WorldWideScience

Sample records for atomic level computational

  1. Atomic-level computer simulation

    International Nuclear Information System (INIS)

    Adams, J.B.; Rockett, Angus; Kieffer, John; Xu Wei; Nomura, Miki; Kilian, K.A.; Richards, D.F.; Ramprasad, R.

    1994-01-01

    This paper provides a broad overview of the methods of atomic-level computer simulation. It discusses methods of modelling atomic bonding, and computer simulation methods such as energy minimization, molecular dynamics, Monte Carlo, and lattice Monte Carlo. ((orig.))

  2. Computational techniques in tribology and material science at the atomic level

    Science.gov (United States)

    Ferrante, J.; Bozzolo, G. H.

    1992-01-01

    Computations in tribology and material science at the atomic level present considerable difficulties. Computational techniques ranging from first-principles to semi-empirical and their limitations are discussed. Example calculations of metallic surface energies using semi-empirical techniques are presented. Finally, application of the methods to calculation of adhesion and friction are presented.

  3. Computational atomic and nuclear physics

    International Nuclear Information System (INIS)

    Bottcher, C.; Strayer, M.R.; McGrory, J.B.

    1990-01-01

    The evolution of parallel processor supercomputers in recent years provides opportunities to investigate in detail many complex problems, in many branches of physics, which were considered to be intractable only a few years ago. But to take advantage of these new machines, one must have a better understanding of how the computers organize their work than was necessary with previous single processor machines. Equally important, the scientist must have this understanding as well as a good understanding of the structure of the physics problem under study. In brief, a new field of computational physics is evolving, which will be led by investigators who are highly literate both computationally and physically. A Center for Computationally Intensive Problems has been established with the collaboration of the University of Tennessee Science Alliance, Vanderbilt University, and the Oak Ridge National Laboratory. The objective of this Center is to carry out forefront research in computationally intensive areas of atomic, nuclear, particle, and condensed matter physics. An important part of this effort is the appropriate training of students. An early effort of this Center was to conduct a Summer School of Computational Atomic and Nuclear Physics. A distinguished faculty of scientists in atomic, nuclear, and particle physics gave lectures on the status of present understanding of a number of topics at the leading edge in these fields, and emphasized those areas where computational physics was in a position to make a major contribution. In addition, there were lectures on numerical techniques which are particularly appropriate for implementation on parallel processor computers and which are of wide applicability in many branches of science

  4. Atomic Force Microscopy and Real Atomic Resolution. Simple Computer Simulations

    NARCIS (Netherlands)

    Koutsos, V.; Manias, E.; Brinke, G. ten; Hadziioannou, G.

    1994-01-01

    Using a simple computer simulation for AFM imaging in the contact mode, pictures with true and false atomic resolution are demonstrated. The surface probed consists of two f.c.c. (111) planes and an atomic vacancy is introduced in the upper layer. Changing the size of the effective tip and its

  5. Effects of clinically relevant MPL mutations in the transmembrane domain revealed at the atomic level through computational modeling.

    Science.gov (United States)

    Lee, Tai-Sung; Kantarjian, Hagop; Ma, Wanlong; Yeh, Chen-Hsiung; Giles, Francis; Albitar, Maher

    2011-01-01

    Mutations in the thrombopoietin receptor (MPL) may activate relevant pathways and lead to chronic myeloproliferative neoplasms (MPNs). The mechanisms of MPL activation remain elusive because of a lack of experimental structures. Modern computational biology techniques were utilized to explore the mechanisms of MPL protein activation due to various mutations. Transmembrane (TM) domain predictions, homology modeling, ab initio protein structure prediction, and molecular dynamics (MD) simulations were used to build structural dynamic models of wild-type and four clinically observed mutants of MPL. The simulation results suggest that S505 and W515 are important in keeping the TM domain in its correct position within the membrane. Mutations at either of these two positions cause movement of the TM domain, altering the conformation of the nearby intracellular domain in unexpected ways, and may cause the unwanted constitutive activation of MPL's kinase partner, JAK2. Our findings represent the first full-scale molecular dynamics simulations of the wild-type and clinically observed mutants of the MPL protein, a critical element of the MPL-JAK2-STAT signaling pathway. In contrast to usual explanations for the activation mechanism that are based on the relative translational movement between rigid domains of MPL, our results suggest that mutations within the TM region could result in conformational changes including tilt and rotation (azimuthal) angles along the membrane axis. Such changes may significantly alter the conformation of the adjacent and intrinsically flexible intracellular domain. Hence, caution should be exercised when interpreting experimental evidence based on rigid models of cytokine receptors or similar systems.

  6. Natural and artificial atoms for quantum computation

    Energy Technology Data Exchange (ETDEWEB)

    Buluta, Iulia; Ashhab, Sahel; Nori, Franco, E-mail: fnori@riken.jp [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan)

    2011-10-15

    Remarkable progress towards realizing quantum computation has been achieved using natural and artificial atoms as qubits. This paper presents a brief overview of the current status of different types of qubits. On the one hand, natural atoms (such as neutral atoms and ions) have long coherence times, and could be stored in large arrays, providing ideal 'quantum memories'. On the other hand, artificial atoms (such as superconducting circuits or semiconductor quantum dots) have the advantage of custom-designed features and could be used as 'quantum processing units'. Natural and artificial atoms can be coupled with each other and can also be interfaced with photons for long-distance communications. Hybrid devices made of natural/artificial atoms and photons may provide the next-generation design for quantum computers.

  7. Energy levels of muonic atoms

    International Nuclear Information System (INIS)

    Borie, E.; Rinker, G.A.

    1982-01-01

    The theory of muonic atoms is a complex and highly developed combination of nuclear physics, atomic physics, and quantum electrodynamics. Perhaps nowhere else in microscopic physics are such diverse branches so intimately intertwined and yet readily available for precise experimental verification or rejection. In the present review we summarize and discuss all of the most important components of muonic atom theory, and show in selected cases how this theory meets experimental measurements

  8. ASAS: Computational code for Analysis and Simulation of Atomic Spectra

    Directory of Open Access Journals (Sweden)

    Jhonatha R. dos Santos

    2017-01-01

    Full Text Available The laser isotopic separation process is based on the selective photoionization principle and, because of this, it is necessary to know the absorption spectrum of the desired atom. Computational resource has become indispensable for the planning of experiments and analysis of the acquired data. The ASAS (Analysis and Simulation of Atomic Spectra software presented here is a helpful tool to be used in studies involving atomic spectroscopy. The input for the simulations is friendly and essentially needs a database containing the energy levels and spectral lines of the atoms subjected to be studied.

  9. Theoretical Atomic Physics code development IV: LINES, A code for computing atomic line spectra

    International Nuclear Information System (INIS)

    Abdallah, J. Jr.; Clark, R.E.H.

    1988-12-01

    A new computer program, LINES, has been developed for simulating atomic line emission and absorption spectra using the accurate fine structure energy levels and transition strengths calculated by the (CATS) Cowan Atomic Structure code. Population distributions for the ion stages are obtained in LINES by using the Local Thermodynamic Equilibrium (LTE) model. LINES is also useful for displaying the pertinent atomic data generated by CATS. This report describes the use of LINES. Both CATS and LINES are part of the Theoretical Atomic PhysicS (TAPS) code development effort at Los Alamos. 11 refs., 9 figs., 1 tab

  10. Energetics and dynamics of atomic uranium levels

    International Nuclear Information System (INIS)

    Miron, E.

    1978-01-01

    New methods for discovering and identifying new electronic levels of atomic uranium and measuring parameters, such as radiative lifetimes and absorption cross-sections, are described. The uranium atoms are produced within an especially designed induction-heated oven. The uranium vapor is irradiated by nitrogen laser pumped, pulsed dye lasers. The various measurements are accomplished by detection of laser induced fluorescence from selectively excited levels. 138 atomic-uranium odd levels in the region 32260-34900 cm -1 and 16 even levels in the region 49500-49900 cm -1 are reported. Unique J values are presented for 64 levels and partial assignment (two possibilities) for 42 levels. Radiative lifetimes are presented for 134 levels. Absorption cross sections were measured for 12 transitions. Isotope shifts of 17 levels are given. Cross-sections for internal excitation transfer in uranium which are induced by collisions with argon atoms, are presented for 11 levels. (author)

  11. The role of Rydberg and continuum levels in computing high harmonic generation spectra of the hydrogen atom using time-dependent configuration interaction

    International Nuclear Information System (INIS)

    Luppi, Eleonora; Head-Gordon, Martin

    2013-01-01

    We study the role of Rydberg bound-states and continuum levels in the field-induced electronic dynamics associated with the High-Harmonic Generation (HHG) spectroscopy of the hydrogen atom. Time-dependent configuration-interaction (TD-CI) is used with very large atomic orbital (AO) expansions (up to L= 4 with sextuple augmentation and off-center functions) to describe the bound Rydberg levels, and some continuum levels. To address the lack of ionization losses in TD-CI with finite AO basis sets, we employed a heuristic lifetime for energy levels above the ionization potential. The heuristic lifetime model is compared against the conventional atomic orbital treatment (infinite lifetimes), and a third approximation which is TD-CI using only the bound levels (continuum lifetimes go to zero). The results suggest that spectra calculated using conventional TD-CI do not converge with increasing AO basis set size, while the zero lifetime and heuristic lifetime models converge to qualitatively similar spectra, with implications for how best to apply bound state electronic structure methods to simulate HHG. The origin of HHG spectral features including the cutoff and extent of interference between peaks is uncovered by separating field-induced coupling between different types of levels (ground state, bound Rydberg levels, and continuum) in the simulated electronic dynamics. Thus the origin of deviations between the predictions of the semi-classical three step model and the full simulation can be associated with particular physical contributions, which helps to explain both the successes and the limitations of the three step model

  12. Atomic energy levels and Grotrian diagrams

    CERN Document Server

    Bashkin, Stanley

    1975-01-01

    Atomic Energy Levels and Grotrian Diagrams, Volume I: Hydrogen I - Phosphorus XV presents diagrams of various elements that show their energy level and electronic transitions. The book covers the first 15 elements according to their atomic number. The text will be of great use to researchers and practitioners of fields such as astrophysics that requires pictorial representation of the energy levels and electronic transitions of elements.

  13. Effects of atomic-level nano-structured hydroxyapatite on adsorption of bone morphogenetic protein-7 and its derived peptide by computer simulation.

    Science.gov (United States)

    Wang, Qun; Wang, Menghao; Lu, Xiong; Wang, Kefeng; Fang, Liming; Ren, Fuzeng; Lu, Guoming

    2017-11-09

    Hydroxyapatite (HA) is the principal inorganic component of bones and teeth and has been widely used as a bone repair material because of its good biocompatibility and bioactivity. Understanding the interactions between proteins and HA is crucial for designing biomaterials for bone regeneration. In this study, we evaluated the effects of atomic-level nano-structured HA (110) surfaces on the adsorption of bone morphogenetic protein-7 (BMP-7) and its derived peptide (KQLNALSVLYFDD) using molecular dynamics and density functional theory methods. The results indicated that the atomic-level morphology of HA significantly affected the interaction strength between proteins and HA substrates. The interactions of BMP-7 and its derived peptide with nano-concave and nano-pillar HA surfaces were stronger than those with flat or nano-groove HA surfaces. The results also revealed that if the groove size of nano-structured HA surfaces matched that of residues in the protein or peptide, these residues were likely to spread into the grooves of the nano-groove, nano-concave, and nano-pillar HA, further strengthening the interactions. These results are helpful in better understanding the adsorption behaviors of proteins onto nano-structured HA surfaces, and provide theoretical guidance for designing novel bioceramic materials for bone regeneration and tissue engineering.

  14. Quantum chaos of the 2-level atom

    Energy Technology Data Exchange (ETDEWEB)

    Graham, R; Hoehnerbach, M [Essen Univ. (Germany, F.R.). Fachbereich Physik

    1984-01-01

    Recent work on the two-level atom coupled to a single mode of the electromagnetic field is reviewed from the point of view of 'quantum chaos', defined as the quantum behavior of a dynamical system which is non-integrable in the classical limit. Spectral properties and the dynamics of occupation probabilities including their revivals are obtained without making the rotating wave approximation.

  15. Atomic level characterization in corrosion studies

    Science.gov (United States)

    Marcus, Philippe; Maurice, Vincent

    2017-06-01

    Atomic level characterization brings fundamental insight into the mechanisms of self-protection against corrosion of metals and alloys by oxide passive films and into how localized corrosion is initiated on passivated metal surfaces. This is illustrated in this overview with selected data obtained at the subnanometre, i.e. atomic or molecular, scale and also at the nanometre scale on single-crystal copper, nickel, chromium and stainless steel surfaces passivated in well-controlled conditions and analysed in situ and/or ex situ by scanning tunnelling microscopy/spectroscopy and atomic force microscopy. A selected example of corrosion modelling by ab initio density functional theory is also presented. The discussed aspects include the surface reconstruction induced by hydroxide adsorption and formation of two-dimensional (hydr)oxide precursors, the atomic structure, orientation and surface hydroxylation of three-dimensional ultrathin oxide passive films, the effect of grain boundaries in polycrystalline passive films acting as preferential sites of passivity breakdown, the differences in local electronic properties measured at grain boundaries of passive films and the role of step edges at the exposed surface of oxide grains on the dissolution of the passive film. This article is part of the themed issue 'The challenges of hydrogen and metals'.

  16. Fundamentals of tribology at the atomic level

    Science.gov (United States)

    Ferrante, John; Pepper, Stephen V.

    1989-01-01

    Tribology, the science and engineering of solid surfaces in moving contact, is a field that encompasses many disciplines: solid state physics, chemistry, materials science, and mechanical engineering. In spite of the practical importance and maturity of the field, the fundamental understanding of basic phenomena has only recently been attacked. An attempt to define some of these problems and indicate some profitable directions for future research is presented. There are three broad classifications: (1) fluid properties (compression, rheology, additives and particulates); (2) material properties of the solids (deformation, defect formation and energy loss mechanisms); and (3) interfacial properties (adhesion, friction chemical reactions, and boundary films). Research in the categories has traditionally been approached by considering macroscopic material properties. Recent activity has shown that some issues can be approached at the atomic level: the atoms in the materials can be manipulated both experimentally and theoretically, and can produce results related to macroscopic phenomena.

  17. Accurate atom-mapping computation for biochemical reactions.

    Science.gov (United States)

    Latendresse, Mario; Malerich, Jeremiah P; Travers, Mike; Karp, Peter D

    2012-11-26

    The complete atom mapping of a chemical reaction is a bijection of the reactant atoms to the product atoms that specifies the terminus of each reactant atom. Atom mapping of biochemical reactions is useful for many applications of systems biology, in particular for metabolic engineering where synthesizing new biochemical pathways has to take into account for the number of carbon atoms from a source compound that are conserved in the synthesis of a target compound. Rapid, accurate computation of the atom mapping(s) of a biochemical reaction remains elusive despite significant work on this topic. In particular, past researchers did not validate the accuracy of mapping algorithms. We introduce a new method for computing atom mappings called the minimum weighted edit-distance (MWED) metric. The metric is based on bond propensity to react and computes biochemically valid atom mappings for a large percentage of biochemical reactions. MWED models can be formulated efficiently as Mixed-Integer Linear Programs (MILPs). We have demonstrated this approach on 7501 reactions of the MetaCyc database for which 87% of the models could be solved in less than 10 s. For 2.1% of the reactions, we found multiple optimal atom mappings. We show that the error rate is 0.9% (22 reactions) by comparing these atom mappings to 2446 atom mappings of the manually curated Kyoto Encyclopedia of Genes and Genomes (KEGG) RPAIR database. To our knowledge, our computational atom-mapping approach is the most accurate and among the fastest published to date. The atom-mapping data will be available in the MetaCyc database later in 2012; the atom-mapping software will be available within the Pathway Tools software later in 2012.

  18. Atomic four-level N systems

    International Nuclear Information System (INIS)

    Goren, C.; Rosenbluh, M.; Wilson-Gordon, A.D.; Friedmann, H.

    2004-01-01

    We investigate the atomic four-level N configuration both analytically and numerically, for various pump and probe intensities, with and without transfer of coherence (TOC) and Doppler broadening, and compare the results obtained to those of realistic atomic systems. We find that TOC affects the whole spectrum, in addition to producing an electromagnetically induced absorption (EIA) peak at line center. We show that the EIA peak splits as the pump intensity increases. These results are compared with those of realistic systems. When the pump is σ + polarized and the probe is π polarized, the results are similar to those of the N configuration. When the pump and probe polarizations are both linear with perpendicular polarizations, various N-like subsystems contribute to the spectrum. Consequently, the splitting of the EIA peak only occurs at very high pump intensities. We also discuss the influence of the probe on the pump absorption and refraction and find that both the pump and probe show EIA peaks when the pump intensity is low, and complementary behavior when the pump is intense. At both low and high pump intensity, the pump and probe dispersions are of opposite sign

  19. Two-dimensional atom localization via probe absorption in a four-level atomic system

    International Nuclear Information System (INIS)

    Wang Zhi-Ping; Ge Qiang; Ruan Yu-Hua; Yu Ben-Li

    2013-01-01

    We have investigated the two-dimensional (2D) atom localization via probe absorption in a coherently driven four-level atomic system by means of a radio-frequency field driving a hyperfine transition. It is found that the detecting probability and precision of 2D atom localization can be significantly improved via adjusting the system parameters. As a result, our scheme may be helpful in laser cooling or the atom nano-lithography via atom localization

  20. Cloud Quantum Computing of an Atomic Nucleus

    Science.gov (United States)

    Dumitrescu, E. F.; McCaskey, A. J.; Hagen, G.; Jansen, G. R.; Morris, T. D.; Papenbrock, T.; Pooser, R. C.; Dean, D. J.; Lougovski, P.

    2018-05-01

    We report a quantum simulation of the deuteron binding energy on quantum processors accessed via cloud servers. We use a Hamiltonian from pionless effective field theory at leading order. We design a low-depth version of the unitary coupled-cluster ansatz, use the variational quantum eigensolver algorithm, and compute the binding energy to within a few percent. Our work is the first step towards scalable nuclear structure computations on a quantum processor via the cloud, and it sheds light on how to map scientific computing applications onto nascent quantum devices.

  1. Quantum Computation by Optically Coupled Steady Atoms/Quantum-Dots Inside a Quantum Cavity

    Science.gov (United States)

    Pradhan, P.; Wang, K. L.; Roychowdhury, V. P.; Anantram, M. P.; Mor, T.; Saini, Subhash (Technical Monitor)

    1999-01-01

    We present a model for quantum computation using $n$ steady 3-level atoms kept inside a quantum cavity, or using $n$ quantum-dots (QDs) kept inside a quantum cavity. In this model one external laser is pointed towards all the atoms/QDs, and $n$ pairs of electrodes are addressing the atoms/QDs, so that each atom is addressed by one pair. The energy levels of each atom/QD are controlled by an external Stark field given to the atom/QD by its external pair of electrodes. Transition between two energy levels of an individual atom/ QD are controlled by the voltage on its electrodes, and by the external laser. Interactions between two atoms/ QDs are performed with the additional help of the cavity mode (using on-resonance condition). Laser frequency, cavity frequency, and energy levels are far off-resonance most of the time, and they are brought to the resonance (using the Stark effect) only at the time of operations. Steps for a controlled-NOT gate between any two atoms/QDs have been described for this model. Our model demands some challenging technological efforts, such as manufacturing single-electron QDs inside a cavity. However, it promises big advantages over other existing models which are currently implemented, and might enable a much easier scale-up, to compute with many more qubits.

