Atomic Energy Control Act authorized the AECB to control atomic energy materials and equipment in the national interest and to participate in measures for the international control of atomic energy. The AECB is authorized to make regulations to control atomic energy materials and equipment and to make grants in support of atomic energy research. (author)

  10. Harnessing the atom

    International Nuclear Information System (INIS)

    1999-01-01

    Splitting the atom has had a major impact on the history of the latter part of the 20th century. This film depicts the many benefits - and also drawbacks - of nuclear technology, and describes how the International Atomic Energy Agency performs its various tasks. It touches on challenges such as the choice between major energy sources, growing concerns about the global climate, and prospects for nuclear arms control and disarmament

  11. Atomic Energy Act 1946

    International Nuclear Information System (INIS)

    1946-01-01

    This Act provides for the development of atomic energy in the United Kingdom and for its control. It details the duties and powers of the competent Minister, in particular his powers to obtain information on and to inspect materials, plant and processes, to control production and use of atomic energy and publication of information thereon. Also specified is the power to search for and work minerals and to acquire property. (NEA) [fr

  12. Hirshfeld atom refinement.

    Science.gov (United States)

    Capelli, Silvia C; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan

    2014-09-01

    Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly-l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree-Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints - even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's), all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å(2) as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements - an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  13. Manipulating atoms with photons

    International Nuclear Information System (INIS)

    Cohen-Tannoudji, C.N.

    1998-01-01

    The article is a translation of the lecture delivered on the occasion of the 1997 Nobel Prize awarding ceremony. The physical mechanisms which allow manipulating of neutral atoms with laser photons are described. A remark is also made concerning several possible applications of ultra-cool atoms and streams of future research. The article is completed by Prof. Cohen-Tannoudji's autobiography. (Z.J.)

  14. Atoms, molecules & elements

    CERN Document Server

    Graybill, George

    2007-01-01

    Young scientists will be thrilled to explore the invisible world of atoms, molecules and elements. Our resource provides ready-to-use information and activities for remedial students using simplified language and vocabulary. Students will label each part of the atom, learn what compounds are, and explore the patterns in the periodic table of elements to find calcium (Ca), chlorine (Cl), and helium (He) through hands-on activities.

  15. 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...

  16. Atomic properties in hot plasmas from levels to superconfigurations

    CERN Document Server

    Bauche, Jacques; Peyrusse, Olivier

    2015-01-01

    This book is devoted to the calculation of hot-plasma properties which generally requires a huge number of atomic data. It is the first book that combines information on the details of the basic atomic physics and its application to atomic spectroscopy with the use of the relevant statistical approaches. Information like energy levels, radiative rates, collisional and radiative cross-sections, etc., must be included in equilibrium or non-equilibrium models in order to describe both the atomic-population kinetics and the radiative properties. From the very large number of levels and transitions involved in complex ions, some statistical (global) properties emerge. The book presents a coherent set of concepts and compact formulas suitable for tractable and accurate calculations. The topics addressed are: radiative emission and absorption, and a dozen of other collisional and radiative processes; transition arrays between level ensembles (configurations, superconfigurations); effective temperatures of configurat...

  17. Atomic bomb and leukemia

    Energy Technology Data Exchange (ETDEWEB)

    Ichimaru, M; Tomonaga, M; Amenomori, T; Matsuo, T [Nagasaki Univ. (Japan). School of Medicine

    1991-12-01

    Characteristic features of the leukemia among atomic bomb survivors were studied. Dose estimates of atomic bomb radiation were based on T65D, but the new dosimetry system DS86 was used for some analyses. The ratio of a single leukemia type to all leukemias was highest for chronic myelogenous leukemia (CML) in Hiroshima, and the occurrence of CML was thought to be most characteristic to atomic bomb radiation induced leukemia. The threshold of CML occurrence in Hiroshima is likely to be between 0.5{approx}0.09 Gy. However, the threshold of acute leukemia appears to be nearly 1 Gy. In the distribution of acute myeloid leukemia (AML) subtypes by French-American-British classification, there was no M3 case in 1 Gy or more group, although several atypical AML cases of survivors were observed. Although aplastic anemia has not increased as a late effect of the atomic bomb radiation exposure, many atypical leukemia or other myeloproliferative diseases who had been diagnosed as aplastic anemia or its related diseases have been experienced among atomic bomb survivors. Chromosome study was conducted using colony forming cells induced by hemopoietic stem cells of peripheral blood of proximal survivors. Same chromosome aberrations were observed in colony forming cells and peripheral T-cells in several atomic bomb survivors. (author).

  18. On the bosonic atoms

    Science.gov (United States)

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

    2018-01-01

    We investigate ground state properties of atoms, in which substitute fermions - electrons by bosons, namely π --mesons. We perform some calculations in the frame of modified Hartree-Fock (HF) equation. The modification takes into account symmetry, instead of anti-symmetry of the pair identical bosons wave function. The modified HF approach thus enhances (doubles) the effect of self-action for the boson case. Therefore, we accordingly modify the HF equations by eliminating the self-action terms "by hand". The contribution of meson-meson and meson-nucleon non-Coulomb interaction is inessential at least for atoms with low and intermediate nuclear charge, which is our main subject. We found that the binding energy of pion negative ions A π - , pion atoms A π , and the number of extra bound pions ΔN π increases with the growth of nuclear charge Z. For e.g. Xe ΔN π = 4. As an example of a simple process with a pion atom, we consider photoionization that differs essentially from that for electron atoms. Namely, it is not monotonic decreasing from the threshold but has instead a prominent maximum above threshold. We study also elastic scattering of pions by pion atoms.

  19. Electron - atom bremsstrahlung

    International Nuclear Information System (INIS)

    Kim, L.

    1986-01-01

    Features of bremsstrahlung radiation from neutral atoms and atoms in hot dense plasmas are studied. Predictions for the distributions of electron-atom bremsstrahlung radiation for both the point-Coulomb potential and screened potentials are obtained using a classical numerical method. Results agree with exact quantum-mechanical partial-wave results for low incident electron energies in both the point-Coulomb and screened potentials. In the screened potential, the asymmetry parameter of a spectrum is reduced from the Coulomb values. The difference increases with decreasing energy and begins to oscillate at very low energies. The scaling properties of bremsstrahlung spectra and energy losses were also studied. It was found that the ratio of the radiative energy loss for positrons to that for electrons obeys a simple scaling law, being expressible fairly accurately as a function only of the quantity T 1 /Z 2 . This scaling is exact in the case of the point-Coulomb potential, both for classical bremsstrahlung and for the nonrelativistic dipole Sommerfeld formula. Bremsstrahlung from atoms in hot dense plasmas were also studied describing the atomic potentials by the temperature-and-density dependent Thomas-Fermi mode. Gaunt factors were obtained with the relativistic partial-wave method for atoms in plasmas of various densities and temperatures

  20. FAO and atomic energy

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1960-07-15

    During the past six years FAO has become more engaged in work concerned with atomic energy. In 1957 it established an Atomic Energy Branch. The new forces and new tools which have become available for use in the fight against poverty, disease and malnutrition can be of the greatest assistance in FAO's work in nearly all phases of the production, storage and distribution of food and other agricultural products. The Organization promotes their use to improve the standards of feeding, clothing and housing throughout the world. Another side of work related to atomic energy is concerned with combating contamination from the use of atomic energy for power production and other purposes. This raises considerable problems for food and agriculture, so that FAO also has a responsibility for assisting Governments in safeguarding their food and food-producing resources from contamination. FAO is essentially concerned with fostering wider knowledge of the many contributions that atomic science can make to agriculture, forestry, fisheries and nutrition. It is also concerned in assisting governments to establish sound programmes for applying atomic science in food and agriculture. One way of spreading such knowledge is through the publication of documents and reports