  2. Supercomputers and the future of computational atomic scattering physics

    International Nuclear Information System (INIS)

    Younger, S.M.

    1989-01-01

    The advent of the supercomputer has opened new vistas for the computational atomic physicist. Problems of hitherto unparalleled complexity are now being examined using these new machines, and important connections with other fields of physics are being established. This talk briefly reviews some of the most important trends in computational scattering physics and suggests some exciting possibilities for the future. 7 refs., 2 figs

  3. Higher order corrections to energy levels of muonic atoms

    International Nuclear Information System (INIS)

    Rinker, G.A. Jr.; Steffen, R.M.

    1975-08-01

    In order to facilitate the analysis of muonic x-ray spectra, the results of numerical computations of all higher order quantum electrodynamical corrections to the energy levels of muonic atoms are presented in tabular and graphical form. These corrections include the vacuum polarization corrections caused by emission and reabsorption of virtual electron pairs to all orders, including ''double-bubble'' and ''cracked-egg'' diagrams. An estimate of the Delbruecke scattering-type correction is presented. The Lamb-shift (second- and fourth-order vertex) corrections have been calculated including the correction for the anomalous magnetic moment of the muon. The relativistic nuclear motion (or recoil) correction as well as the correction caused by the screening of the atomic electrons is presented in graphs. For the sake of completeness a graph of the nuclear polarization as computed on the basis of Chen's approach has been included. All calculations were made with a two-parameter Fermi distribution of the nuclear charge density. 7 figures, 23 references

  4. Three-dimensional atom localization via electromagnetically induced transparency in a three-level atomic system.

    Science.gov (United States)

    Wang, Zhiping; Cao, Dewei; Yu, Benli

    2016-05-01

    We present a new scheme for three-dimensional (3D) atom localization in a three-level atomic system via measuring the absorption of a weak probe field. Owing to the space-dependent atom-field interaction, the position probability distribution of the atom can be directly determined by measuring the probe absorption. It is found that, by properly varying the parameters of the system, the probability of finding the atom in 3D space can be almost 100%. Our scheme opens a promising way to achieve high-precision and high-efficiency 3D atom localization, which provides some potential applications in laser cooling or atom nano-lithography via atom localization.

  5. Atomic switch: atom/ion movement controlled devices for beyond von-neumann computers.

    Science.gov (United States)

    Hasegawa, Tsuyoshi; Terabe, Kazuya; Tsuruoka, Tohru; Aono, Masakazu

    2012-01-10

    An atomic switch is a nanoionic device that controls the diffusion of metal ions/atoms and their reduction/oxidation processes in the switching operation to form/annihilate a conductive path. Since metal atoms can provide a highly conductive channel even if their cluster size is in the nanometer scale, atomic switches may enable downscaling to smaller than the 11 nm technology node, which is a great challenge for semiconductor devices. Atomic switches also possess novel characteristics, such as high on/off ratios, very low power consumption and non-volatility. The unique operating mechanisms of these devices have enabled the development of various types of atomic switch, such as gap-type and gapless-type two-terminal atomic switches and three-terminal atomic switches. Novel functions, such as selective volatile/nonvolatile, synaptic, memristive, and photo-assisted operations have been demonstrated. Such atomic switch characteristics can not only improve the performance of present-day electronic systems, but also enable development of new types of electronic systems, such as beyond von- Neumann computers. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Polarization-dependent atomic dipole traps behind a circular aperture for neutral-atom quantum computing

    International Nuclear Information System (INIS)

    Gillen-Christandl, Katharina; Copsey, Bert D.

    2011-01-01

    The neutral-atom quantum computing community has successfully implemented almost all necessary steps for constructing a neutral-atom quantum computer. We present computational results of a study aimed at solving the remaining problem of creating a quantum memory with individually addressable sites for quantum computing. The basis of this quantum memory is the diffraction pattern formed by laser light incident on a circular aperture. Very close to the aperture, the diffraction pattern has localized bright and dark spots that can serve as red-detuned or blue-detuned atomic dipole traps. These traps are suitable for quantum computing even for moderate laser powers. In particular, for moderate laser intensities (∼100 W/cm 2 ) and comparatively small detunings (∼1000-10 000 linewidths), trap depths of ∼1 mK and trap frequencies of several to tens of kilohertz are achieved. Our results indicate that these dipole traps can be moved by tilting the incident laser beams without significantly changing the trap properties. We also explored the polarization dependence of these dipole traps. We developed a code that calculates the trapping potential energy for any magnetic substate of any hyperfine ground state of any alkali-metal atom for any laser detuning much smaller than the fine-structure splitting for any given electric field distribution. We describe details of our calculations and include a summary of different notations and conventions for the reduced matrix element and how to convert it to SI units. We applied this code to these traps and found a method for bringing two traps together and apart controllably without expelling the atoms from the trap and without significant tunneling probability between the traps. This approach can be scaled up to a two-dimensional array of many pinholes, forming a quantum memory with single-site addressability, in which pairs of atoms can be brought together and apart for two-qubit gates for quantum computing.

  7. Atom localization via controlled spontaneous emission in a five-level atomic system

    International Nuclear Information System (INIS)

    Wang Zhiping; Yu Benli; Zhu Jun; Cao Zhigang; Zhen Shenglai; Wu Xuqiang; Xu Feng

    2012-01-01

    We investigate the one- and two-dimensional atom localization behaviors via spontaneous emission in a coherently driven five-level atomic system by means of a radio-frequency field driving a hyperfine transition. It is found that the detecting probability and precision of atom localization behaviors can be significantly improved via adjusting the system parameters. More importantly, the two-dimensional atom localization patterns reveal that the maximal probability of finding an atom within the sub-wavelength domain of the standing waves can reach unity when the corresponding conditions are satisfied. As a result, our scheme may be helpful in laser cooling or the atom nano-lithography via atom localization. - Highlights: ► One- and two-dimensional atom localization behaviors via spontaneous emission in five-level atoms are investigated. ► An assisting radio-frequency field is used to control the atom localization behaviors. ► High-precision and high-resolution two-dimensional atom localization can be realized in this scheme.

  8. Computational code in atomic and nuclear quantum optics: Advanced computing multiphoton resonance parameters for atoms in a strong laser field

    Science.gov (United States)

    Glushkov, A. V.; Gurskaya, M. Yu; Ignatenko, A. V.; Smirnov, A. V.; Serga, I. N.; Svinarenko, A. A.; Ternovsky, E. V.

    2017-10-01

    The consistent relativistic energy approach to the finite Fermi-systems (atoms and nuclei) in a strong realistic laser field is presented and applied to computing the multiphoton resonances parameters in some atoms and nuclei. The approach is based on the Gell-Mann and Low S-matrix formalism, multiphoton resonance lines moments technique and advanced Ivanov-Ivanova algorithm of calculating the Green’s function of the Dirac equation. The data for multiphoton resonance width and shift for the Cs atom and the 57Fe nucleus in dependence upon the laser intensity are listed.

  9. Preparation of Ultracold Atom Clouds at the Shot Noise Level

    DEFF Research Database (Denmark)

    Gajdacz, M.; Hilliard, A. J.; Kristensen, Mick

    2016-01-01

    We prepare number stabilized ultracold atom clouds through the real-time analysis of nondestructive images and the application of feedback. In our experiments, the atom number N∼10^6 is determined by high precision Faraday imaging with uncertainty ΔN below the shot noise level, i.e., ΔN... on this measurement, feedback is applied to reduce the atom number to a user-defined target, whereupon a second imaging series probes the number stabilized cloud. By this method, we show that the atom number in ultracold clouds can be prepared below the shot noise level....

  10. Quantum computing with trapped ions, atoms and light

    International Nuclear Information System (INIS)

    Steane, Andrew M.

    2001-01-01

    We consider experimental issues relevant to quantum computing, and discuss the best way to achieve the essential requirements of reliable quantum memory and gate operations. Nuclear spins in trapped ions or atoms are a very promising candidate for the qubits. We estimate the parameters required to couple atoms using light via cavity QED in order to achieve quantum gates. We briefly comment on recent improvements to the Cirac-Zoller method for coupling trapped ions via their vibrational degree of freedom. Error processes result in a trade-off between quantum gate speed and failure probability. A useful quantum computer does appear to be feasible using a combination of ion trap and optical methods. The best understood method to stabilize a large computer relies on quantum error correction. The essential ideas of this are discussed, and recent estimates of the noise requirements in a quantum computing device are given

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  12. Three-dimensional atom localization via probe absorption in a cascade four-level atomic system

    Directory of Open Access Journals (Sweden)

    Zeng Wei

    2018-03-01

    Full Text Available For an atomic system with cascade four-level type, a useful scheme about three-dimensional (3D atom localization is proposed. In our scheme the atomic system is coherently controlled by using a radio-frequency field to couple with two-folded levels under the condition of the existence of probe absorption. Our results show that detecting precision of 3D atom localization may be obviously improved by properly adjusting the frequency detuning and strength of the radio-frequency driving field. So our scheme could be helpful to realize 3D atom localization with high-efficiency and high-precision . In the field of laser cooling or the atom nano-lithography, our studies provide potential applications.

  13. Three-dimensional atom localization via probe absorption in a cascade four-level atomic system

    Science.gov (United States)

    Zeng, Wei; Deng, Li; Chen, Aixi

    2018-03-01

    For an atomic system with cascade four-level type, a useful scheme about three-dimensional (3D) atom localization is proposed. In our scheme the atomic system is coherently controlled by using a radio-frequency field to couple with two-folded levels under the condition of the existence of probe absorption. Our results show that detecting precision of 3D atom localization may be obviously improved by properly adjusting the frequency detuning and strength of the radio-frequency driving field. So our scheme could be helpful to realize 3D atom localization with high-efficiency and high-precision . In the field of laser cooling or the atom nano-lithography, our studies provide potential applications.

  14. DFT computations of the lattice constant, stable atomic structure and ...

    African Journals Online (AJOL)

    This paper presents the most stable atomic structure and lattice constant of Fullerenes (C60). FHI-aims DFT code was used to predict the stable structure and the computational lattice constant of C60. These were compared with known experimental structures and lattice constants of C60. The results obtained showed that ...

  15. Harwell's atomic, molecular and solid state computer programs

    International Nuclear Information System (INIS)

    Harker, A.H.

    1976-02-01

    This document is intended to introduce the computational facilities available in the fields of atomic, molecular the solid state theory on the IBM370/165 at Harwell. The programs have all been implemented and thoroughly tested by the Theory of Solid State Materials Group. (author)

  16. Atomic level microstructural characterization by APFIM

    International Nuclear Information System (INIS)

    Miller, M.K.

    1996-01-01

    Atom probe field ion microscopy has been used to characterize Ni aluminides in addition to changes in microstructure of pressure vessel steels as a result of exposure to neutron irradiation. Ultrafine intragranular Cu precipitates and P segregation to grain and lath boundaries have been quantified in the pressure vessel steels. In boron-doped Ni 3 Al, the B additions were found to segregate to dislocations, low angle boundaries, antiphase boundaries, stacking faults, and grain boundaries. In boron-doped NiAl, B segregation to grain boundaries and ultrafine MB 2 precipitates were observed. In Mo-doped NiAl, enrichments of Mo, C, N/Si, B, and Fe were observed at the grain boundaries together with Mo precipitates and low Mo matrix solubility

  17. Experimental level densities of atomic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Guttormsen, M.; Bello Garrote, F.L.; Eriksen, T.K.; Giacoppo, F.; Goergen, A.; Hagen, T.W.; Klintefjord, M.; Larsen, A.C.; Nyhus, H.T.; Renstroem, T.; Rose, S.J.; Sahin, E.; Siem, S.; Tornyi, T.G.; Tveten, G.M. [University of Oslo, Department of Physics, Oslo (Norway); Aiche, M.; Ducasse, Q.; Jurado, B. [University of Bordeaux, CENBG, CNRS/IN2P3, B.P. 120, Gradignan (France); Bernstein, L.A.; Bleuel, D.L. [Lawrence Livermore National Laboratory, Livermore, CA (United States); Byun, Y.; Voinov, A. [Ohio University, Department of Physics and Astronomy, Athens, Ohio (United States); Gunsing, F. [CEA Saclay, DSM/Irfu/SPhN, Cedex (France); Lebois, L.; Leniau, B.; Wilson, J. [Institut de Physique Nucleaire d' Orsay, Orsay Cedex (France); Wiedeking, M. [iThemba LABS, P.O. Box 722, Somerset West (South Africa)

    2015-12-15

    It is almost 80 years since Hans Bethe described the level density as a non-interacting gas of protons and neutrons. In all these years, experimental data were interpreted within this picture of a fermionic gas. However, the renewed interest of measuring level density using various techniques calls for a revision of this description. In particular, the wealth of nuclear level densities measured with the Oslo method favors the constant-temperature level density over the Fermi-gas picture. From the basis of experimental data, we demonstrate that nuclei exhibit a constant-temperature level density behavior for all mass regions and at least up to the neutron threshold. (orig.)

  18. Towards deterministic optical quantum computation with coherently driven atomic ensembles

    International Nuclear Information System (INIS)

    Petrosyan, David

    2005-01-01

    Scalable and efficient quantum computation with photonic qubits requires (i) deterministic sources of single photons, (ii) giant nonlinearities capable of entangling pairs of photons, and (iii) reliable single-photon detectors. In addition, an optical quantum computer would need a robust reversible photon storage device. Here we discuss several related techniques, based on the coherent manipulation of atomic ensembles in the regime of electromagnetically induced transparency, that are capable of implementing all of the above prerequisites for deterministic optical quantum computation with single photons

  19. An analytical method for computing atomic contact areas in biomolecules.

    Science.gov (United States)

    Mach, Paul; Koehl, Patrice

    2013-01-15

    We propose a new analytical method for detecting and computing contacts between atoms in biomolecules. It is based on the alpha shape theory and proceeds in three steps. First, we compute the weighted Delaunay triangulation of the union of spheres representing the molecule. In the second step, the Delaunay complex is filtered to derive the dual complex. Finally, contacts between spheres are collected. In this approach, two atoms i and j are defined to be in contact if their centers are connected by an edge in the dual complex. The contact areas between atom i and its neighbors are computed based on the caps formed by these neighbors on the surface of i; the total area of all these caps is partitioned according to their spherical Laguerre Voronoi diagram on the surface of i. This method is analytical and its implementation in a new program BallContact is fast and robust. We have used BallContact to study contacts in a database of 1551 high resolution protein structures. We show that with this new definition of atomic contacts, we generate realistic representations of the environments of atoms and residues within a protein. In particular, we establish the importance of nonpolar contact areas that complement the information represented by the accessible surface areas. This new method bears similarity to the tessellation methods used to quantify atomic volumes and contacts, with the advantage that it does not require the presence of explicit solvent molecules if the surface of the protein is to be considered. © 2012 Wiley Periodicals, Inc. Copyright © 2012 Wiley Periodicals, Inc.

  20. Analytical theory for the nuclear level shift of hadronic atoms

    International Nuclear Information System (INIS)

    Kudryavtsev, A.E.; Lisin, V.I.; Popov, V.S.

    1982-01-01

    The spectrum problem in the Coulomb potential distorted at small distances is considered. Nuclear shifts of 3-levels in p anti p and Σ - p atoms are calculated. The probabilities of radiative transitions from p-states to the shifted s-states in hadronic atom are also given. It is shown that the reconstruction of atomic levels switches to oscillation regime when absorption increases. The limits of applicability of the perturbation theory in terms of the scattering length for different values of absorption is discussed. An exactly solvable model, Coulomb plus Yamaguchi potential, is considered

  1. Scheme of 2-dimensional atom localization for a three-level atom via quantum coherence

    OpenAIRE

    Zafar, Sajjad; Ahmed, Rizwan; Khan, M. Khalid

    2013-01-01

    We present a scheme for two-dimensional (2D) atom localization in a three-level atomic system. The scheme is based on quantum coherence via classical standing wave fields between the two excited levels. Our results show that conditional position probability is significantly phase dependent of the applied field and frequency detuning of spontaneously emitted photons. We obtain a single localization peak having probability close to unity by manipulating the control parameters. The effect of ato...

  2. 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...

  3. Laser techniques for spectroscopy of core-excited atomic levels

    Science.gov (United States)

    Harris, S. E.; Young, J. F.; Falcone, R. W.; Rothenberg, J. E.; Willison, J. R.

    1982-01-01

    We discuss three techniques which allow the use of tunable lasers for high resolution and picosecond time scale spectroscopy of core-excited atomic levels. These are: anti-Stokes absorption spectroscopy, laser induced emission from metastable levels, and laser designation of selected core-excited levels.

  4. The Coulomb law and atomic levels in a superstrong B

    Directory of Open Access Journals (Sweden)

    Vysotsky M.I.

    2014-04-01

    Full Text Available The spectrum of atomic levels of hydrogen-like ions originating from the lowest Landau level in an external homogeneous superstrong magnetic field is obtained. The influence of the screening of the Coulomb potential on the values of critical nuclear charges is studied.

  5. Computational challenges in atomic, molecular and optical physics.

    Science.gov (United States)

    Taylor, Kenneth T

    2002-06-15

    Six challenges are discussed. These are the laser-driven helium atom; the laser-driven hydrogen molecule and hydrogen molecular ion; electron scattering (with ionization) from one-electron atoms; the vibrational and rotational structure of molecules such as H(3)(+) and water at their dissociation limits; laser-heated clusters; and quantum degeneracy and Bose-Einstein condensation. The first four concern fundamental few-body systems where use of high-performance computing (HPC) is currently making possible accurate modelling from first principles. This leads to reliable predictions and support for laboratory experiment as well as true understanding of the dynamics. Important aspects of these challenges addressable only via a terascale facility are set out. Such a facility makes the last two challenges in the above list meaningfully accessible for the first time, and the scientific interest together with the prospective role for HPC in these is emphasized.

  6. Computer simulation of electronic excitation in atomic collision cascades

    International Nuclear Information System (INIS)

    Duvenbeck, A.