  1. Atomic clocks for geodesy

    Science.gov (United States)

    Mehlstäubler, Tanja E.; Grosche, Gesine; Lisdat, Christian; Schmidt, Piet O.; Denker, Heiner

    2018-06-01

    We review experimental progress on optical atomic clocks and frequency transfer, and consider the prospects of using these technologies for geodetic measurements. Today, optical atomic frequency standards have reached relative frequency inaccuracies below 10‑17, opening new fields of fundamental and applied research. The dependence of atomic frequencies on the gravitational potential makes atomic clocks ideal candidates for the search for deviations in the predictions of Einstein’s general relativity, tests of modern unifying theories and the development of new gravity field sensors. In this review, we introduce the concepts of optical atomic clocks and present the status of international clock development and comparison. Besides further improvement in stability and accuracy of today’s best clocks, a large effort is put into increasing the reliability and technological readiness for applications outside of specialized laboratories with compact, portable devices. With relative frequency uncertainties of 10‑18, comparisons of optical frequency standards are foreseen to contribute together with satellite and terrestrial data to the precise determination of fundamental height reference systems in geodesy with a resolution at the cm-level. The long-term stability of atomic standards will deliver excellent long-term height references for geodetic measurements and for the modelling and understanding of our Earth.

  2. FAO and atomic energy

    International Nuclear Information System (INIS)

    1960-01-01

    During the past six years FAO has become more engaged in work concerned with atomic energy. In 1957 it established an Atomic Energy Branch. The new forces and new tools which have become available for use in the fight against poverty, disease and malnutrition can be of the greatest assistance in FAO's work in nearly all phases of the production, storage and distribution of food and other agricultural products. The Organization promotes their use to improve the standards of feeding, clothing and housing throughout the world. Another side of work related to atomic energy is concerned with combating contamination from the use of atomic energy for power production and other purposes. This raises considerable problems for food and agriculture, so that FAO also has a responsibility for assisting Governments in safeguarding their food and food-producing resources from contamination. FAO is essentially concerned with fostering wider knowledge of the many contributions that atomic science can make to agriculture, forestry, fisheries and nutrition. It is also concerned in assisting governments to establish sound programmes for applying atomic science in food and agriculture. One way of spreading such knowledge is through the publication of documents and reports

  3. Atomic bomb and leukemia

    International Nuclear Information System (INIS)

    Ichimaru, M.; Tomonaga, M.; Amenomori, T.; Matsuo, T.

    1991-01-01

    Characteristic features of the leukemia among atomic bomb survivors were studied. Dose estimates of atomic bomb radiation were based on T65D, but the new dosimetry system DS86 was used for some analyses. The ratio of a single leukemia type to all leukemias was highest for chronic myelogenous leukemia (CML) in Hiroshima, and the occurrence of CML was thought to be most characteristic to atomic bomb radiation induced leukemia. The threshold of CML occurrence in Hiroshima is likely to be between 0.5∼0.09 Gy. However, the threshold of acute leukemia appears to be nearly 1 Gy. In the distribution of acute myeloid leukemia (AML) subtypes by French-American-British classification, there was no M3 case in 1 Gy or more group, although several atypical AML cases of survivors were observed. Although aplastic anemia has not increased as a late effect of the atomic bomb radiation exposure, many atypical leukemia or other myeloproliferative diseases who had been diagnosed as aplastic anemia or its related diseases have been experienced among atomic bomb survivors. Chromosome study was conducted using colony forming cells induced by hemopoietic stem cells of peripheral blood of proximal survivors. Same chromosome aberrations were observed in colony forming cells and peripheral T-cells in several atomic bomb survivors. (author)

  4. Permeability of two-dimensional graphene and hexagonal-boron nitride to hydrogen atom

    Science.gov (United States)

    Gupta, Varun; Kumar, Ankit; Ray, Nirat

    2018-05-01

    The permeability of atomic hydrogen in monolayer hexagonal Boron Nitride(h-BN) and graphene has been studied using first-principles density functional theory based simulations. For the specific cases of physisorption and chemisoroption, barrier heights are calculated using the nudged elastic band approach. We find that the barrier potential for physisorption through the ring is lower for graphene than h-BN. In the case of chemisorption, where the H atom passes through by making bonds with the atoms in the ring, the barrier potential for the graphene was found to be higher than that of h-BN. We conclude that the penetration of H atom with notable kinetic energy (graphene as compared to h-BN. Whereas through chemisorption, lower kinetic energy (>3eV) H-atoms have a higher chance to penetrate through h-BN than graphene.

  5. Ballistic Evaporation and Solvation of Helium Atoms at the Surfaces of Protic and Hydrocarbon Liquids.

    Science.gov (United States)

    Johnson, Alexis M; Lancaster, Diane K; Faust, Jennifer A; Hahn, Christine; Reznickova, Anna; Nathanson, Gilbert M

    2014-11-06

    Atomic and molecular solutes evaporate and dissolve by traversing an atomically thin boundary separating liquid and gas. Most solutes spend only short times in this interfacial region, making them difficult to observe. Experiments that monitor the velocities of evaporating species, however, can capture their final interactions with surface solvent molecules. We find that polarizable gases such as N2 and Ar evaporate from protic and hydrocarbon liquids with Maxwell-Boltzmann speed distributions. Surprisingly, the weakly interacting helium atom emerges from these liquids at high kinetic energies, exceeding the expected energy of evaporation from salty water by 70%. This super-Maxwellian evaporation implies in reverse that He atoms preferentially dissolve when they strike the surface at high energies, as if ballistically penetrating into the solvent. The evaporation energies increase with solvent surface tension, suggesting that He atoms require extra kinetic energy to navigate increasingly tortuous paths between surface molecules.

  6. Atomic phenomena in dense plasmas

    International Nuclear Information System (INIS)

    Weisheit, J.C.

    1981-03-01

    The following chapters are included: (1) the plasma environment, (2) perturbations of atomic structure, (3) perturbations of atomic collisions, (4) formation of spectral lines, and (5) dielectronic recombination

  7. Atomic hydrogen and argon ground state density determination in a recombining plasma using visible light absorption spectroscopy

    NARCIS (Netherlands)

    Otorbaev, D.K.; Buuron, A.J.M.; Sanden, van de M.C.M.; Meulenbroeks, R.F.G.; Schram, D.C.

    1995-01-01

    The atomic radical density in the first excited state, obtained by the technique of optical absorption spectroscopy, and a simple kinetic model are used to determine the radical ground state density in a recombining expanding plasma. The kinetic model used does not require knowledge of the shape of

  8. Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

    Science.gov (United States)

    Kharchenko, Vasili; Dalgarno, A.

    2005-01-01

    This report summarizes our research performed under NASA Grant NAG5-11857. The three-year grant have been supported by the Geospace Sciences SR&T program. We have investigated the energetic metastable oxygen and nitrogen atoms in the terrestrial stratosphere, mesosphere and thermosphere. Hot atoms in the atmosphere are produced by solar radiation, the solar wind and various ionic reactions. Nascent hot atoms arise in ground and excited electronic states, and their translational energies are larger by two - three orders of magnitude than the thermal energies of the ambient gas. The relaxation kinetics of hot atoms determines the rate of atmospheric heating, the intensities of aeronomic reactions, and the rate of atom escape from the planet. Modeling of the non-Maxwellian energy distributions of metastable oxygen and nitrogen atoms have been focused on the determination of their impact on the energetics and chemistry of the terrestrial atmosphere between 25 and 250 km . At this altitudes, we have calculated the energy distribution functions of metastable O and N atoms and computed non-equilibrium rates of important aeronomic reactions, such as destruction of the water molecules by O(1D) atoms and production of highly excited nitric oxide molecules. In the upper atmosphere, the metastable O(lD) and N(2D) play important role in formation of the upward atomic fluxes. We have computed the upward fluxes of the metastable and ground state oxygen atoms in the upper atmosphere above 250 km. The accurate distributions of the metastable atoms have been evaluated for the day and night-time conditions.