    2007-01-01

    The impact of an keV atomic particle onto a solid surface initiates a complex sequence of collisions among target atoms in a near-surface region. The temporal and spatial evolution of this atomic collision cascade leads to the emission of particles from the surface - a process usually called sputtering. In modern surface analysis the so called SIMS technology uses the flux of sputtered particles as a source of information on the microscopical stoichiometric structure in the proximity of the bombarded surface spots. By laterally varying the bombarding spot on the surface, the entire target can be scanned and chemically analyzed. However, the particle detection, which bases upon deflection in electric fields, is limited to those species that leave the surface in an ionized state. Due to the fact that the ionized fraction of the total flux of sputtered atoms often only amounts to a few percent or even less, the detection is often hampered by rather low signals. Moreover, it is well known, that the ionization probability of emitted particles does not only depend on the elementary species, but also on the local environment from which a particle leaves the surface. Therefore, the measured signals for different sputtered species do not necessarily represent the stoichiometric composition of the sample. In the literature, this phenomenon is known as the Matrix Effect in SIMS. In order to circumvent this principal shortcoming of SIMS, the present thesis develops an alternative computer simulation concept, which treats the electronic energy losses of all moving atoms as excitation sources feeding energy into the electronic sub-system of the solid. The particle kinetics determining the excitation sources are delivered by classical molecular dynamics. The excitation energy calculations are combined with a diffusive transport model to describe the spread of excitation energy from the initial point of generation. Calculation results yield a space- and time-resolved excitation

  7. Computer simulation of electronic excitation in atomic collision cascades

    Energy Technology Data Exchange (ETDEWEB)

    Duvenbeck, A.

    2007-04-05

    The impact of an keV atomic particle onto a solid surface initiates a complex sequence of collisions among target atoms in a near-surface region. The temporal and spatial evolution of this atomic collision cascade leads to the emission of particles from the surface - a process usually called sputtering. In modern surface analysis the so called SIMS technology uses the flux of sputtered particles as a source of information on the microscopical stoichiometric structure in the proximity of the bombarded surface spots. By laterally varying the bombarding spot on the surface, the entire target can be scanned and chemically analyzed. However, the particle detection, which bases upon deflection in electric fields, is limited to those species that leave the surface in an ionized state. Due to the fact that the ionized fraction of the total flux of sputtered atoms often only amounts to a few percent or even less, the detection is often hampered by rather low signals. Moreover, it is well known, that the ionization probability of emitted particles does not only depend on the elementary species, but also on the local environment from which a particle leaves the surface. Therefore, the measured signals for different sputtered species do not necessarily represent the stoichiometric composition of the sample. In the literature, this phenomenon is known as the Matrix Effect in SIMS. In order to circumvent this principal shortcoming of SIMS, the present thesis develops an alternative computer simulation concept, which treats the electronic energy losses of all moving atoms as excitation sources feeding energy into the electronic sub-system of the solid. The particle kinetics determining the excitation sources are delivered by classical molecular dynamics. The excitation energy calculations are combined with a diffusive transport model to describe the spread of excitation energy from the initial point of generation. Calculation results yield a space- and time-resolved excitation

  8. Field Level Computer Exploitation Package

    Science.gov (United States)

    2007-03-01

    to take advantage of the data retrieved from the computer. Major Barge explained that if a tool could be designed that nearly anyone could use...the study of network forensics. This has become a necessity because of the constantly growing eCommerce industry and the stiff competition between...Security. One big advantage that Insert has is the fact that it is quite small compared to most bootable CDs. At only 60 megabytes it can be burned

  9. Quantum state preparation using multi-level-atom optics

    International Nuclear Information System (INIS)

    Busch, Th; Deasy, K; Chormaic, S Nic

    2007-01-01

    One of the most important characteristics for controlling processes on the quantum scale is the fidelity or robustness of the techniques being used. In the case of single atoms localized in micro-traps, it was recently shown that the use of time-dependent tunnelling interactions in a multi-trap setup can be viewed as analogous to the area of multi-level optics. The atom's centre-of-mass can then be controlled with a high fidelity, using a STIRAP-type process. Here, we review previous work that led to the development of multi-level atom optics and present two examples of our most recent work on quantum state preparation

  10. Subwavelength atom localization via quantum coherence in a three-level atomic system

    Energy Technology Data Exchange (ETDEWEB)

    Ghafoor, Fazal [Centre for Quantum Physics, COMSATS Institute of Information Technology, Islamabad (Pakistan)

    2011-12-15

    We propose a three-level atomic system where quantum coherence is generated by a classical standing-wave field coupled to the two upper excited decaying levels. Quantum coherence results in cancellation of the spontaneously emitted spectral lines depending on the choice of the phase of the standing wave. We exploit this phenomenon for precision measurement of the atomic position in the standing wave. Measurement of the conditional position probability distribution shows one to eight peaks per unit wavelength of the standing wave. Only one controllable parameter, that is, the phase of the driving standing wave, is enough to control these atomic positions. Along with the other results, the result of obtaining a single peak is remarkable as it enhances the efficiency of our system by a factor of 8.

  11. Subwavelength atom localization via quantum coherence in a three-level atomic system

    International Nuclear Information System (INIS)

    Ghafoor, Fazal

    2011-01-01

    We propose a three-level atomic system where quantum coherence is generated by a classical standing-wave field coupled to the two upper excited decaying levels. Quantum coherence results in cancellation of the spontaneously emitted spectral lines depending on the choice of the phase of the standing wave. We exploit this phenomenon for precision measurement of the atomic position in the standing wave. Measurement of the conditional position probability distribution shows one to eight peaks per unit wavelength of the standing wave. Only one controllable parameter, that is, the phase of the driving standing wave, is enough to control these atomic positions. Along with the other results, the result of obtaining a single peak is remarkable as it enhances the efficiency of our system by a factor of 8.

  12. High-level language computer architecture

    CERN Document Server

    Chu, Yaohan

    1975-01-01

    High-Level Language Computer Architecture offers a tutorial on high-level language computer architecture, including von Neumann architecture and syntax-oriented architecture as well as direct and indirect execution architecture. Design concepts of Japanese-language data processing systems are discussed, along with the architecture of stack machines and the SYMBOL computer system. The conceptual design of a direct high-level language processor is also described.Comprised of seven chapters, this book first presents a classification of high-level language computer architecture according to the pr

  13. Parity violation in atoms towards the % level. How and Why?

    International Nuclear Information System (INIS)

    Piketty, C.A.

    1988-01-01

    We present results of the analyses of parity violation in the 6S-7S forbidden transition of atomic cesium. It is the only case where agreement has been achieved between several experiments, performed by different groups, using different techniques. The cesium is also the simplest heavy atom accessible to experiment, so that the atomic uncertainties can be kept at a tolerable level ( W . When the atomic and high energy experiments are analyzed a la Sakurai, they yield complementary information about vector electroweak quark coupling constants. If the 1% level of accuracy could be reached with the new experimental project of the Paris group, and if it is accompanied by a corresponding improvement of the atomic physics calculations, more stringent tests of alternatives to the standard model could be achieved. One could get information on the other electroweak parameter, the so-called weak axial moment A W . One could also begin to see the electroweak radiative corrections which provide an indirect test of the detailed structure of the underlying theory

  14. Geometric manipulation of the quantum states of two-level atoms

    International Nuclear Information System (INIS)

    Tian, Mingzhen; Barber, Zeb W.; Fischer, Joe A.; Babbitt, Wm. Randall

    2004-01-01

    Manipulation of the quantum states of two-level atoms has been investigated using laser-controlled geometric phase change, which has the potential to build robust quantum logic gates for quantum computing. For a qubit based on two electronic transition levels of an atom, two basic quantum operations that can make any universal single qubit gate have been designed employing resonant laser pulses. An operation equivalent to a phase gate has been demonstrated using Tm 3+ doped in a yttrium aluminum garnet crystal

  15. The geometric phase in two-level atomic systems

    International Nuclear Information System (INIS)

    Tian Mingzhen; Barber, Zeb W.; Fischer, Joe A.; Randall Babbitt, Wm.

    2004-01-01

    We report the observation of the geometric phase in a closed two-level atomic system using stimulated photon echoes. The two-level system studied consists of the two-electronic energy levels ( 3 H 4 and 3 H 6 ) of Tm 3+ doped in YAG crystal. When a two-level atom at an arbitrary superposition state is excited by a pair of specially designed laser pulses, the excited state component gains a relative phase with respect to the ground state component. We identified the phase shift to be of pure geometric nature. The dynamic phase associated to the driving Hamiltonian is unchanged. The experiment results of the phase change agree with the theory to the extent of the measurement limit

  16. Development of a microlesson in teaching energy levels of atoms

    Science.gov (United States)

    Rodriguez, Cherilyn A.; Buan, Amelia T.

    2018-01-01

    Energy levels of atoms is one of the difficult topics in understanding atomic structure of matter. It appears tobe abstract, theoretical and needs visual representation and images. Hence, in this study a microlesson in teaching the high school chemistry concept on the energy levels of atoms is developed and validated. The researchers utilized backward curriculum design in planning the microlesson to meet the standards of the science K-12 curriculum. The planning process of the microlesson involved a) Identifying the learning competencies in K-12 science curriculum b) write learning objectives c) planning of assessment tools d) making a storyboard e) designing the microlesson and validate and revise the microlesson. The microlesson made use of varied resources in the internet from which the students accessed and collected information about energy levels of atoms. Working in groups, the students synthesized the information on how and why fireworks produce various colors of light through a post card. Findings of the study showed that there was an increase of achievement in learning the content and the students were highly motivated to learn chemistry. Furthermore, the students perceived that the microlesson helped them to understand the chemistry concept through the use of appropriate multimedia activities.

  17. Citizen awareness level of the peaceful uses of atomic energy

    International Nuclear Information System (INIS)

    Elfawairs, Kh.; Elammari, M.

    2015-01-01

    This paper aims to know the level of public awareness of different types of people, about the peaceful application of nuclear energy. A questionnaire about this subject was distributed randomly in different cities in Libya; the questionnaire was targeting males and females with different educational levels. From data obtained and which was analyzed statistically comparing the educational level with the level of awareness. It was found that the highest contribution was for those holding university degrees 43%. Data analysis showed that 50.5% of the total number do not know what is meant by the peaceful uses of atomic energy and this significantly related to the educational level at significance level ∝=0.01. Concerning the assessment of environmental awareness of the Libyan citizens, 83.3% said that it is weak and the relation is not signification. Concerning the best ways of making people more aware of atomic energy and its peaceful uses 63.9% said all possible means should be used and 21.3% said practical application is the best way, where 13.9% said that they don't know. About the uses of nuclear technology in different fields, the participants had different views. From this study it was concluded that a%. Warnaco programs concerning the peaceful uses of atomic energy should be intensified.(author)

  18. Vapor generation and atom traps: Atomic absorption spectrometry at the ng/L level

    International Nuclear Information System (INIS)

    Ataman, O. Yavuz

    2008-01-01

    Atom-trapping atomic absorption spectrometry is a technique that allows detection at the ng/L level for several analytes such as As, Se, Sb, Pb, Bi, Cd, In, Tl, Te, Sn and Hg. The principle involves generation of volatile species, usually hydrides, trapping these species on the surface of an atom trap held at an optimized temperature and, finally, revolatilizing the analyte species by rapid heating of the trap and transporting them in a carrier gas to a heated quartz tube, as commonly used with hydride generation AAS systems. A transient signal having, in most cases, a full width at half maximum of less than 1 s is obtained. The atom trap may be a quartz surface or a W-coil; the former is heated externally and the latter is heated resistively. Both collection and revolatilization temperatures are optimized. In some cases, the W-coil itself is used as an electrothermal atomizer and a heated quartz tube is then not needed. The evolution of these traps starts with the well-known Watling's slotted quartz tube (SQT), continues with atom trapping SQT and finally reaches the present traps mentioned above. The analytical figures of merit for these traps need to be standardized. Naturally, enhancement is on characteristic concentration, C 0 , where the change in characteristic mass, m 0 , can be related to trapping efficiency. Novel terms are suggested for E, enhancement factor; such as E max , maximum enhancement factor; E t , enhancement for 1.0 minute sampling and E v , enhancement for 1.0 mL of sample. These figures will allow easy comparison of results from different laboratories as well as different analytes and/or traps

  19. Vapor generation and atom traps: Atomic absorption spectrometry at the ng/L level

    Energy Technology Data Exchange (ETDEWEB)

    Ataman, O. Yavuz [Department of Chemistry, Middle East Technical University, 06531 Ankara (Turkey)], E-mail: ataman@metu.edu.tr

    2008-08-15

    Atom-trapping atomic absorption spectrometry is a technique that allows detection at the ng/L level for several analytes such as As, Se, Sb, Pb, Bi, Cd, In, Tl, Te, Sn and Hg. The principle involves generation of volatile species, usually hydrides, trapping these species on the surface of an atom trap held at an optimized temperature and, finally, revolatilizing the analyte species by rapid heating of the trap and transporting them in a carrier gas to a heated quartz tube, as commonly used with hydride generation AAS systems. A transient signal having, in most cases, a full width at half maximum of less than 1 s is obtained. The atom trap may be a quartz surface or a W-coil; the former is heated externally and the latter is heated resistively. Both collection and revolatilization temperatures are optimized. In some cases, the W-coil itself is used as an electrothermal atomizer and a heated quartz tube is then not needed. The evolution of these traps starts with the well-known Watling's slotted quartz tube (SQT), continues with atom trapping SQT and finally reaches the present traps mentioned above. The analytical figures of merit for these traps need to be standardized. Naturally, enhancement is on characteristic concentration, C{sub 0}, where the change in characteristic mass, m{sub 0}, can be related to trapping efficiency. Novel terms are suggested for E, enhancement factor; such as E{sub max}, maximum enhancement factor; E{sub t}, enhancement for 1.0 minute sampling and E{sub v}, enhancement for 1.0 mL of sample. These figures will allow easy comparison of results from different laboratories as well as different analytes and/or traps.

  20. Level rearrangement in exotic atoms and quantum dots

    International Nuclear Information System (INIS)

    Combescure, Monique; Khare, Avinash; Raina, Ashok; Richard Jean-Marc; Weydert, Carole

    2007-01-01

    A presentation and a generalisation are given of the phenomenon of level rearrangement, which occurs when an attractive long-range potential is supplemented by a short-range attractive potential of increasing strength. This problem has been discovered in condensate-matter physics and has also been studied in the physics of exotic atoms. A similar phenomenon occurs in a situation inspired by quantum dots, where a short-range interaction is added to an harmonic confinement. (authors)

  1. Degradation of Phosphorene in Air: Understanding at Atomic Level

    OpenAIRE

    Wang, Gaoxue; Slough, William J.; Pandey, Ravindra; Karna, Shashi P.

    2015-01-01

    Phosphorene is a promising two dimensional (2D) material with a direct band gap, high carrier mobility, and anisotropic electronic properties. Phosphorene-based electronic devices, however, are found to degrade upon exposure to air. In this paper, we provide an atomic level understanding of stability of phosphorene in terms of its interaction with O2 and H2O. The results based on density functional theory together with first principles molecular dynamics calculations show that O2 could sponta...

  2. Chiral Gold Nanoclusters: Atomic Level Origins of Chirality.

    Science.gov (United States)

    Zeng, Chenjie; Jin, Rongchao

    2017-08-04

    Chiral nanomaterials have received wide interest in many areas, but the exact origin of chirality at the atomic level remains elusive in many cases. With recent significant progress in atomically precise gold nanoclusters (e.g., thiolate-protected Au n (SR) m ), several origins of chirality have been unveiled based upon atomic structures determined by using single-crystal X-ray crystallography. The reported chiral Au n (SR) m structures explicitly reveal a predominant origin of chirality that arises from the Au-S chiral patterns at the metal-ligand interface, as opposed to the chiral arrangement of metal atoms in the inner core (i.e. kernel). In addition, chirality can also be introduced by a chiral ligand, manifested in the circular dichroism response from metal-based electronic transitions other than the ligand's own transition(s). Lastly, the chiral arrangement of carbon tails of the ligands has also been discovered in a very recent work on chiral Au 133 (SR) 52 and Au 246 (SR) 80 nanoclusters. Overall, the origins of chirality discovered in Au n (SR) m nanoclusters may provide models for the understanding of chirality origins in other types of nanomaterials and also constitute the basis for the development of various applications of chiral nanoparticles. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Dressed-state analysis of efficient two-dimensional atom localization in a four-level atomic system

    International Nuclear Information System (INIS)

    Wang, Zhiping; Yu, Benli

    2014-01-01

    We investigate two-dimensional atom localization via spontaneous emission in a four-level atomic system. It is found that the detection probability and precision of two-dimensional atom localization can be significantly improved due to the interference effect between the spontaneous decay channels and the dynamically induced quantum interference generated by the probe and composite fields. More importantly, a 100% probability of finding an atom within the sub-half-wavelength domain of the standing waves can be reached when the corresponding conditions are satisfied. As a result, our scheme may be helpful in laser cooling or atom nano-lithography via atom localization. (paper)

  4. Atomic energy-level and Grotrian diagrams. Vol. 4

    International Nuclear Information System (INIS)

    Bashkin, S.; Stoner, J.O. Jr.

    1982-01-01

    This is the fifth in a series of volumes that present diagrammatically the spectra of atoms and monatomic ions. All observed transitions and all known levels of manganese are included. All wavelengths are given in angstroms in vacuum below 2000 A, in air above 2000 A. Energies of levels are specified in wavenumbers (cm -1 ), kcm -1 (1 X 10 3 cm -1 ), or Mcm -1 (1 X 10 6 cm -1 ). For energies, all experimentally significant figures are included; for wavelengths, we usually include two decimal places (three for the shortest wavelengths). Descriptions of levels are based in most cases upon the largest percentage contributions of elementary coupling arrangements to the levels. In a few instances several different descriptions of the same levels are presented. (Auth.)

  5. Microstructure, Properties and Atomic Level Strain in Severely Deformed Rare Metal Niobium

    Directory of Open Access Journals (Sweden)

    Lembit KOMMEL

    2012-12-01

    Full Text Available The mechanical and physical properties relationship from atomic level strain/stress causes dislocation density and electrical conductivity relationship, as well as crystallites deformation and hkl-parameter change in the severely deformed pure refractory rare metal Nb at ambient temperature and during short processing times. The above mentioned issues are discussed in this study. For ultrafine-grained and nanocrystalline microstructure forming in metal the equal-channel angular pressing and hard cyclic viscoplastic deformation were used. The flat deformation and heat treatment at different parameters were conducted as follows. The focused ion beam method was used for micrometric measures samples manufacturied under nanocrystalline microstructure study by transmission electron microscope. The microstructure features of metal were studied under different orientations by X-ray diffraction scattering method, and according to the atomic level strains, dislocation density, hkl-parameters and crystallite sizes were calculated by different computation methods. According to results the evolutions of atomic level strains/stresses, induced by processing features have great influence on the microstructure and advanced properties forming in pure Nb. Due to cumulative strain increase the tensile stress and hardness were increased significantly. In this case the dislocation density of Nb varies from 5.0E+10 cm–2 to 2.0E+11 cm–2. The samples from Nb at maximal atomic level strain in the (110 and (211 directions have the maximal values of hkl-parameters, highest tensile strength and hardness but minimal electrical conductivity. The crystallite size was minimal and relative atomic level strain maximal in (211 orientation of crystal. Next, flat deformation and heat treatment increase the atomic level parameters of severely deformed metal.DOI: http://dx.doi.org/10.5755/j01.ms.18.4.3091

  6. A theoretical and experimental study of neuromorphic atomic switch networks for reservoir computing.

    Science.gov (United States)

    Sillin, Henry O; Aguilera, Renato; Shieh, Hsien-Hang; Avizienis, Audrius V; Aono, Masakazu; Stieg, Adam Z; Gimzewski, James K

    2013-09-27

    Atomic switch networks (ASNs) have been shown to generate network level dynamics that resemble those observed in biological neural networks. To facilitate understanding and control of these behaviors, we developed a numerical model based on the synapse-like properties of individual atomic switches and the random nature of the network wiring. We validated the model against various experimental results highlighting the possibility to functionalize the network plasticity and the differences between an atomic switch in isolation and its behaviors in a network. The effects of changing connectivity density on the nonlinear dynamics were examined as characterized by higher harmonic generation in response to AC inputs. To demonstrate their utility for computation, we subjected the simulated network to training within the framework of reservoir computing and showed initial evidence of the ASN acting as a reservoir which may be optimized for specific tasks by adjusting the input gain. The work presented represents steps in a unified approach to experimentation and theory of complex systems to make ASNs a uniquely scalable platform for neuromorphic computing.