  9. Kinetics of tetrataenite disordering

    International Nuclear Information System (INIS)

    Dos Santos, E.; Gattacceca, J.; Rochette, P.; Fillion, G.; Scorzelli, R.B.

    2015-01-01

    Tetrataenite is a chemically ordered L1 0 -type Fe 50 Ni 50 alloy detected for the first time in 1977 by 57 Fe Mössbauer spectroscopy studies in iron meteorites. The thermal history of meteorites, in particular short thermal events like those associated to hypervelocity impacts, can be constrained by tracing the presence of tetrataenite or its disordering into taenite. The knowledge of the disordering kinetics of tetrataenite, that is associated with changes in its magnetic properties, is still very fragmentary so that the time–temperature history of these meteorites cannot be constrained in details. Furthermore, knowledge of disordering kinetics is important due to potential technological application of tetrataenite as a rare-earth free strong magnet. Thus, this work provides the first time–temperature data for disordering reaction of tetrataenite. We have shown that disordering is not an instantaneous process but is a kinetic limited reaction. It was shown that disordering may take place at any temperature above the order–disorder transition for L 10 superstructure phase (∼320 °C) when the appropriate time-scale is considered. This result means that the apparent Curie point for tetrataenite is not an absolute property in the sense that any estimate of this parameter should be referred to a given time-scale. - Highlights: • The first time–temperature data for tetrataenite disordering reaction is provided. • Previous works does not give a complete picture of tetrataenite disordering. • Apparent Curie temperature of tetrataenite should be referred to a time-scale. • Tetrataenite can be used as a probe to detect thermal/shock events recorded in meteorites

  10. Quantum kinetic Ising models

    International Nuclear Information System (INIS)

    Augusiak, R; Cucchietti, F M; Lewenstein, M; Haake, F

    2010-01-01

    In this paper, we introduce a quantum generalization of classical kinetic Ising models (KIM), described by a certain class of quantum many-body master equations. Similarly to KIMs with detailed balance that are equivalent to certain Hamiltonian systems, our models reduce to a set of Hamiltonian systems determining the dynamics of the elements of the many-body density matrix. The ground states of these Hamiltonians are well described by the matrix product, or pair entangled projected states. We discuss critical properties of such Hamiltonians, as well as entanglement properties of their low-energy states.

  11. Atomic size effect on critical cooling rate and glass formation

    International Nuclear Information System (INIS)

    Jalali, Payman; Li Mo

    2005-01-01

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

  12. Nuclear methods in chemical kinetics. Technical progress report, April 1, 1978--March 31, 1979

    International Nuclear Information System (INIS)

    1979-01-01

    Significant progress was achieved in the following products: (1) gas phase thermal F-to-HF reactions; (II) gas phase thermal 18 F olefinic addition reactions; (III) steady state hot atom kinetic theory; (IV) moderator effects on nuclear recoil 18 F substitution reactions; and (V) new experimental methodology. New work has been initiated upon the development of a realisitic potential form of kinetic collision theory

  13. Comparison of universal potentials for atomic collisions in solids

    International Nuclear Information System (INIS)

    Cupini, E.; Ventura, A.

    1984-01-01

    Elastic collisions in solid of ions having kinetic energy greater than about ten eV are fairly well described by the binary collision approximation, where screened coulomb potentials are often used. The aim of the present work is to compare calculations based on the Moliere potential and on the more realistic Biersack-Ziegler potential for atomic collisions in solids having an atomic number between Z=6 and Z=79 with experimental data. A reasonable agreement with data can be obtained, in general, by means of both potentials provided that the screening lenght is suitably modified in the Moliere case, while no parameter adjustment is needed in the Biersack-Ziegler potential

  14. The relativistic Scott correction for atoms and molecules

    DEFF Research Database (Denmark)

    Solovej, Jan Philip; Sørensen, Thomas Østergaard; Spitzer, Wolfgang L.