  7. Widths of the atomic K-N7 levels

    International Nuclear Information System (INIS)

    Campbell, J.L.; Papp, Tibor

    2001-01-01

    Atomic level widths obtained from experimental measurements are collected in Table I, along with the corresponding theoretical widths derived from the Evaluated Atomic Data Library (EADL) of Lawrence Livermore National Laboratory; these EADL values are based upon the Dirac-Hartree-Slater version of the independent-particle model. In a minority of cases, many-body theory predictions are also provided. A brief discussion of the manner in which the experimental widths were deduced from spectroscopic data is included. The bulk of the data are for elements in the solid state, but a few data for gases and simple compounds are included. For the K, L2, L3, and M5 levels, where Coster-Kronig contributions do not contribute or contribute only to a small extent to the overall widths, the EADL predictions appear satisfactory for elements in the solid state. For other levels, where Coster-Kronig and super-Coster-Kronig transitions have large probabilities within the independent-particle model, this model is not satisfactory. Table II provides a complete set of recommended elemental values based upon consideration of the available experimental data

  8. Atomic switches: atomic-movement-controlled nanodevices for new types of computing

    International Nuclear Information System (INIS)

    Hino, Takami; Hasegawa, Tsuyoshi; Terabe, Kazuya; Tsuruoka, Tohru; Nayak, Alpana; Ohno, Takeo; Aono, Masakazu

    2011-01-01

    Atomic switches are nanoionic devices that control the diffusion of metal cations and their reduction/oxidation processes in the switching operation to form/annihilate a metal atomic bridge, which is a conductive path between two electrodes in the on-state. In contrast to conventional semiconductor devices, atomic switches can provide a highly conductive channel even if their size is of nanometer order. In addition to their small size and low on-resistance, their nonvolatility has enabled the development of new types of programmable devices, which may achieve all the required functions on a single chip. Three-terminal atomic switches have also been developed, in which the formation and annihilation of a metal atomic bridge between a source electrode and a drain electrode are controlled by a third (gate) electrode. Three-terminal atomic switches are expected to enhance the development of new types of logic circuits, such as nonvolatile logic. The recent development of atomic switches that use a metal oxide as the ionic conductive material has enabled the integration of atomic switches with complementary metal-oxide-semiconductor (CMOS) devices, which will facilitate the commercialization of atomic switches. The novel characteristics of atomic switches, such as their learning and photosensing abilities, are also introduced in the latter part of this review. (topical review)

  9. Computerization of atomic level and transition data for the first and second ionization states of the elements hydrogen through phosphorous

    International Nuclear Information System (INIS)

    Henry, E.A.

    1976-01-01

    A computerized data base of atomic energy levels and atomic transition data has been developed from data published by the National Bureau of Standards. These data are of potential use for laser application. The MASTER CONTROL data-base management system is used. These computerized data can be requested from the ERDA Computer Program Exchange and Information Center of the Argonne National Laboratory or from the National Technical Information Service of the U.S. Department of Commerce

  10. Two-dimensional atom localization via two standing-wave fields in a four-level atomic system

    International Nuclear Information System (INIS)

    Zhang Hongtao; Wang Hui; Wang Zhiping

    2011-01-01

    We propose a scheme for the two-dimensional (2D) localization of an atom in a four-level Y-type atomic system. By applying two orthogonal standing-wave fields, the atoms can be localized at some special positions, leading to the formation of sub-wavelength 2D periodic spatial distributions. The localization peak position and number as well as the conditional position probability can be controlled by the intensities and detunings of optical fields.

  11. Near relativistic study of binded levels in atoms. Application to alkaline atoms

    International Nuclear Information System (INIS)

    Varade, A.; Delgado-Barrio, G.; Villarreal, P.

    1985-01-01

    A model is described for the calculation of the atomic binding energies. The Pauli equation has been solved with a local potential. The results for alkaline atoms are reported here and compared with the perturbative calculation and experimental data. (author)

  12. Degradation of phosphorene in air: understanding at atomic level

    International Nuclear Information System (INIS)

    Wang, Gaoxue; Slough, William J; Pandey, Ravindra; Karna, Shashi P

    2016-01-01

    Phosphorene is a promising two-dimensional (2D) material with a direct band gap, high carrier mobility, and anisotropic electronic properties. Phosphorene-based electronic devices, however, are found to degrade upon exposure to air. In this paper, we provide an atomic level understanding of the stability of phosphorene in terms of its interaction with O 2 and H 2 O. The results based on density functional theory together with first principles molecular dynamics calculations show that O 2 could the spontaneously dissociate on phosphorene at room temperature. H 2 O will not strongly interact with pristine phosphorene, however, an exothermic reaction could occur if phosphorene is first oxidized. The pathway of oxidation first, followed by exothermic reaction with water is the most likely route for the chemical degradation of phosphorene-based devices in air. (paper)

  13. Emission spectrum of a harmonically trapped Λ-type three-level atom

    International Nuclear Information System (INIS)

    Guo Hong; Tang Pei

    2013-01-01

    We theoretically investigate the emission spectrum for a Λ-type three-level atom trapped in the node of a standing wave. We show that the atomic center-of-mass motion not only directly affects the peak number, peak position, and peak height in the atomic emission spectrum, but also influences the effects of the cavity field and the atomic initial state on atomic emission spectrum. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  14. Two-dimensional atom localization based on coherent field controlling in a five-level M-type atomic system.

    Science.gov (United States)

    Jiang, Xiangqian; Li, Jinjiang; Sun, Xiudong

    2017-12-11

    We study two-dimensional sub-wavelength atom localization based on the microwave coupling field controlling and spontaneously generated coherence (SGC) effect. For a five-level M-type atom, introducing a microwave coupling field between two upper levels and considering the quantum interference between two transitions from two upper levels to lower levels, the analytical expression of conditional position probability (CPP) distribution is obtained using the iterative method. The influence of the detuning of a spontaneously emitted photon, Rabi frequency of the microwave field, and the SGC effect on the CPP are discussed. The two-dimensional sub-half-wavelength atom localization with high-precision and high spatial resolution is achieved by adjusting the detuning and the Rabi frequency, where the atom can be localized in a region smaller thanλ/10×λ/10. The spatial resolution is improved significantly compared with the case without the microwave field.

  15. Induced absorption and stimulated emission in a driven two-level atom

    International Nuclear Information System (INIS)

    Mavroyannis, C.

    1992-01-01

    We have considered the induced processes that occur in a driven two-level atom, where a laser photon is absorbed and emitted by the ground and by the excited states of the atom, respectively. In the low-intensity limit of the laser field, the induced spectra arising when a laser photon is absorbed by the ground state of the atom consist of two peaks describing induced absorption and stimulated-emission processes, respectively, where the former prevails over the latter. Asymmetry of the spectral lines occurs at off-resonance and its extent depends on the detuning of the laser field. The physical. process where a laser photon is emitted by the excited state is the reverse of that arising from the absorption of a laser photon by the ground state of the atom. The former differs from the latter in that the emission of a laser photon by the excited state occurs in the low frequency regime and that the stimulated-emission process prevails over that of the induced absorption. In this case, amplification of ultrashort pulses is likely to occur without the need of population inversion between the optical transitions. The computed spectra are graphically presented and discussed. (author)

  16. Teleporting N-qubit unknown atomic state by utilizing the V-type three-level atom

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Realizing the teleportation of quantum state, especially the teleportation of N-qubit quantum state, is of great importance in quantum information. In this paper, Raman-interaction of the V-type degenerate three-level atom and single-mode cavity field is studied by utilizing complete quantum theory. Then a new scheme for teleporting N-qubit unknown atomic state via Raman-interaction of the V-type degenerate three-level atom with a single-mode cavity field is proposed, which is based upon the complete quantum theory mentioned above.

  17. An automatic controlled apparatus of target chamber for atomic spectra and level lifetime measurements

    International Nuclear Information System (INIS)

    Zhao Mengchun; Yang Zhihu

    1998-01-01

    An automatically controlled apparatus of target chamber was made to measure spectra of the excited atoms and lifetime of the excited levels. The hardware is composed of nine parts including a computer and a step-motor, while the software consists of three branch programs. The maximum movable distance of target position is 65 cm with a step-length of 8.3 μm and a precision of +- 18 μm per 2 mm. On account of simple structure and double protection, the apparatus exhibits flexibility and reliability in years service

  18. Quantum Computation and Simulation Using Neutral Fermionic Atoms

    Science.gov (United States)

    2014-06-06

    Atomic and Solid State Physics Seminar on August 30, 2011.? Measuring the Collisional Frequency Shift in a Fermi Gas; XIII Cross? Border Laser...provide a mechanism to eliminate colli - sional interaction shifts in a Fermi gas. This has important ramifica- tions for optical lattice clocks which

  19. PHYSICS OF POLARIZED SCATTERING AT MULTI-LEVEL ATOMIC SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    Stenflo, J. O., E-mail: stenflo@astro.phys.ethz.ch [Institute of Astronomy, ETH Zurich, CH-8093 Zurich, SwitzerlandAND (Switzerland); Istituto Ricerche Solari Locarno, Via Patocchi, CH-6605 Locarno-Monti (Switzerland)

    2015-03-01

    The symmetric peak observed in linear polarization in the core of the solar sodium D{sub 1} line at 5896 Å has remained enigmatic since its discovery nearly two decades ago. One reason is that the theory of polarized scattering has not been experimentally tested for multi-level atomic systems in the relevant parameter domains, although the theory is continually being used for the interpretation of astrophysical observations. A laboratory experiment that was set up a decade ago to find out whether the D{sub 1} enigma is a problem of solar physics or quantum physics revealed that the D{sub 1} system has a rich polarization structure in situations where standard scattering theory predicts zero polarization, even when optical pumping of the m state populations of the hyperfine-split ground state is accounted for. Here we show that the laboratory results can be modeled in great quantitative detail if the theory is extended to include the coherences in both the initial and final states of the scattering process. Radiative couplings between the allowed dipole transitions generate coherences in the initial state. Corresponding coherences in the final state are then demanded by a phase closure selection rule. The experimental results for the well understood D{sub 2} line are used to constrain the two free parameters of the experiment, collision rate and optical depth, to suppress the need for free parameters when fitting the D{sub 1} results.

  20. 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)

  1. Quantum and semiclassical spin networks: from atomic and molecular physics to quantum computing and gravity

    Science.gov (United States)

    Aquilanti, Vincenzo; Bitencourt, Ana Carla P.; Ferreira, Cristiane da S.; Marzuoli, Annalisa; Ragni, Mirco

    2008-11-01

    The mathematical apparatus of quantum-mechanical angular momentum (re)coupling, developed originally to describe spectroscopic phenomena in atomic, molecular, optical and nuclear physics, is embedded in modern algebraic settings which emphasize the underlying combinatorial aspects. SU(2) recoupling theory, involving Wigner's 3nj symbols, as well as the related problems of their calculations, general properties, asymptotic limits for large entries, nowadays plays a prominent role also in quantum gravity and quantum computing applications. We refer to the ingredients of this theory—and of its extension to other Lie and quantum groups—by using the collective term of 'spin networks'. Recent progress is recorded about the already established connections with the mathematical theory of discrete orthogonal polynomials (the so-called Askey scheme), providing powerful tools based on asymptotic expansions, which correspond on the physical side to various levels of semi-classical limits. These results are useful not only in theoretical molecular physics but also in motivating algorithms for the computationally demanding problems of molecular dynamics and chemical reaction theory, where large angular momenta are typically involved. As for quantum chemistry, applications of these techniques include selection and classification of complete orthogonal basis sets in atomic and molecular problems, either in configuration space (Sturmian orbitals) or in momentum space. In this paper, we list and discuss some aspects of these developments—such as for instance the hyperquantization algorithm—as well as a few applications to quantum gravity and topology, thus providing evidence of a unifying background structure.

  2. A methodology for the extraction of quantitative information from electron microscopy images at the atomic level

    International Nuclear Information System (INIS)

    Galindo, P L; Pizarro, J; Guerrero, E; Guerrero-Lebrero, M P; Scavello, G; Yáñez, A; Sales, D L; Herrera, M; Molina, S I; Núñez-Moraleda, B M; Maestre, J M

    2014-01-01

    In this paper we describe a methodology developed at the University of Cadiz (Spain) in the past few years for the extraction of quantitative information from electron microscopy images at the atomic level. This work is based on a coordinated and synergic activity of several research groups that have been working together over the last decade in two different and complementary fields: Materials Science and Computer Science. The aim of our joint research has been to develop innovative high-performance computing techniques and simulation methods in order to address computationally challenging problems in the analysis, modelling and simulation of materials at the atomic scale, providing significant advances with respect to existing techniques. The methodology involves several fundamental areas of research including the analysis of high resolution electron microscopy images, materials modelling, image simulation and 3D reconstruction using quantitative information from experimental images. These techniques for the analysis, modelling and simulation allow optimizing the control and functionality of devices developed using materials under study, and have been tested using data obtained from experimental samples

  3. Unraveling atomic-level self-organization at the plasma-material interface

    Science.gov (United States)

    Allain, J. P.; Shetty, A.

    2017-07-01

    The intrinsic dynamic interactions at the plasma-material interface and critical role of irradiation-driven mechanisms at the atomic scale during exposure to energetic particles require a priori the use of in situ surface characterization techniques. Characterization of ‘active’ surfaces during modification at atomic-scale levels is becoming more important as advances in processing modalities are limited by an understanding of the behavior of these surfaces under realistic environmental conditions. Self-organization from exposure to non-equilibrium and thermalized plasmas enable dramatic control of surface morphology, topography, composition, chemistry and structure yielding the ability to tune material properties with an unprecedented level of control. Deciphering self-organization mechanisms of nanoscale morphology (e.g. nanodots, ripples) and composition on a variety of materials including: compound semiconductors, semiconductors, ceramics, polymers and polycrystalline metals via low-energy ion-beam assisted plasma irradiation are critical to manipulate functionality in nanostructured systems. By operating at ultra-low energies near the damage threshold, irradiation-driven defect engineering can be optimized and surface-driven mechanisms controlled. Tunability of optical, electronic, magnetic and bioactive properties is realized by reaching metastable phases controlled by atomic-scale irradiation-driven mechanisms elucidated by novel in situ diagnosis coupled to atomistic-level computational tools. Emphasis will be made on tailored surface modification from plasma-enhanced environments on particle-surface interactions and their subsequent modification of hard and soft matter interfaces. In this review, we examine current trends towards in situ and in operando surface and sub-surface characterization to unravel atomic-scale mechanisms at the plasma-material interface. This work will emphasize on recent advances in the field of plasma and ion

  4. Toward the Atomic-Level Mass Analysis of Biomolecules by the Scanning Atom Probe.

    Science.gov (United States)

    Nishikawa, Osamu; Taniguchi, Masahiro

    2017-04-01

    In 1994, a new type of atom probe instrument, named the scanning atom probe (SAP), was proposed. The unique feature of the SAP is the introduction of a small extraction electrode, which scans over a specimen surface and confines the high field, required for field evaporation of surface atoms in a small space, between the specimen and the electrode. Thus, the SAP does not require a sharp specimen tip. This indicates that the SAP can mass analyze the specimens which are difficult to form in a sharp tip, such as organic materials and biomolecules. Clean single wall carbon nanotubes (CNT), made by high-pressure carbon monoxide process are found to be the best substrates for biomolecules. Various amino acids and dipeptide biomolecules were successfully mass analyzed, revealing characteristic clusters formed by strongly bound atoms in the specimens. The mass analysis indicates that SAP analysis of biomolecules is not only qualitative, but also quantitative.

  5. Nanophotonic quantum computer based on atomic quantum transistor

    International Nuclear Information System (INIS)

    Andrianov, S N; Moiseev, S A

    2015-01-01

    We propose a scheme of a quantum computer based on nanophotonic elements: two buses in the form of nanowaveguide resonators, two nanosized units of multiatom multiqubit quantum memory and a set of nanoprocessors in the form of photonic quantum transistors, each containing a pair of nanowaveguide ring resonators coupled via a quantum dot. The operation modes of nanoprocessor photonic quantum transistors are theoretically studied and the execution of main logical operations by means of them is demonstrated. We also discuss the prospects of the proposed nanophotonic quantum computer for operating in high-speed optical fibre networks. (quantum computations)

  6. Nanophotonic quantum computer based on atomic quantum transistor

    Energy Technology Data Exchange (ETDEWEB)

    Andrianov, S N [Institute of Advanced Research, Academy of Sciences of the Republic of Tatarstan, Kazan (Russian Federation); Moiseev, S A [Kazan E. K. Zavoisky Physical-Technical Institute, Kazan Scientific Center, Russian Academy of Sciences, Kazan (Russian Federation)

    2015-10-31

    We propose a scheme of a quantum computer based on nanophotonic elements: two buses in the form of nanowaveguide resonators, two nanosized units of multiatom multiqubit quantum memory and a set of nanoprocessors in the form of photonic quantum transistors, each containing a pair of nanowaveguide ring resonators coupled via a quantum dot. The operation modes of nanoprocessor photonic quantum transistors are theoretically studied and the execution of main logical operations by means of them is demonstrated. We also discuss the prospects of the proposed nanophotonic quantum computer for operating in high-speed optical fibre networks. (quantum computations)

  7. A mass conserving level set method for detailed numerical simulation of liquid atomization

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Kun; Shao, Changxiao [State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027 (China); Yang, Yue [State Key Laboratory of Turbulence and Complex Systems, Peking University, Beijing 100871 (China); Fan, Jianren, E-mail: fanjr@zju.edu.cn [State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027 (China)

    2015-10-01

    An improved mass conserving level set method for detailed numerical simulations of liquid atomization is developed to address the issue of mass loss in the existing level set method. This method introduces a mass remedy procedure based on the local curvature at the interface, and in principle, can ensure the absolute mass conservation of the liquid phase in the computational domain. Three benchmark cases, including Zalesak's disk, a drop deforming in a vortex field, and the binary drop head-on collision, are simulated to validate the present method, and the excellent agreement with exact solutions or experimental results is achieved. It is shown that the present method is able to capture the complex interface with second-order accuracy and negligible additional computational cost. The present method is then applied to study more complex flows, such as a drop impacting on a liquid film and the swirling liquid sheet atomization, which again, demonstrates the advantages of mass conservation and the capability to represent the interface accurately.