    2010-01-01

    We prove the first correction to the leading Thomas-Fermi energy for the ground state energy of atoms and molecules in a model where the kinetic energy of the electrons is treated relativistically. The leading Thomas-Fermi energy, established in [25], as well as the correction given here......, are of semiclassical nature. Our result on atoms and molecules is proved from a general semiclassical estimate for relativistic operators with potentials with Coulomb-like singularities. This semiclassical estimate is obtained using the coherent state calculus introduced in [36]. The paper contains a unified treatment...

  15. Gas lasers applied atomic collision physics, v.3

    CERN Document Server

    McDaniel, E W

    1982-01-01

    Applied Atomic Collision Physics, Volume 3: Gas Lasers describes the applications of atomic collision physics in the development of many types of gas lasers. Topics covered range from negative ion formation in gas lasers to high-pressure ion kinetics and relaxation of molecules exchanging vibrational energy. Ion-ion recombination in high-pressure plasmas is also discussed, along with electron-ion recombination in gas lasers and collision processes in chemical lasers.Comprised of 14 chapters, this volume begins with a historical summary of gas laser developments and an overview of the basic ope

  16. Fluorine atom subsurface diffusion and reaction in photoresist

    International Nuclear Information System (INIS)

    Greer, Frank; Fraser, D.; Coburn, J.W.; Graves, David B.

    2003-01-01

    Kinetic studies of fluorine and deuterium atoms interacting with an OiR 897 10i i-line photoresist (PR) are reported. All experiments were conducted at room temperature. Films of this PR were coated on quartz-crystal microbalance (QCM) substrates and exposed to alternating fluxes of these atoms in a high vacuum apparatus. Mass changes of the PR were observed in situ and in real time during the atom beam exposures using the QCM. A molecular-beam sampled differentially pumped quadrupole mass spectrometer (QMS) was used to measure the species desorbing from the PR surface during the F and D atom exposures. During the D atom exposures, hydrogen abstraction and etching of the PR was observed, but no DF formation was detected. However, during the F atom exposures, the major species observed to desorb from the surface was DF, formed from fluorine abstraction of deuterium from the photoresist. No evidence of film etching or fluorine self-abstraction was observed. The film mass increased during F atom exposure, evidently due to the replacement of D by F in the film. The rate of DF formation and mass uptake were both characterized by the same kinetics: An initially rapid step declining exponentially with time (e -t/τ ), followed by a much slower step following inverse square root of time (t -1/2 ) kinetics. The initially rapid step was interpreted as surface abstraction of D by F to form DF, which desorbs, with subsequent F impacting the surface inserted into surface C dangling bonds. The slower step was interpreted as F atoms diffusing into the fluorinated photoresist, forming DF at the boundary of the fluorinated carbon layer. The t -1/2 kinetics of this step are interpreted to indicate that F diffusion through the fluorinated carbon layer is much slower than the rate of F abstraction of D to form DF, or the rate of F insertion into the carbon dangling bonds left behind after DF formation. A diffusion-limited growth model was formulated, and the model parameters are

  17. Kinetics of coal pyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Seery, D.J.; Freihaut, J.D.; Proscia, W.M. (United Technologies Research Center, East Hartford, CT (USA)); Howard, J.B.; Peters, W.; Hsu, J.; Hajaligol, M.; Sarofim, A. (Massachusetts Inst. of Tech., Cambridge, MA (USA)); Jenkins, R.; Mallin, J.; Espindola-Merin, B. (Pennsylvania State Univ., University Park, PA (USA)); Essenhigh, R.; Misra, M.K. (Ohio State Univ., Columbus, OH (USA))

    1989-07-01

    This report contains results of a coordinated, multi-laboratory investigation of coal devolatilization. Data is reported pertaining to the devolatilization for bituminous coals over three orders of magnitude in apparent heating rate (100 to 100,000 + {degree}C/sec), over two orders of magnitude in particle size (20 to 700 microns), final particle temperatures from 400 to 1600{degree}C, heat transfer modes ranging from convection to radiative, ambient pressure ranging from near vacuum to one atmosphere pressure. The heat transfer characteristics of the reactors are reported in detail. It is assumed the experimental results are to form the basis of a devolatilization data base. Empirical rate expressions are developed for each phase of devolatilization which, when coupled to an awareness of the heat transfer rate potential of a particular devolatilization reactor, indicate the kinetics emphasized by a particular system reactor plus coal sample. The analysis indicates the particular phase of devolatilization that will be emphasized by a particular reactor type and, thereby, the kinetic expressions appropriate to that devolatilization system. Engineering rate expressions are developed from the empirical rate expressions in the context of a fundamental understanding of coal devolatilization developed in the course of the investigation. 164 refs., 223 figs., 44 tabs.

  18. Repair kinetics in tissues

    International Nuclear Information System (INIS)

    Thames, H.D.

    1989-01-01

    Monoexponential repair kinetics is based on the assumption of a single, dose-independent rate of repair of sublethal injury in the target cells for tissue injury after exposure to ionizing radiation. Descriptions of the available data based on this assumption have proved fairly successful for both acutely responding (skin, lip mucosa, gut) and late-responding (lung, spinal cord) normal tissues. There are indications of biphasic exponential repair in both categories, however. Unfortunately, the data usually lack sufficient resolution to permit unambiguous determination of the repair rates. There are also indications that repair kinetics may depend on the size of the dose. The data are conflicting on this account, however, with suggestions of both faster and slower repair after larger doses. Indeed, experiments that have been explicitly designed to test this hypothesis show either no effect (gut, spinal cord), faster repair after higher doses (lung, kidney), or slower repair after higher doses (skin). Monoexponential repair appears to be a fairly accurate description that provides an approximation to a more complicated picture, the elucidation of whose details will, however, require very careful and extensive experimental study. (author). 30 refs.; 1 fig

  19. Diffusion Influenced Adsorption Kinetics.

    Science.gov (United States)

    Miura, Toshiaki; Seki, Kazuhiko

    2015-08-27

    When the kinetics of adsorption is influenced by the diffusive flow of solutes, the solute concentration at the surface is influenced by the surface coverage of solutes, which is given by the Langmuir-Hinshelwood adsorption equation. The diffusion equation with the boundary condition given by the Langmuir-Hinshelwood adsorption equation leads to the nonlinear integro-differential equation for the surface coverage. In this paper, we solved the nonlinear integro-differential equation using the Grünwald-Letnikov formula developed to solve fractional kinetics. Guided by the numerical results, analytical expressions for the upper and lower bounds of the exact numerical results were obtained. The upper and lower bounds were close to the exact numerical results in the diffusion- and reaction-controlled limits, respectively. We examined the validity of the two simple analytical expressions obtained in the diffusion-controlled limit. The results were generalized to include the effect of dispersive diffusion. We also investigated the effect of molecular rearrangement of anisotropic molecules on surface coverage.

  20. Formation and structural phase transition in Co atomic chains on a Cu(775) surface

    International Nuclear Information System (INIS)

    Syromyatnikov, A. G.; Kabanov, N. S.; Saletsky, A. M.; Klavsyuk, A. L.

    2017-01-01

    The formation of Co atomic chains on a Cu(775) surface is investigated by the kinetic Monte Carlo method. It is found that the length of Co atomic chains formed as a result of self-organization during epitaxial growth is a random quantity and its mean value depends on the parameters of the experiment. The existence of two structural phases in atomic chains is detected using the density functional theory. In the first phase, the separations between an atom and its two nearest neighbors in a chain are 0.230 and 0.280 nm. In the second phase, an atomic chain has identical atomic spacings of 0.255 nm. It is shown that the temperature of the structural phase transition depends on the length of the atomic chain.