  8. Localization of a two-level atom via the absorption spectrum

    International Nuclear Information System (INIS)

    Xu, Jun; Hu, Xiang-Ming

    2007-01-01

    We show that it is possible to localize a two-level atom as it passes through a standing-wave field by measuring the probe-field absorption. There is 50% detecting probability of the atom at the nodes of the standing-wave field in the subwavelength domain when the probe field is tuned resonant with the atomic transition

  9. Computer simulation of liquid cesium using embedded atom model

    International Nuclear Information System (INIS)

    Belashchenko, D K; Nikitin, N Yu

    2008-01-01

    The new method is presented for the inventing an embedded atom potential (EAM potential) for liquid metals. This method uses directly the pair correlation function (PCF) of the liquid metal near the melting temperature. Because of the specific analytic form of this EAM potential, the pair term of potential can be calculated using the pair correlation function and, for example, Schommers algorithm. Other parameters of EAM potential may be found using the potential energy, module of compression and pressure at some conditions, mainly near the melting temperature, at very high temperature or in strongly compressed state. We used the simple exponential formula for effective EAM electronic density and a polynomial series for embedding energy. Molecular dynamics method was applied with L. Verlet algorithm. A series of models with 1968 atoms in the basic cube was constructed in temperature interval 323-1923 K. The thermodynamic properties of liquid cesium, structure data and self-diffusion coefficients are calculated. In general, agreement between the model data and known experimental ones is reasonable. The evaluation is given for the critical temperature of cesium models with EAM potential

  10. Study of multi-level atomic systems with the application of magnetic field

    Science.gov (United States)

    Hu, Jianping; Roy, Subhankar; Ummal Momeen, M.

    2018-04-01

    The complexity of multiple energy levels associated with each atomic system determines the various processes related to light- matter interactions. It is necessary to understand the influence of different levels in a given atomic system. In this work we focus on multi- level atomic schemes with the application of magnetic field. We analyze the different EIT windows which appears in the presence of moderately high magnetic field (∼ 10 G) strength.

  11. Bibliography on atomic energy levels and spectra. Special pub., Jul 1971--Jun 1975

    International Nuclear Information System (INIS)

    Hagan, L.

    1977-01-01

    This is the first supplement to the NBS Special Publication 363, 'Bibliography on Atomic Energy Levels and Spectra, July 1968 through June 1971,' and it covers the most recent literature from July 1971 through June 1975. It contains approximately 2150 references classified by subject for individual atoms and atomic ions. A number index identifies the references. An author index is included. References included contain data on energy levels, classified lines, wavelengths, Zeeman effect, Stark effect, hyperfine structure, isotope shift, ionization potentials, or theory which gives results for specific atoms or atomic ions

  12. Off-resonant transitions in the collective dynamics of multi-level atomic ensembles

    DEFF Research Database (Denmark)

    Miroshnychenko, Yevhen; Mølmer, Klaus

    2013-01-01

    We study the contributions of off-resonant transitions to the dynamics of a system of N multi-level atoms sharing one excitation and interacting with the quantized vector electromagnetic field. The rotating wave approximation significantly simplifies the derivation of the equations of motion...... describing the collective atomic dynamics, but it leads to an incorrect expression for the dispersive part of the atom–atom interaction terms. For the case of two-level atoms and a scalar electromagnetic field, it turns out that the atom–atom interaction can be recovered correctly if integrals over...... the photon mode frequencies are extended to incorporate negative values. We explicitly derive the atom–atom interaction for multi-level atoms, coupled to the full vector electromagnetic field, and we recover also in this general case the validity of the results obtained by the extension to negative...

  13. Nanoscale phosphorus atom arrays created using STM for the fabrication of a silicon based quantum computer.

    Energy Technology Data Exchange (ETDEWEB)

    O' Brien, J. L. (Jeremy L.); Schofield, S. R. (Steven R.); Simmons, M. Y. (Michelle Y.); Clark, R. G. (Robert G.); Dzurak, A. S. (Andrew S.); Curson, N. J. (Neil J.); Kane, B. E. (Bruce E.); McAlpine, N. S. (Neal S.); Hawley, M. E. (Marilyn E.); Brown, G. W. (Geoffrey W.)

    2001-01-01

    Quantum computers offer the promise of formidable computational power for certain tasks. Of the various possible physical implementations of such a device, silicon based architectures are attractive for their scalability and ease of integration with existing silicon technology. These designs use either the electron or nuclear spin state of single donor atoms to store quantum information. Here we describe a strategy to fabricate an array of single phosphorus atoms in silicon for the construction of such a silicon based quantum computer. We demonstrate the controlled placement of single phosphorus bearing molecules on a silicon surface. This has been achieved by patterning a hydrogen mono-layer 'resist' with a scanning tunneling microscope (STM) tip and exposing the patterned surface to phosphine (PH3) molecules. We also describe preliminary studies into a process to incorporate these surface phosphorus atoms into the silicon crystal at the array sites. Keywords: Quantum computing, nanotechriology scanning turincling microscopy, hydrogen lithography

  14. Theoretical evaluation of matrix effects on trapped atomic levels

    International Nuclear Information System (INIS)

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

    1986-06-01

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

  15. Differences between application of some basic principles of quantum mechanics on atomic and mesoscopic levels

    OpenAIRE

    Nikulov, Alexey

    2005-01-01

    Formalism of the quantum mechanics developed for microscopic (atomic) level comes into collision with some logical difficulties on mesoscopic level. Some fundamental differences between application of its basic principles on microscopic and mesoscopic levels are accentuated.

  16. Optically Controlled Distributed Quantum Computing Using Atomic Ensembles As Qubits

    Science.gov (United States)

    2016-02-23

    of lambda - type atoms. In Section 3, we summarize the model we had de- veloped previously for light shift blockade (LSB) of collective ex- citation...plane of | 〉a c1 2 and | 〉c a1 2 , so that the rotation matrix can be written as ⎡ ⎣ ⎢ ⎢ ⎢ ⎢ ⎢ ⎢ ⎢ ⎤ ⎦ ⎥ ⎥ ⎥ ⎥ ⎥ ⎥ ⎥ = − R 1 0 0 0 0 1 2 1 2 0 0 1 2 1 2...the Hamiltonian in the basis of states a a1 2 , a c1 2 , c a1 2 and c c1 2 is = ⊗ + ⊗H H I I H1 2 1 2 where Ii is the identity matrix and Hi is the

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

    International Nuclear Information System (INIS)

    Li Ke; Ling Weijun

    2011-01-01

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

  18. An atomic-absorption programme for the Apple 2 plus computer

    International Nuclear Information System (INIS)

    Wepener, J.H.; Pearton, D.C.G.

    1982-01-01

    An interactive computer programme, the AA-PROGRAM APPLE, has been designed and written to process data obtained during routine analysis by atomic-absorption spectrophotometry. The programme is fast, convenient for the user, and was found to perform satisfactorily during routine operation in the laboratory. The computer used is an Apple II Plus with a video screen, and the language of the programme is Applesoft BASIC. Operating instructions for the computer and a printout of the programme are given in the Appendices

  19. Spontaneous emission spectrum of a four-level atom coupled by three kinds of reservoirs

    International Nuclear Information System (INIS)

    Yang Dong; Wang Jian; Zhang, Hanzhuang; Yao Jinbo

    2007-01-01

    A model of a four-level atom embedded in a double-band photonic crystal (PC) is presented. The atomic transitions from the upper two levels to the lower two levels are coupled by the same reservoir which is assumed in turn to be isotropic PC modes, anisotropic PC modes and free vacuum modes. The effects of the fine structure of the atomic ground state levels and the quantum interference on the spontaneous emission spectrum of an atom are investigated in detail. Most interestingly, it is shown for the first time that new spontaneous emission lines are produced from the fine splitting of atomic ground state levels in the isotropic PC case. Quantum interference induces additional narrow spontaneous lines near the transition from the empty upper level to the lower levels

  20. Adiabatic interpretation of a two-level atom diode, a laser device for unidirectional transmission of ground-state atoms

    International Nuclear Information System (INIS)

    Ruschhaupt, A.; Muga, J. G.

    2006-01-01

    We present a generalized two-level scheme for an 'atom diode', namely, a laser device that lets a two-level ground-state atom pass in one direction, say from left to right, but not in the opposite direction. The laser field is composed of two lateral state-selective mirror regions and a central pumping region. We demonstrate the robustness of the scheme and propose a physical realization. It is shown that the inclusion of a counterintuitive laser field blocking the excited atoms on the left side of the device is essential for a perfect diode effect. The reason for this, the diodic behavior, and the robustness may be understood with an adiabatic approximation. The conditions to break down the approximation, which imply also the diode failure, are analyzed

  1. Applications to particle and atomic physics of a ''theorem'' on the order of energy levels

    International Nuclear Information System (INIS)

    Grosse, H.; Pflug, A.; Martin, A.

    1984-01-01

    The sign of the Laplacian of the potential, in the Schroedinger equation, indicates in which way Coulomb degeneracy is lifted. We propose three applications of this property. The first one concerns the order of levels in heavy quark systems, the second the effects of the finite size of nuclei in mesic atoms, and the third the filling of atomic shells and the order of levels in alkaline atoms [fr

  2. Computer Simulation of Atoms Nuclei Structure Using Information Coefficients of Proportionality

    OpenAIRE

    Labushev, Mikhail M.

    2012-01-01

    The latest research of the proportionality of atomic weights of chemical elements made it possible to obtain 3 x 3 matrices for the calculation of information coefficients of proportionality Ip that can be used for 3D modeling of the structure of atom nucleus. The results of computer simulation show high potential of nucleus structure research for the characterization of their chemical and physical properties.

  3. 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.)

  4. Theoretical evaluation of matrix effects on trapped atomic levels

    Energy Technology Data Exchange (ETDEWEB)

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

    1986-06-01

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

  5. Atomic-level Electron Microscopy of Metal and Alloy Electrocatalysts

    DEFF Research Database (Denmark)

    Deiana, Davide

    , the elemental distribution of the PtxY, before and after the electrochemical tests, has been determined. A core-shell structure is formed after the ORR chemical treatment, with an alloyed core embedded by a ~1 nm Pt-rich shell, due to the segregation of the Y from the first few atomic layers of the particle...... was the only matching structure. In the case of Pd−Hg, a core-shell structure has been found, with a pure Pd core and a Pd-Hg shell. Through atomic resolution STEM, the structure of the alloy in the shell of different particles has been revealed, showing the formation of an ordered alloy structure....... flat surfaces and exposed to different sintering conditions. Ex situ STEM imaging has been used to monitor the variation of the particle dimensions through the analysis of particle area distributions. Clusters with a monomodal size distribution exhibited intrinsic sintering resistance on different...

  6. Tunneling and traversal of ultracold three-level atoms through vacuum-induced potentials

    Energy Technology Data Exchange (ETDEWEB)

    Badshah, Fazal; Irfan, Muhammad; Qamar, Shahid [Department of Physics and Applied Mathematics, Pakistan Institute of Engineering and Applied Sciences, Nilore, Islamabad 45650 (Pakistan); Qamar, Sajid [Department of Physics, COMSATS Institute of Information Technology, Islamabad (Pakistan)

    2011-09-15

    The passage of ultracold three-level atoms through the potential induced by the vacuum cavity mode is discussed using cascade atomic configuration. We study the tunneling or traversal time of the ultracold atoms via a bimodal high-Q cavity. It is found that the phase time, which may be considered as a measure for the time required to traverse the cavity, exhibits superclassical and subclassical behaviors. Further, the dark states and interference effects in cascade atomic configuration may influence the passage time of the atom through the cavity.

  7. Tunneling and traversal of ultracold three-level atoms through vacuum-induced potentials

    International Nuclear Information System (INIS)

    Badshah, Fazal; Irfan, Muhammad; Qamar, Shahid; Qamar, Sajid

    2011-01-01

    The passage of ultracold three-level atoms through the potential induced by the vacuum cavity mode is discussed using cascade atomic configuration. We study the tunneling or traversal time of the ultracold atoms via a bimodal high-Q cavity. It is found that the phase time, which may be considered as a measure for the time required to traverse the cavity, exhibits superclassical and subclassical behaviors. Further, the dark states and interference effects in cascade atomic configuration may influence the passage time of the atom through the cavity.

  8. Oscillations of Doppler-Raby of two level atom moving in resonator

    International Nuclear Information System (INIS)

    Kozlovskij, A.V.

    2001-01-01

    The interaction of the two-level atom with the quantum mode of the high-quality resonator uniformly moving by the classic trajectory, is considered. The recurrent formula for the probability of the atom transition with the photon radiation is determined through the dressed states method. It is shown, that the ratio between the Doppler shift value of the atom transition and the Raby frequency value of the atom-field system qualitatively effects the dependence of the moving atom transition probability on its position in the resonator, as well as on its value [ru

  9. Computer simulation of atomic collision processes in solids

    International Nuclear Information System (INIS)

    Robinson, M.T.

    1992-11-01

    Computer simulation is a major tool for studying the interactions of swift ions with solids which underlie processes such as particle backscattering, ion implantation, radiation damage, and sputtering. Numerical models are classed as molecular dynamics or binary collision models, along with some intermediate types. Binary collision models are divided into those for crystalline targets and those for structureless ones. The foundations of such models are reviewed, including interatomic potentials, electron excitations, and relationships among the various types of codes. Some topics of current interest are summarized

  10. Component-Level Demonstration of a Microfabricated Atomic Frequency Reference

    Science.gov (United States)

    2005-08-01

    Kitching, L. A. Liew, and J. Moreland, "A microfabricated atomic clock," Applied Physics Letters, vol. 85, pp. 1460-1462, 2004. [4] R. Lutwak , P...Symposium on Frequency Standards and Metrology, P. Gill, Ed. St. Andrews, Scotland: World Scientific, 2001, pp. 155-166. [31] R. Lutwak , D. Emmons...Frequency and Time Forum. Tampa, FL, 2003, pp. 31-32. [71] R. Lutwak , D. Emmons, T. English, W. Riley, A. Duwel, M. Varghese, D. K. Serkland, and

  11. Dynamic evolution of double Λ five-level atom interacting with one ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 89; Issue 6. Dynamic evolution ... Five-level atom; squeezing; collapse revivals. Abstract. In this paper, the model describing a double Λ five-level atom interacting with a single mode electromagnetic cavity field in the (off) non-resonate case is studied. We obtained the ...

  12. An accurate conservative level set/ghost fluid method for simulating turbulent atomization

    International Nuclear Information System (INIS)

    Desjardins, Olivier; Moureau, Vincent; Pitsch, Heinz

    2008-01-01

    This paper presents a novel methodology for simulating incompressible two-phase flows by combining an improved version of the conservative level set technique introduced in [E. Olsson, G. Kreiss, A conservative level set method for two phase flow, J. Comput. Phys. 210 (2005) 225-246] with a ghost fluid approach. By employing a hyperbolic tangent level set function that is transported and re-initialized using fully conservative numerical schemes, mass conservation issues that are known to affect level set methods are greatly reduced. In order to improve the accuracy of the conservative level set method, high order numerical schemes are used. The overall robustness of the numerical approach is increased by computing the interface normals from a signed distance function reconstructed from the hyperbolic tangent level set by a fast marching method. The convergence of the curvature calculation is ensured by using a least squares reconstruction. The ghost fluid technique provides a way of handling the interfacial forces and large density jumps associated with two-phase flows with good accuracy, while avoiding artificial spreading of the interface. Since the proposed approach relies on partial differential equations, its implementation is straightforward in all coordinate systems, and it benefits from high parallel efficiency. The robustness and efficiency of the approach is further improved by using implicit schemes for the interface transport and re-initialization equations, as well as for the momentum solver. The performance of the method is assessed through both classical level set transport tests and simple two-phase flow examples including topology changes. It is then applied to simulate turbulent atomization of a liquid Diesel jet at Re=3000. The conservation errors associated with the accurate conservative level set technique are shown to remain small even for this complex case

  13. Quantum coherence dynamics of a three-level atom in a two-mode field

    International Nuclear Information System (INIS)

    Solovarov, N. K.

    2008-01-01

    The correlated dynamics of a three-level atom resonantly coupled to an electromagnetic cavity field is calculated (Λ, V, and L models). A diagrammatic representation of quantum dynamics is proposed for these models. As an example, Λ-atom dynamics is examined to demonstrate how the use of conventional von Neumann's reduction leads to internal decoherence (disentanglement-induced decoherence) and to the absence of atomic coherence under multiphoton excitation. The predicted absence of atomic coherence is inconsistent with characteristics of an experimentally observed atom-photon entangled state. It is shown that the correlated reduction of a composite quantum system proposed in [18] qualitatively predicts the occurrence and evolution of atomic coherence under multiphoton excitation if a seed coherence is introduced into any subsystem (the atom or a cavity mode)

  14. Dynamics of a trapped two-level and three-level atom interacting with classical electromagnetic field

    International Nuclear Information System (INIS)

    Ray, Aditi

    2004-01-01

    The dynamics of a two-level atom driven by a single laser beam and three-level atom (Lambda configuration) irradiated by two laser beams are studied taking into account of the quantized center-of-mass motion of the atom. It is shown that the trapped atom system under appropriate resonance condition exhibits the large time-scale revivals when the index of the vibrational sideband responsible for the atomic electronic transition is greater than unity. The revival times are shown to be dependent on the initial number of vibrational excitations and the magnitude of the Lamb-Dicke parameter. The sub-Poissonian statistics in vibrational quantum number is observed at certain time intervals. The minimum time of interaction for which the squeezed states of motional quadrature are generated is found to be decreasing with the increase in the Lamb-Dicke parameter

  15. Computer programs in BASIC language for atomic absorption flame spectroscopy. Part 1. Operating instructions

    International Nuclear Information System (INIS)

    Boyle, W.G. Jr.

    1977-01-01

    These instructions describe how to use three BASIC language programs to process data from atomic absorption spectrophotometers operated in the flame mode. These programs will also control an automatic sampler if desired. The instructions cover loading the programs, responding to computer prompts, choosing among various options for processing the data, operating the automatic sampler, and producing reports. How the programs differ is also explained. Examples of computer/operator dialogue are presented for typical cases

  16. Three-dimensional time-dependent computer modeling of the electrothermal atomizers for analytical spectrometry

    Science.gov (United States)

    Tsivilskiy, I. V.; Nagulin, K. Yu.; Gilmutdinov, A. Kh.

    2016-02-01

    A full three-dimensional nonstationary numerical model of graphite electrothermal atomizers of various types is developed. The model is based on solution of a heat equation within solid walls of the atomizer with a radiative heat transfer and numerical solution of a full set of Navier-Stokes equations with an energy equation for a gas. Governing equations for the behavior of a discrete phase, i.e., atomic particles suspended in a gas (including gas-phase processes of evaporation and condensation), are derived from the formal equations molecular kinetics by numerical solution of the Hertz-Langmuir equation. The following atomizers test the model: a Varian standard heated electrothermal vaporizer (ETV), a Perkin Elmer standard THGA transversely heated graphite tube with integrated platform (THGA), and the original double-stage tube-helix atomizer (DSTHA). The experimental verification of computer calculations is carried out by a method of shadow spectral visualization of the spatial distributions of atomic and molecular vapors in an analytical space of an atomizer.

  17. Ultimate temperature for laser cooling of two-level neutral atoms

    International Nuclear Information System (INIS)

    Bagnato, V.S.; Zilio, S.C.

    1989-01-01

    We present a simple pedagogical method to evaluate the minimum attainable temperature for laser cooling of two-level neutral atoms. Results are given as a function of the laser detuning and intensity. We also discuss the use of this approach to predict the minimum temperature of neutral atoms confined in magnetic traps. (author) [pt

  18. Vacuum-induced stationary entanglement in radiatively coupled three-level atoms

    International Nuclear Information System (INIS)

    Derkacz, Lukasz; Jakobczyk, Lech

    2008-01-01

    We consider a pair of three-level atoms interacting with a common vacuum and analyse the process of entanglement production due to spontaneous emission. We show that in the case of closely separated atoms collective damping can generate robust entanglement of the asymptotic states

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

    International Nuclear Information System (INIS)

    Zhang Jiansong; Xu Jingbo

    2006-01-01

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

  20. Vacuum-induced stationary entanglement in radiatively coupled three-level atoms

    Energy Technology Data Exchange (ETDEWEB)

    Derkacz, Lukasz; Jakobczyk, Lech [Institute of Theoretical Physics, University of Wroclaw, Plac Maxa Borna 9, 50-204 Wroclaw (Poland)], E-mail: ljak@ift.uni.wroc.pl

    2008-05-23

    We consider a pair of three-level atoms interacting with a common vacuum and analyse the process of entanglement production due to spontaneous emission. We show that in the case of closely separated atoms collective damping can generate robust entanglement of the asymptotic states.

  1. DBAC: A simple prediction method for protein binding hot spots based on burial levels and deeply buried atomic contacts

    Science.gov (United States)

    2011-01-01

    Background A protein binding hot spot is a cluster of residues in the interface that are energetically important for the binding of the protein with its interaction partner. Identifying protein binding hot spots can give useful information to protein engineering and drug design, and can also deepen our understanding of protein-protein interaction. These residues are usually buried inside the interface with very low solvent accessible surface area (SASA). Thus SASA is widely used as an outstanding feature in hot spot prediction by many computational methods. However, SASA is not capable of distinguishing slightly buried residues, of which most are non hot spots, and deeply buried ones that are usually inside a hot spot. Results We propose a new descriptor called “burial level” for characterizing residues, atoms and atomic contacts. Specifically, burial level captures the depth the residues are buried. We identify different kinds of deeply buried atomic contacts (DBAC) at different burial levels that are directly broken in alanine substitution. We use their numbers as input for SVM to classify between hot spot or non hot spot residues. We achieve F measure of 0.6237 under the leave-one-out cross-validation on a data set containing 258 mutations. This performance is better than other computational methods. Conclusions Our results show that hot spot residues tend to be deeply buried in the interface, not just having a low SASA value. This indicates that a high burial level is not only a necessary but also a more sufficient condition than a low SASA for a residue to be a hot spot residue. We find that those deeply buried atoms become increasingly more important when their burial levels rise up. This work also confirms the contribution of deeply buried interfacial atomic contacts to the energy of protein binding hot spot. PMID:21689480

  2. Teleporting the one-qubit state via two-level atoms with spontaneous emission

    Energy Technology Data Exchange (ETDEWEB)

    Hu Mingliang, E-mail: mingliang0301@xupt.edu.cn, E-mail: mingliang0301@163.com [School of Science, Xi' an University of Posts and Telecommunications, Xi' an 710061 (China)

    2011-05-14

    We study quantum teleportation via two two-level atoms coupled collectively to a multimode vacuum field and prepared initially in different atomic states. We concentrated on the influence of the spontaneous emission, collective damping and dipole-dipole interaction of the atoms on fidelity dynamics of quantum teleportation and obtained the region of spatial distance between the two atoms over which the state can be teleported nonclassically. Moreover, we showed through concrete examples that entanglement of the channel state is the prerequisite but not the only essential quantity for predicting the teleportation fidelity.

  3. 2D atom localization in a four-level tripod system in laser fields

    OpenAIRE

    Ivanov, Vladimir; Rozhdestvensky, Yuri

    2012-01-01

    We propose a scheme for two-dimensional (2D) atom localization in a four-level tripod system under an influence of two orthogonal standing-wave fields. Position information of the atom is retained in the atomic internal states by an additional probe field either of a standing or of a running wave. It is shown that the localization factors depend crucially on the atom-field coupling that results in such spatial structures of populations as spikes, craters and waves. We demonstrate a high-preci...

  4. Factors Influencing Exemplary Science Teachers' Levels of Computer Use

    Science.gov (United States)

    Hakverdi, Meral; Dana, Thomas M.; Swain, Colleen

    2011-01-01

    The purpose of this study was to examine exemplary science teachers' use of technology in science instruction, factors influencing their level of computer use, their level of knowledge/skills in using specific computer applications for science instruction, their use of computer-related applications/tools during their instruction, and their…

  5. Serum immunoglobulin levels in atomic bomb survivors, Hiroshima

    Energy Technology Data Exchange (ETDEWEB)

    Hall, C B; Hall, W J; Ashley, F W; Hamilton, H B

    1972-01-01

    Serum immunoglobulins (SI) were determined in 803 survivors and matched controls. Each subject's age, sex, health, exposure, and medical record were evaluated with respect to serum IgG, IgA, IgM levels. The IgG and IgA levels tended to be higher for this Hiroshima population than for Americans. Past exposure to ionizing radiation showed no significant correlation to SI levels. However, age and sex did influence the SI. IgM was significantly higher in females. With advancing age IgG and IgA increased in males, and IgM decreased in females. Elevated sedimentation rate and increased lymphocytes were accompanied by increased SI levels. Radiographic TB was detected in 45% of the population; IgG and IgA levels were somewhat elevated in these individuals. (DLC)

  6. Research and development of grid computing technology in center for computational science and e-systems of Japan Atomic Energy Agency

    International Nuclear Information System (INIS)

    Suzuki, Yoshio

    2007-01-01

    Center for Computational Science and E-systems of the Japan Atomic Energy Agency (CCSE/JAEA) has carried out R and D of grid computing technology. Since 1995, R and D to realize computational assistance for researchers called Seamless Thinking Aid (STA) and then to share intellectual resources called Information Technology Based Laboratory (ITBL) have been conducted, leading to construct an intelligent infrastructure for the atomic energy research called Atomic Energy Grid InfraStructure (AEGIS) under the Japanese national project 'Development and Applications of Advanced High-Performance Supercomputer'. It aims to enable synchronization of three themes: 1) Computer-Aided Research and Development (CARD) to realize and environment for STA, 2) Computer-Aided Engineering (CAEN) to establish Multi Experimental Tools (MEXT), and 3) Computer Aided Science (CASC) to promote the Atomic Energy Research and Investigation (AERI). This article reviewed achievements in R and D of grid computing technology so far obtained. (T. Tanaka)

  7. Computer simulation of void formation in residual gas atom free metals by dual beam irradiation experiments

    International Nuclear Information System (INIS)

    Shimomura, Y.; Nishiguchi, R.; La Rubia, T.D. de; Guinan, M.W.

    1992-01-01

    In our recent experiments (1), we found that voids nucleate at vacancy clusters which trap gas atoms such as hydrogen and helium in ion- and neutron-irradiated copper. A molecular dynamics computer simulation, which implements an empirical embedded atom method to calculate forces that act on atoms in metals, suggests that a void nucleation occurs in pure copper at six and seven vacancy clusters. The structure of six and seven vacancy clusters in copper fluctuates between a stacking fault tetrahedron and a void. When a hydrogen is trapped at voids of six and seven vacancy, a void can keep their structure for appreciably long time; that is, the void do not relax to a stacking fault tetrahedron and grows to a large void. In order to explore the detailed atomics of void formation, it is emphasized that dual-beam irradiation experiments that utilize beams of gas atoms and self-ions should be carried out with residual gas atom free metal specimens. (author)

  8. Realization of a holonomic quantum computer in a chain of three-level systems

    Energy Technology Data Exchange (ETDEWEB)

    Gürkan, Zeynep Nilhan, E-mail: nilhan.gurkan@gediz.edu.tr [Department of Industrial Engineering, Gediz University, Seyrek, 35665 Menemen, Izmir (Turkey); Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, 117543 Singapore (Singapore); Sjöqvist, Erik, E-mail: erik.sjoqvist@kemi.uu.se [Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden); Department of Quantum Chemistry, Uppsala University, Box 518, SE-751 20 Uppsala (Sweden)

    2015-12-18

    Holonomic quantum computation is the idea to use non-Abelian geometric phases to implement universal quantum gates that are robust to fluctuations in control parameters. Here, we propose a compact design for a holonomic quantum computer based on coupled three-level systems. The scheme does not require adiabatic evolution and can be implemented in arrays of atoms or ions trapped in tailored standing wave potentials. - Highlights: • We develop a novel scheme for universal holonomic quantum computation. • The scheme involves non-Abelian geometric phases in a spin-chain. • The resources scale linearly with the number of logical qubits. • The scheme does not require adiabatic evolution.

  9. Realization of a holonomic quantum computer in a chain of three-level systems

    International Nuclear Information System (INIS)

    Gürkan, Zeynep Nilhan; Sjöqvist, Erik

    2015-01-01

    Holonomic quantum computation is the idea to use non-Abelian geometric phases to implement universal quantum gates that are robust to fluctuations in control parameters. Here, we propose a compact design for a holonomic quantum computer based on coupled three-level systems. The scheme does not require adiabatic evolution and can be implemented in arrays of atoms or ions trapped in tailored standing wave potentials. - Highlights: • We develop a novel scheme for universal holonomic quantum computation. • The scheme involves non-Abelian geometric phases in a spin-chain. • The resources scale linearly with the number of logical qubits. • The scheme does not require adiabatic evolution.

  10. Propagation of frequency-chirped laser pulses in a medium of atoms with a Λ-level scheme

    International Nuclear Information System (INIS)

    Demeter, G.; Dzsotjan, D.; Djotyan, G. P.

    2007-01-01

    We study the propagation of frequency-chirped laser pulses in optically thick media. We consider a medium of atoms with a Λ level-scheme (Lambda atoms) and also, for comparison, a medium of two-level atoms. Frequency-chirped laser pulses that induce adiabatic population transfer between the atomic levels are considered. They induce transitions between the two lower (metastable) levels of the Λ-atoms and between the ground and excited states of the two-level atoms. We show that associated with this adiabatic population transfer in Λ-atoms, there is a regime of enhanced transparency of the medium--the pulses are distorted much less than in the medium of two-level atoms and retain their ability to transfer the atomic population much longer during propagation

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  12. Reactive wavepacket dynamics for four atom systems on scalable parallel computers

    International Nuclear Information System (INIS)

    Goldfield, E.M.

    1994-01-01

    While time-dependent quantum mechanics has been successfully applied to many three atom systems, it was nevertheless a computational challenge to use wavepacket methods to study four atom systems, systems with several heavy atoms, and systems with deep potential wells. S.K. Gray and the author are studying the reaction of OH + CO ↔ (HOCO) ↔ H + CO 2 , a difficult reaction by all the above criteria. Memory considerations alone made it impossible to use a single IBM RS/6000 workstation to study a four degree-of-freedom model of this system. They have developed a scalable parallel wavepacket code for the IBM SP1 and have run it on the SP1 at Argonne and at the Cornell Theory Center. The wavepacket, defined on a four dimensional grid, is spread out among the processors. Two-dimensional FFT's are used to compute the kinetic energy operator acting on the wavepacket. Accomplishing this task, which is the computationally intensive part of the calculation, requires a global transpose of the data. This transpose is the only serious communication between processors. Since the problem is essentially data-parallel, communication is regular and load-balancing is excellent. But as the problem is moderately fine-grained and messages are long, the ratio of communication to computation is somewhat high and they typically get about 55% of ideal speed-up

  13. Coherent effects on two-photon correlation and directional emission of two two-level atoms

    International Nuclear Information System (INIS)

    Ooi, C. H. Raymond; Kim, Byung-Gyu; Lee, Hai-Woong

    2007-01-01

    Sub- and superradiant dynamics of spontaneously decaying atoms are manifestations of collective many-body systems. We study the internal dynamics and the radiation properties of two atoms in free space. Interesting results are obtained when the atoms are separated by less than half a wavelength of the atomic transition, where the dipole-dipole interaction gives rise to new coherent effects, such as (a) coherence between two intermediate collective states, (b) oscillations in the two-photon correlation G (2) , (c) emission of two photons by one atom, and (d) the loss of directional correlation. We compare the population dynamics during the two-photon emission process with the dynamics of single-photon emission in the cases of a Λ and a V scheme. We compute the temporal correlation and angular correlation of two successively emitted photons using the G (2) for different values of atomic separation. We find antibunching when the atomic separation is a quarter wavelength λ/4. Oscillations in the temporal correlation provide a useful feature for measuring subwavelength atomic separation. Strong directional correlation between two emitted photons is found for atomic separation larger than a wavelength. We also compare the directionality of a photon spontaneously emitted by the two atoms prepared in phased-symmetric and phased-antisymmetric entangled states vertical bar ±> k 0 =e ik 0 ·r 1 vertical bar a 1 ,b 2 >±e ik 0 ·r 2 vertical bar b 1 ,a 2 > by a laser pulse with wave vector k 0 . Photon emission is directionally suppressed along k 0 for the phased-antisymmetric state. The directionality ceases for interatomic distances less than λ/2

  14. Computational analysis of the atomic size effect in bulk metallic glasses and their liquid precursors

    International Nuclear Information System (INIS)

    Kokotin, V.; Hermann, H.

    2008-01-01

    The atomic size effect and its consequences for the ability of multicomponent liquid alloys to form bulk metallic glasses are analyzed in terms of the generalized Bernal's model for liquids, following the hypothesis that maximum density in the liquid state improves the glass-forming ability. The maximum density that can be achieved in the liquid state is studied in the 2(N-1) dimensional parameter space of N-component systems. Computer simulations reveal that the size ratio of largest to smallest atoms are most relevant for achieving the maximum packing for N = 3-5, whereas the number of components plays a minor role. At small size ratio, the maximum packing density can be achieved by different atomic size distributions, whereas for medium size ratios the maximum density is always correlated to a concave size distribution. The relationship of the results to Miracle's efficient cluster packing model is also discussed

  15. Applications of Atomic Systems in Quantum Simulation, Quantum Computation and Topological Phases of Matter

    Science.gov (United States)

    Wang, Shengtao

    The ability to precisely and coherently control atomic systems has improved dramatically in the last two decades, driving remarkable advancements in quantum computation and simulation. In recent years, atomic and atom-like systems have also been served as a platform to study topological phases of matter and non-equilibrium many-body physics. Integrated with rapid theoretical progress, the employment of these systems is expanding the realm of our understanding on a range of physical phenomena. In this dissertation, I draw on state-of-the-art experimental technology to develop several new ideas for controlling and applying atomic systems. In the first part of this dissertation, we propose several novel schemes to realize, detect, and probe topological phases in atomic and atom-like systems. We first theoretically study the intriguing properties of Hopf insulators, a peculiar type of topological insulators beyond the standard classification paradigm of topological phases. Using a solid-state quantum simulator, we report the first experimental observation of Hopf insulators. We demonstrate the Hopf fibration with fascinating topological links in the experiment, showing clear signals of topological phase transitions for the underlying Hamiltonian. Next, we propose a feasible experimental scheme to realize the chiral topological insulator in three dimensions. They are a type of topological insulators protected by the chiral symmetry and have thus far remained unobserved in experiment. We then introduce a method to directly measure topological invariants in cold-atom experiments. This detection scheme is general and applicable to probe of different topological insulators in any spatial dimension. In another study, we theoretically discover a new type of topological gapless rings, dubbed a Weyl exceptional ring, in three-dimensional dissipative cold atomic systems. In the second part of this dissertation, we focus on the application of atomic systems in quantum computation

  16. Non-linear interactions of multi-level atoms with a near-resonant standing wave

    International Nuclear Information System (INIS)

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

    1998-01-01

    Using a semiclassical density matrix formalism we have calculated the behavior of multi-level atoms interacting with a standing wave field, and show how complex non-linear phenomena, including multi-photon effects, combine to produce saturation spectra as observed in experiments. We consider both 20-level sodium and 24-level rubidium models, contrasting these with a simple 2-level case. The influence of parameters such as atomic trajectory and the time the atom remains in the beam are shown to have a critical effect on the lineshape of these resonances and the emission/absorption processes. Stable oscillations in the excited state populations for both the two-level and multi-level cases are shown to be limit cycles. These limit cycles undergo period doubling as the system evolves into chaos. Finally, using a Monte Carlo treatment, these processes average to produce saturated absorption spectra complete with power and Doppler broadening effects consistent with experiment. (authors)

  17. Coherent scattering of three-level atoms in the field of a bichromatic standing light wave

    International Nuclear Information System (INIS)

    Pazgalev, A.S.; Rozhdestvenskii, Yu.V.

    1996-01-01

    We discuss the coherent scattering of three-level atoms in the field of two standing light waves for two values of the spatial shift. In the case of a zero spatial shift and equal frequency detunings of the standing waves, the problem of scattering of a three-level atoms is reduced to scattering of an effectively two-level atom. For the case of an exact resonance between the waves and transitions we give expressions for the population probability of the states of the three-level atom obtained in the short-interaction-time approximation. Depending on the initial population distribution over the states, different scattering modes are realized. In particular, we show that there can be initial conditions for which the three-level system does not interact with the field of the standing waves, with the result that there is no coherent scattering of atoms. In the case of standing waves shifted by π/2, there are two types of solution, depending on the values of the frequency detuning. For instance, when the light waves are detuned equally we give the exact solution for arbitrary relationships between the detuning and the standing wave intensities valid for any atom-field interaction times. The case of 'mirror' detunings and shifted standing waves is studied only numerically

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

    Institute of Scientific and Technical Information of China (English)

    LIU Xiao-Juan; FANG Mao-Fa

    2004-01-01

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

  19. Sub-parts-per-quadrillion-level graphite furnace atomic absorption spectrophotometry based on laser wave mixing.

    Science.gov (United States)

    Mickadeit, Fritz K; Berniolles, Sandrine; Kemp, Helen R; Tong, William G

    2004-03-15

    Nonlinear laser wave mixing in a common graphite furnace atomizer is presented as a zeptomole-level, sub-Doppler, high-resolution atomic absorption spectrophotometric method. A nonplanar three-dimensional wave-mixing optical setup is used to generate the signal beam in its own space. Signal collection is efficient and convenient using a template-based optical alignment. The graphite furnace atomizer offers advantages including fast and convenient introduction of solid, liquid, or gas analytes, clean atomization environment, and minimum background noise. Taking advantage of the unique features of the wave-mixing optical method and those of the graphite furnace atomizer, one can obtain both excellent spectral resolution and detection sensitivity. A preliminary concentration detection limit of 0.07 parts-per-quadrillion and a preliminary mass detection limit of 0.7 ag or 8 zmol are determined for rubidium using a compact laser diode as the excitation source.

  20. Computer codes for simulating atomic-displacement cascades in solids subject to irradiation

    International Nuclear Information System (INIS)

    Asaoka, Takumi; Taji, Yukichi; Tsutsui, Tsuneo; Nakagawa, Masayuki; Nishida, Takahiko

    1979-03-01

    In order to study atomic displacement cascades originating from primary knock-on atoms in solids subject to incident radiation, the simulation code CASCADE/CLUSTER is adapted for use on FACOM/230-75 computer system. In addition, the code is modified so as to plot the defect patterns in crystalline solids. As other simulation code of the cascade process, MARLOWE is also available for use on the FACOM system. To deal with the thermal annealing of point defects produced in the cascade process, the code DAIQUIRI developed originally for body-centered cubic crystals is modified to be applicable also for face-centered cubic lattices. By combining CASCADE/CLUSTER and DAIQUIRI, we then prepared a computer code system CASCSRB to deal with heavy irradiation or saturation damage state of solids at normal temperature. Furthermore, a code system for the simulation of heavy irradiations CASCMARL is available, in which MARLOWE code is substituted for CASCADE in the CASCSRB system. (author)

  1. Factors influencing exemplary science teachers' levels of computer use

    Science.gov (United States)

    Hakverdi, Meral

    This study examines exemplary science teachers' use of technology in science instruction, factors influencing their level of computer use, their level of knowledge/skills in using specific computer applications for science instruction, their use of computer-related applications/tools during their instruction, and their students' use of computer applications/tools in or for their science class. After a relevant review of the literature certain variables were selected for analysis. These variables included personal self-efficacy in teaching with computers, outcome expectancy, pupil-control ideology, level of computer use, age, gender, teaching experience, personal computer use, professional computer use and science teachers' level of knowledge/skills in using specific computer applications for science instruction. The sample for this study includes middle and high school science teachers who received the Presidential Award for Excellence in Science Teaching Award (sponsored by the White House and the National Science Foundation) between the years 1997 and 2003 from all 50 states and U.S. territories. Award-winning science teachers were contacted about the survey via e-mail or letter with an enclosed return envelope. Of the 334 award-winning science teachers, usable responses were received from 92 science teachers, which made a response rate of 27.5%. Analysis of the survey responses indicated that exemplary science teachers have a variety of knowledge/skills in using computer related applications/tools. The most commonly used computer applications/tools are information retrieval via the Internet, presentation tools, online communication, digital cameras, and data collection probes. Results of the study revealed that students' use of technology in their science classroom is highly correlated with the frequency of their science teachers' use of computer applications/tools. The results of the multiple regression analysis revealed that personal self-efficacy related to

  2. A computational geometry framework for the optimisation of atom probe reconstructions

    Energy Technology Data Exchange (ETDEWEB)

    Felfer, Peter [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); Institute for General Materials Properties, Department of Materials Science, Friedrich-Alexander University Erlangen-Nürnberg, 91058 Erlangen (Germany); Cairney, Julie [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia)

    2016-10-15

    In this paper, we present pathways for improving the reconstruction of atom probe data on a coarse (>10 nm) scale, based on computational geometry. We introduce a way to iteratively improve an atom probe reconstruction by adjusting it, so that certain known shape criteria are fulfilled. This is achieved by creating an implicit approximation of the reconstruction through a barycentric coordinate transform. We demonstrate the application of these techniques to the compensation of trajectory aberrations and the iterative improvement of the reconstruction of a dataset containing a grain boundary. We also present a method for obtaining a hull of the dataset in both detector and reconstruction space. This maximises data utilisation, and can be used to compensate for ion trajectory aberrations caused by residual fields in the ion flight path through a ‘master curve’ and correct for overall shape deviations in the data. - Highlights: • An atom probe reconstruction can be iteratively improved by using shape constraints. • An atom probe reconstruction can be inverted using barycentric coordinate transforms. • Hulls for atom probe datasets can be obtained from 2D detector outlines that are co-reconstructed with the data. • Ion trajectory compressions caused by instrument-specific residual fields in the drift tube can be corrected.

  3. Dual cesium and rubidium atomic fountain with a 10-16 level accuracy and applications

    International Nuclear Information System (INIS)

    Chapelet, F.

    2008-05-01

    Atomic fountains are the most accomplished development of the atomic clocks based on the cesium atom whose hyperfine resonance defines the SI second since 1967. Today these systems are among those which realize the second with the best accuracy. We present the last developments of the cold cesium and rubidium atom dual fountain experiment at LNE-SYRTE. This unique dual setup would allow to obtain an outstanding resolution in fundamental physics tests based on atomic transition frequency comparisons. In order to enable operation with both atomic species simultaneously, we designed, tested and implemented on the fountain new collimators which combine the laser lights corresponding to each atom. By comparing our rubidium fountain to another cesium fountain over a decade, we performed a test of the stability of the fine structure constant at the level of 5 * 10 -16 per year. We carried on the work on the clock accuracy and we focused on the phase gradients effects in the interrogation cavity and on the microwave leakage. The fountain accuracy has been evaluated to 4 * 10 -16 for the cesium clock and to 5 * 10 -16 for the refurbished rubidium clock. As a powerful instrument of metrology, our fountain was implicated in many clock comparisons and contributed many times to calibrate the International Atomic Time. Furthermore, we used the fountain to perform a new test of Lorentz local invariance. (author)

  4. Computer programs in BASIC language for atomic absorption flame spectroscopy. Part 2. Documentation

    International Nuclear Information System (INIS)

    Boyle, W.G. Jr.

    1977-01-01

    There are three computer programs, written in the BASIC language, used for taking data from an atomic absorption spectrophotometer operating in the flame mode. The programs are divided into logical sections, and these have been flow-charted. The general features, the structure, the order of subroutines and functions, and the storage of data are discussed. In addition, variables are listed and defined, and a complete listing of each program with a symbol occurrence table is provided

  5. Behavior of Rydberg atoms at surfaces: energy level shifts and ionization

    Energy Technology Data Exchange (ETDEWEB)

    Dunning, F.B. E-mail: fbd@rice.edu; Dunham, H.R.; Oubre, C.; Nordlander, P

    2003-04-01

    The ionization of xenon atoms excited to the extreme red and blue states in high-lying Xe(n) Stark manifolds at a metal surface is investigated. The data show that, despite their very different initial spatial characteristics, the extreme members of a given Stark manifold ionize at similar atom/surface separations. This is explained, with the aid of complex scaling calculations, in terms of the strong perturbations in the energies and structure of the atomic states induced by the presence of the surface which lead to avoided crossings between neighboring levels as the surface is approached.

  6. Behavior of Rydberg atoms at surfaces: energy level shifts and ionization

    CERN Document Server

    Dunning, F B; Oubre, C D; Nordlander, P

    2003-01-01

    The ionization of xenon atoms excited to the extreme red and blue states in high-lying Xe(n) Stark manifolds at a metal surface is investigated. The data show that, despite their very different initial spatial characteristics, the extreme members of a given Stark manifold ionize at similar atom/surface separations. This is explained, with the aid of complex scaling calculations, in terms of the strong perturbations in the energies and structure of the atomic states induced by the presence of the surface which lead to avoided crossings between neighboring levels as the surface is approached.

  7. Multiconfiguration Hartree--Fock method for atomic energy levels and transition probabilities

    International Nuclear Information System (INIS)

    Fischer, C.F.

    1978-01-01

    The effect of correlation in the motion of electrons in a many-electron system is considered in the theoretical determination of atomic properties. The correlation effects are computed using the configuration interaction. Restriction is made to the discussion of outer processes of neutral atoms or ions of low degree of ionization in which the relativistic effects are small. The first-order theory, the 3p,3d state of Al II, correlation in the 3d/sup n/ shell, and f-values in the presence of cross-overs are discussed. 29 references

  8. Resonance properties of a three-level atom with quantized field modes

    International Nuclear Information System (INIS)

    Yoo, H.I.

    1984-01-01

    A system of one three-level atom and one or two quantized electro-magnetic field modes coupled to each other by the dipole interaction, with the rotating wave approximation is studied. All three atomic configurations, i.e., cascade Lambda- and V-types, are treated simultaneously. The system is treated as closed, i.e., no interaction with the external radiation field modes, to reveal the internal structures and symmetries in the system. The general dynamics of the system are investigated under several distinct initial conditions and their similarities and differences with the dynamics of the Jaynes-Cummings model are revealed. Also investigated is the possibility of so-called coherent trapping of the atom in the quantized field modes in a resonator. An atomic state of coherent trapping exists only for limited cases, and it generally requires the field to be in some special states, depending on the system. The discussion of coherent trapping is extended into a system of M identical three-level atoms. The stability of a coherent-trapping state when fluorescence can take place is discussed. The distinction between a system with resonator field modes and one with ideal laser modes is made clear, and the atomic relaxation to the coherent-trapping atomic state when a Lambda-type atom is irradiated by two ideal laser beams is studied. The experimental prospects to observe the collapse-revival phenomena in the atomic occupation probabilities, which is characteristic of a system with quantized resonator field modes is discussed

  9. 24 CFR 990.180 - Utilities expense level: Computation of the rolling base consumption level.

    Science.gov (United States)

    2010-04-01

    ...: Computation of the rolling base consumption level. 990.180 Section 990.180 Housing and Urban Development... Calculating Formula Expenses § 990.180 Utilities expense level: Computation of the rolling base consumption level. (a) General. (1) The rolling base consumption level (RBCL) shall be equal to the average of...

  10. 24 CFR 990.175 - Utilities expense level: Computation of the current consumption level.

    Science.gov (United States)

    2010-04-01

    ...: Computation of the current consumption level. 990.175 Section 990.175 Housing and Urban Development... Calculating Formula Expenses § 990.175 Utilities expense level: Computation of the current consumption level. The current consumption level shall be the actual amount of each utility consumed during the 12-month...

  11. Proposal for efficient two-dimensional atom localization using probe absorption in a microwave-driven four-level atomic system

    International Nuclear Information System (INIS)

    Ding Chunling; Li Jiahua; Yang Xiaoxue; Xiong Hao; Zhang Duo

    2011-01-01

    The behavior of two-dimensional (2D) atom localization is explored by monitoring the probe absorption in a microwave-driven four-level atomic medium under the action of two orthogonal standing-wave fields. Because of the position-dependent atom-field interaction, the information about the position of the atom can be obtained via the absorption measurement of the weak probe field. It is found that the localization behavior is significantly improved due to the joint quantum interference induced by the standing-wave and microwave-driven fields. Most importantly, the atom can be localized at a particular position and the maximal probability of finding the atom in one period of the standing-wave fields reaches unity by properly adjusting the system parameters. The proposed scheme may provide a promising way to achieve high-precision and high-resolution 2D atom localization.

  12. Comparison of atomic-level and coarse-grained models for liquid hydrocarbons from molecular dynamics configurational entropy estimates

    NARCIS (Netherlands)

    Baron, R; de Vries, AH; Hunenberger, PH; van Gunsteren, WF

    2006-01-01

    Molecular liquids can be modeled at different levels of spatial resolution. In atomic-level (AL) models, all (heavy) atoms can be explicitly simulated. In coarse-grained (CG) models, particles (beads) that represent groups of covalently bound atoms are used as elementary units. Ideally, a CG model

  13. Direct observation of atomic-level nucleation and growth processes from an ultrathin metallic glass films

    Energy Technology Data Exchange (ETDEWEB)

    Huang, K. Q.; Cao, C. R.; Sun, Y. T.; Li, J.; Bai, H. Y.; Zheng, D. N., E-mail: l.gu@iphy.ac.cn, E-mail: dzheng@iphy.ac.cn, E-mail: whw@iphy.ac.cn; Wang, W. H., E-mail: l.gu@iphy.ac.cn, E-mail: dzheng@iphy.ac.cn, E-mail: whw@iphy.ac.cn [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Gu, L., E-mail: l.gu@iphy.ac.cn, E-mail: dzheng@iphy.ac.cn, E-mail: whw@iphy.ac.cn [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100190 (China)

    2016-01-07

    Till date, there have been no direct atomic-level experimental observations of the earliest stages of the nucleation and growth processes of nanocrystals formed by thermally induced crystallization in ultrathin metallic glasses (MGs). Here, we present a study of the crystallization process in atomically thin and highly stable MG films using double spherical aberration-corrected scanning transmission electron microscopy (Cs-TEM). Taking advantage of the stability of MG films with a slow crystallization process and the atomic-level high resolution of Cs-TEM, we observe the formation of the nucleus precursor of nanocrystals formed by atom aggregation followed by concomitant coalescence and stepwise evolution of the shape of the nanocrystals with a monodispersed and separated bimodal size distribution. Molecular dynamics simulation of the atomic motion in the glass film on a rigid amorphous substrate confirms the stepwise evolution processes of atom aggregation, cluster formation, cluster movement on the substrate, and cluster coalescence into larger crystalline particles. Our results might provide a better fundamental understanding of the nucleation and growth processes of nanocrystals in thin MG films.

  14. Nonlinear Jaynes–Cummings model for two interacting two-level atoms

    International Nuclear Information System (INIS)

    Santos-Sánchez, O de los; González-Gutiérrez, C; Récamier, J

    2016-01-01

    In this work we examine a nonlinear version of the Jaynes–Cummings model for two identical two-level atoms allowing for Ising-like and dipole–dipole interplays between them. The model is said to be nonlinear in the sense that it can incorporate both a general intensity-dependent interaction between the atomic system and the cavity field and/or the presence of a nonlinear medium inside the cavity. As an example, we consider a particular type of atom-field coupling based upon the so-called Buck–Sukumar model and a lossless Kerr-like cavity. We describe the possible effects of such features on the evolution of some quantities of current interest, such as atomic excitation, purity, concurrence, the entropy of the field and the evolution of the latter in phase space. (paper)

  15. Modeling the Mechanical Properties of Functionalized Carbon Nanotubes and Their Composites: Design at the Atomic Level

    Directory of Open Access Journals (Sweden)

    Qing-Sheng Yang

    2014-01-01

    Full Text Available This investigation focuses on the design of functionalization configuration at the atomic level to determine the influence of atomic structure on the mechanical properties of functionalized carbon nanotubes (F-CNTs and their composites. Tension and compressive buckling behaviors of different configurations of CNTs functionalized by H atoms are studied by a molecular dynamics (MD method. It is shown that H-atom functionalization reduces Young’s modulus of CNTs, but Young’s modulus is not sensitive to the functionalization configuration. The configuration does, however, affect the tensile strength and critical buckling stress of CNTs. Further, the stress-strain relations of composites reinforced by nonfunctionalized and various functionalized CNTs are analyzed.

  16. Computer-simulated images of icosahedral, pentagonal and decagonal clusters of atoms

    International Nuclear Information System (INIS)

    Peng JuLin; Bursill, L.A.

    1989-01-01

    The aim of this work was to assess, by computer-simulation the sensitivity of high-resolution electron microscopy (HREM) images for a set of icosahedral and decagonal clusters, containing 50-400 atoms. An experimental study of both crystalline and quasy-crystalline alloys of A1(Si)Mn is presented, in which carefully-chosen electron optical conditions were established by computer simulation then used to obtain high quality images. It was concluded that while there is a very significant degree of model sensitiveness available, direct inversion from image to structure is not at realistic possibility. A reasonable procedure would be to record experimental images of known complex icosahedral alloys, in a crystalline phase, then use the computer-simulations to identify fingerprint imaging conditions whereby certain structural elements could be identified in images of quasi-crystalline or amorphous specimens. 27 refs., 12 figs., 1 tab

  17. Design Principles for the Atomic and Electronic Structure of Halide Perovskite Photovoltaic Materials: Insights from Computation.

    Science.gov (United States)

    Berger, Robert F

    2018-02-09

    In the current decade, perovskite solar cell research has emerged as a remarkably active, promising, and rapidly developing field. Alongside breakthroughs in synthesis and device engineering, halide perovskite photovoltaic materials have been the subject of predictive and explanatory computational work. In this Minireview, we focus on a subset of this computation: density functional theory (DFT)-based work highlighting the ways in which the electronic structure and band gap of this class of materials can be tuned via changes in atomic structure. We distill this body of computational literature into a set of underlying design principles for the band gap engineering of these materials, and rationalize these principles from the viewpoint of band-edge orbital character. We hope that this perspective provides guidance and insight toward the rational design and continued improvement of perovskite photovoltaics. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Requirements for fault-tolerant factoring on an atom-optics quantum computer.

    Science.gov (United States)

    Devitt, Simon J; Stephens, Ashley M; Munro, William J; Nemoto, Kae

    2013-01-01

    Quantum information processing and its associated technologies have reached a pivotal stage in their development, with many experiments having established the basic building blocks. Moving forward, the challenge is to scale up to larger machines capable of performing computational tasks not possible today. This raises questions that need to be urgently addressed, such as what resources these machines will consume and how large will they be. Here we estimate the resources required to execute Shor's factoring algorithm on an atom-optics quantum computer architecture. We determine the runtime and size of the computer as a function of the problem size and physical error rate. Our results suggest that once the physical error rate is low enough to allow quantum error correction, optimization to reduce resources and increase performance will come mostly from integrating algorithms and circuits within the error correction environment, rather than from improving the physical hardware.

  19. Photon echo with a few photons in two-level atoms

    International Nuclear Information System (INIS)

    Bonarota, M; Dajczgewand, J; Louchet-Chauvet, A; Le Gouët, J-L; Chanelière, T

    2014-01-01

    To store and retrieve signals at the single photon level, various photon echo schemes have resorted to complex preparation steps involving ancillary shelving states in multi-level atoms. For the first time, we experimentally demonstrate photon echo operation at such a low signal intensity without any preparation step, which allows us to work with mere two-level atoms. This simplified approach relies on the so-coined ‘revival of silenced echo’ (ROSE) scheme. Low noise conditions are obtained by returning the atoms to the ground state before the echo emission. In the present paper we manage ROSE in photon counting conditions, showing that very strong control fields can be compatible with extremely weak signals, making ROSE consistent with quantum memory requirements. (paper)

  20. Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

    Science.gov (United States)

    Wang, Xiao-Gang; Carrington, Tucker

    2018-02-01

    We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

  1. Coherent population transfer and superposition of atomic states via stimulated Raman adiabatic passage using an excited-doublet four-level atom

    International Nuclear Information System (INIS)

    Jin Shiqi; Gong Shangqing; Li Ruxin; Xu Zhizhan

    2004-01-01

    Coherent population transfer and superposition of atomic states via a technique of stimulated Raman adiabatic passage in an excited-doublet four-level atomic system have been analyzed. It is shown that the behavior of adiabatic passage in this system depends crucially on the detunings between the laser frequencies and the corresponding atomic transition frequencies. Particularly, if both the fields are tuned to the center of the two upper levels, the four-level system has two degenerate dark states, although one of them contains the contribution from the excited atomic states. The nonadiabatic coupling of the two degenerate dark states is intrinsic, it originates from the energy difference of the two upper levels. An arbitrary superposition of atomic states can be prepared due to such nonadiabatic coupling effect

  2. Simulating spontaneously generated coherence in a four-level atomic system

    International Nuclear Information System (INIS)

    Li Aijun; Gao Jinyue; Wu Jinhui; Wang Lei

    2005-01-01

    We study the spontaneous emission property of a four-level atomic system driven by two coherent fields. By numerical calculations in the bare state picture, we show that such interesting phenomena as extremely narrow peaks and spontaneous emission quenching can be realized, which are well understood by qualitative explanations in the partially and fully dressed state pictures. Especially, this coherently driven atomic system has two close-lying levels in the partially dressed state picture so that spontaneously generated coherence arises. Using our considered scheme it is feasible to carry out experiments based on spontaneously generated coherence because all rigorous requirements have been avoided in the bare state picture

  3. Atomic-level structures and physical properties of magnetic CoSiB metallic glasses

    International Nuclear Information System (INIS)

    Shan, Guangcun; Liang Zhang, Ji; Li, Jiong; Zhang, Shuo; Jiang, Zheng; Huang, Yuying; Shek, Chan-Hung

    2014-01-01

    Two CoSiB metallic glasses of low Co contents, which consist of different clusters, have recently been developed by addition of solute atoms. In this work, the atomic structure and the magnetic properties of the two CoBSi metallic glasses were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) computational techniques. Besides, the origin of these magnetic behaviors was discussed in view of the EXAFS results and atomic structures of the metallic glasses. - Graphical abstract: The atomic structure and the origins of the magnetic properties of two ternary CoBSi metallic glasses were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) techniques. - Highlights: • The atomic structure and the origins of the magnetic properties of two ternary CoBSi metallic glasses were revealed. • The atomic structures were elucidated by state-of-the-art extended X-ray absorption fine structure spectroscopy (EXAFS) combining with ab initio molecular-dynamics (AIMD) techniques. • The experimental spectra were in good agreement with the predictions of ab initio full multiple scattering theory using the FEFF8.4 code. • The origin of these magnetic behaviors was discussed in view of the EXAFS results and atomic structures of the metallic glasses. • These two metallic glasses consist of different clusters, and hence different magnetic properties, which are dominated by short-range orders (SROs)

  4. Development of selective photoionization spectroscopy technology - Development of a computer program to calculate selective ionization of atoms with multistep processes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young Soon; Nam, Baek Il [Myongji University, Seoul (Korea, Republic of)

    1995-08-01

    We have developed computer programs to calculate 2-and 3-step selective resonant multiphoton ionization of atoms. Autoionization resonances in the final continuum can be put into account via B-Spline basis set method. 8 refs., 5 figs. (author)

  5. Energy Levels and Spectral Lines of Li Atoms in White Dwarf Strength Magnetic Fields

    Science.gov (United States)

    Zhao, L. B.

    2018-04-01

    A theoretical approach based on B-splines has been developed to calculate atomic structures and discrete spectra of Li atoms in a strong magnetic field typical of magnetic white dwarf stars. Energy levels are presented for 20 electronic states with the symmetries 20+, 20‑, 2(‑1)+, 2(‑1)‑, and 2(‑2)+. The magnetic field strengths involved range from 0 to 2350 MG. The wavelengths and oscillator strengths for the electric dipole transitions relevant to these magnetized atomic states are reported. The current results are compared to the limited theoretical data in the literature. A good agreement has been found for the lower energy levels, but a significant discrepancy is clearly visible for the higher energy levels. The existing discrepancies of the wavelengths and oscillator strengths are also discussed. Our investigation shows that the spectrum data of magnetized Li atoms previously published are obviously far from meeting requirements of analyzing discrete atomic spectra of magnetic white dwarfs with lithium atmospheres.

  6. 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

  7. A moving three-level Λ-type atom in a dissipative cavity

    Science.gov (United States)

    Obada, Abdel-Shafy F.; Ahmed, Mohamed M. A.; Farouk, Ahmed M.; Salah, Ahmed

    2017-12-01

    In this paper, we consider a three-level Λ-type atom interacting with a two-mode of electromagnetic cavity field surrounded by a nonlinear Kerr-like medium, the atom and the field are suffering decay rates (i.e. the cavity is not ideal) when the multi-photon processes is considered. Also, the atom and the field are assumed to be coupled with a modulated time-dependent coupling parameter under the rotating wave approximation. The wave function and the probability amplitudes are obtained, when the atom initially prepared in the superposition states and the field initially in the coherent states, by solving the time-dependent Schrödinger equation by taking a proper approximation to the system of differential equations. An analytical expression of the atomic reduced density operator is given. We studied the degree of entanglement, between the field and atom, measure (DEM) via the concurrence, Shannon information entropy, momentum increment and diffusion, and finally we investigated the effects of decay rates and the time-dependent parameters on Husimi Q-function.

  8. Magneto-optical transmission-reflection beam splitter for multi-level atoms

    International Nuclear Information System (INIS)

    Murphy, J.E.; Goodman, P.; Sidorov, A.I.

    1994-01-01

    An atomic de Broglie wave beam splitter is proposed. The interaction of multi-level atoms (J g = 1 - J e = 0) with a laser beam in the presence of a static magnetic field leads to the partial transmission and reflection of the atomic beam. The coherent splitting of the atomic beam occurs due to non-adiabatic transitions between different dressed states in the vicinity of avoided crossings. The transition probabilities and populations of split beams are dependent on the value of the magnetic field, laser detuning, and the ratio between different polarization components in the laser beam. For optimal conditions the population of each of the two transmitted and two reflected beams is 25 per cent. For cooled atoms it is possible to obtain splitting angles of 80 mrad. The effect of spontaneous emission during the atom-light interaction was estimated and for a reasonable detuning losses were reduced to less than 10 per cent. 14 refs., 1 tab., 6 figs

  9. Absorption spectrum of a V-type three-level atom driven by a coherent field

    International Nuclear Information System (INIS)

    Dong Po; Tang, S.H.

    2002-01-01

    We examine the absorption of a weak probe beam by a laser driven V-type atom with a pair of closely lying excited levels, where both the driving and probe lasers interact simultaneously with the two transitions. The effects of quantum interference among decay channels on the absorption spectra are also investigated. We introduce dipole moments in the dressed-state representation and the Hamiltonian in terms of the dressed states describing the interaction between the probe and the atom. In the degenerate case, features similar to that of a driven two-level atomic system are found due to some dark transitions in the spontaneous emission and the fact that the probe beam only detects certain transitions. In the nondegenerate case, the absorption spectrum is strongly influenced by the degree of quantum interference, resulting in different line shapes for emission peaks, absorption peaks, and dispersionlike profiles. The effect of probe polarization on the absorption spectrum is also investigated

  10. Comparing two iteration algorithms of Broyden electron density mixing through an atomic electronic structure computation

    International Nuclear Information System (INIS)

    Zhang Man-Hong

    2016-01-01

    By performing the electronic structure computation of a Si atom, we compare two iteration algorithms of Broyden electron density mixing in the literature. One was proposed by Johnson and implemented in the well-known VASP code. The other was given by Eyert. We solve the Kohn-Sham equation by using a conventional outward/inward integration of the differential equation and then connect two parts of solutions at the classical turning points, which is different from the method of the matrix eigenvalue solution as used in the VASP code. Compared to Johnson’s algorithm, the one proposed by Eyert needs fewer total iteration numbers. (paper)

  11. Low-lying nuclear levels and radiative transitions in hadronic atoms

    International Nuclear Information System (INIS)

    Popov, V.S.; Kudryavtsev, A.E.; Lisin, V.I.; Mur, V.D.

    1985-01-01

    The analytic theory of nuclear level shifts permit the position of the nuclear level perturbing the Coulomb spectrum to be calculated on the basis of the magnitude of the level shift of a hadron atom. As an example the K -4 He atom is discussed. The experimental data on the 2p-level shift indicate that a weakly bound p-state with a binding energy and width epsilon approximately γ approximately 0.5 MeV may exist in the system. The probabilities for radiative transitions to this level and the cross section for its creation in a nuclear reaction with 6 Li are calculated. The possible existence of weakly coupled K - and anti p states for other light nuclei is discussed. An exact solution of the model Coulomb problem with short range interaction is obtained and this permits the limits of validity of the initial approximations to be determined

  12. Protecting quantum coherence of two-level atoms from vacuum fluctuations of electromagnetic field

    International Nuclear Information System (INIS)

    Liu, Xiaobao; Tian, Zehua; Wang, Jieci; Jing, Jiliang

    2016-01-01

    In the framework of open quantum systems, we study the dynamics of a static polarizable two-level atom interacting with a bath of fluctuating vacuum electromagnetic field and explore under which conditions the coherence of the open quantum system is unaffected by the environment. For both a single-qubit and two-qubit systems, we find that the quantum coherence cannot be protected from noise when the atom interacts with a non-boundary electromagnetic field. However, with the presence of a boundary, the dynamical conditions for the insusceptible of quantum coherence are fulfilled only when the atom is close to the boundary and is transversely polarizable. Otherwise, the quantum coherence can only be protected in some degree in other polarizable direction. -- Highlights: •We study the dynamics of a two-level atom interacting with a bath of fluctuating vacuum electromagnetic field. •For both a single and two-qubit systems, the quantum coherence cannot be protected from noise without a boundary. •The insusceptible of the quantum coherence can be fulfilled only when the atom is close to the boundary and is transversely polarizable. •Otherwise, the quantum coherence can only be protected in some degree in other polarizable direction.

  13. Atomic switch networks-nanoarchitectonic design of a complex system for natural computing.

    Science.gov (United States)

    Demis, E C; Aguilera, R; Sillin, H O; Scharnhorst, K; Sandouk, E J; Aono, M; Stieg, A Z; Gimzewski, J K

    2015-05-22

    Self-organized complex systems are ubiquitous in nature, and the structural complexity of these natural systems can be used as a model to design new classes of functional nanotechnology based on highly interconnected networks of interacting units. Conventional fabrication methods for electronic computing devices are subject to known scaling limits, confining the diversity of possible architectures. This work explores methods of fabricating a self-organized complex device known as an atomic switch network and discusses its potential utility in computing. Through a merger of top-down and bottom-up techniques guided by mathematical and nanoarchitectonic design principles, we have produced functional devices comprising nanoscale elements whose intrinsic nonlinear dynamics and memorization capabilities produce robust patterns of distributed activity and a capacity for nonlinear transformation of input signals when configured in the appropriate network architecture. Their operational characteristics represent a unique potential for hardware implementation of natural computation, specifically in the area of reservoir computing-a burgeoning field that investigates the computational aptitude of complex biologically inspired systems.

  14. Polynomial pseudosupersymmetry underlying a two-level atom in an external electromagnetic field

    International Nuclear Information System (INIS)

    Samsonov, B.F.; Shamshutdinova, V.V.; Gitman, D.M.

    2005-01-01

    Chains of transformations introduced previously were studied in order to obtain electric fields with a time-dependent frequency for which the equation of motion of a two-level atom in the presence of these fields can be solved exactly. It is shown that a polynomial pseudosupersymmetry may be associated to such chains

  15. Dynamic evolution of double five-level atom interacting with one ...

    Indian Academy of Sciences (India)

    N H Abdel-Wahab

    2017-11-23

    Nov 23, 2017 ... carried out using the Quantum Toolbox in Python (QuTip). Keywords. Five-level atom .... k = l and zero otherwise), ˆa†(ˆa) is the creation (extinc- tion) operator with the ... It is obvious that the first two terms of the Hamiltonian.

  16. Random model of two-level atoms interacting with electromagnetic field

    International Nuclear Information System (INIS)

    Kireev, A.N.; Meleshko, A.N.

    1983-12-01

    A phase transition has been studied in a random system of two-level atoms interacting with an electromagnetic field. It is shown that superradiation can arise when there is short-range order in a spin-subsystem. The existence of long-range order is irrelevant for this phase transition

  17. Observation of new levels for isotope separation in atomic uranium by multistep ionization

    International Nuclear Information System (INIS)

    Carlson, L.R.; Solarz, R.W.; Paisne, J.A.; Worden, E.F.; May, C.A.; Johnson, S.A.

    1975-01-01

    Over 100 new odd parity levels useful for isotope separation of U(I) were observed between 32,660--34,165 cm -1 using multistep photoionization. A tabulation of typical cross sections and radiative lifetimes for these states is given. The extension of this technique to mapping the spectra of other heavy atoms is discussed

  18. Collective effects, relaxation and localization of hole levels in atoms, molecules, solids, and adsorbates

    International Nuclear Information System (INIS)

    Wendin, G.

    1979-01-01

    Recent progress in descriptions of photoelectron spectra is reviewed with emphasis on cases where the one-electron and quasi-particle approximations break down and the hole level becomes spread over a number of discrete lines or a continuum or both. Unifying aspects and similarities between interaction processes in atoms, molecules and solids are stressed. 38 references

  19. Resonance fluorescence spectra of a three-level atom driven by two strong laser fields

    International Nuclear Information System (INIS)

    Peng Jinsheng.

    1986-12-01

    The resonance fluorescence of a three-level atom interacted with two high-power laser fields is investigated in strong field approximation. The fluorescence distribution is obtained by means of the theory of dressing transformation. (author). 15 refs, 2 figs

  20. Atomic-level molybdenum oxide nanorings with full-spectrum absorption and photoresponsive properties.

    Science.gov (United States)

    Yang, Yong; Yang, Yang; Chen, Shuangming; Lu, Qichen; Song, Li; Wei, Yen; Wang, Xun

    2017-11-16

    Superthin nanostructures, particularly with atomic-level thicknesses, typically display unique optical properties because of their exceptional light-matter interactions. Here, we report a facile strategy for the synthesis of sulfur-doped molybdenum oxide nanorings with an atomic-level size (thickness of 0.5 nm) and a tunable ring-in-ring architecture. These atomic-level nanorings displayed strong photo-absorption in both the visible and infrared-light ranges and acted as a photothermal agent. Under irradiation with an 808 nm laser with an intensity of 1 W/cm 2 , a composite of the nanorings embedded in polydimethylsiloxane showed an ultrafast photothermal effect, delivering a local temperature of up to 400 °C within 20 s, which to the best of our knowledge is the highest temperature by light irradiation reported to date. Meanwhile, the resulting nanorings were also employed as a photoinitiator to remotely induce a visible-light shape memory response, self-healing, reshaping performance and reversible actuation of dynamic three-dimensional structures. This study demonstrates an advancement towards controlling atomic-level-sized nanostructures and achieving greatly enhanced optical performances for optoelectronics.

  1. Computer simulations of atomic collisions in solids with special emphasis on sputtering

    International Nuclear Information System (INIS)

    Andersen, H.H.

    1986-01-01

    Computer simulations of atomic collisions in solids are traditionally divided into fully interacting or molecular dynamics (MD) simulations on the one side and simulations based on the binary collision approximation (BCA) on the other. The historical development of both branches is followed and other dichotomies viz. between static and dynamic target models and between models using crystalline and amorphous targets are introduced. The influence of the main input parameters, viz. interatomic potentials, surface- and bulk-binding energies and inelasticity is discussed before selected results are treated. Here, results for non-linear effects, clusters, fluctuations and for angular distributions are presented. The review is concluded with a discussion of the influence of computer developments on future simulations. With 392 refs

  2. LID: Computer code for identifying atomic and ionic lines below 3500 Angstroms

    International Nuclear Information System (INIS)

    Peek, J.M.; Dukart, R.J.

    1987-08-01

    An interactive computer code has been written to search a data base containing information useful for identifying lines in experimentally-observed spectra or for designing experiments. The data base was the basis for the Kelly and Palumbo critical review of well-resolved lines below 2000 Angstroms, includes lines below 3500 Angstroms for atoms and ions of hydrogen through krypton, and was obtained from R.L. Kelly. This code allows the user to search the data base for a user-specified wavelength region, with this search either limited to atoms or ions of the user's choice for all atoms and ions contained in the data base. The line information found in the search is stored in a local file for later reference. A plotting capability is provided to graphically display the lines resulting from the search. Several options are available to control the nature of these graphs. It is also possible to bring in data from another source, such as an experimental spectra, for display along with the lines from the data-base search. Options for manipulating the experimental spectra's background intensity and wavelength scale are also available to the user. The intensities for the lines from each ion found in the data-base search can be scaled by a multiplicative constant to better simulate the observed spectrum

  3. Applying computational geometry techniques for advanced feature analysis in atom probe data

    International Nuclear Information System (INIS)

    Felfer, Peter; Ceguerra, Anna; Ringer, Simon; Cairney, Julie

    2013-01-01

    In this paper we present new methods for feature analysis in atom probe tomography data that have useful applications in materials characterisation. The analysis works on the principle of Voronoi subvolumes and piecewise linear approximations, and feature delineation based on the distance to the centre of mass of a subvolume (DCOM). Based on the coordinate systems defined by these approximations, two examples are shown of the new types of analyses that can be performed. The first is the analysis of line-like-objects (i.e. dislocations) using both proxigrams and line-excess plots. The second is interfacial excess mapping of an InGaAs quantum dot. - Highlights: • Computational geometry is used to detect and analyse features within atom probe data. • Limitations of conventional feature detection are overcome by using atomic density gradients. • 0D, 1D, 2D and 3D features can be analysed by using Voronoi tessellation for spatial binning. • New, robust analysis methods are demonstrated, including line and interfacial excess mapping

  4. A Model of Computation for Bit-Level Concurrent Computing and Programming: APEC

    Science.gov (United States)

    Ajiro, Takashi; Tsuchida, Kensei

    A concurrent model of computation and a language based on the model for bit-level operation are useful for developing asynchronous and concurrent programs compositionally, which frequently use bit-level operations. Some examples are programs for video games, hardware emulation (including virtual machines), and signal processing. However, few models and languages are optimized and oriented to bit-level concurrent computation. We previously developed a visual programming language called A-BITS for bit-level concurrent programming. The language is based on a dataflow-like model that computes using processes that provide serial bit-level operations and FIFO buffers connected to them. It can express bit-level computation naturally and develop compositionally. We then devised a concurrent computation model called APEC (Asynchronous Program Elements Connection) for bit-level concurrent computation. This model enables precise and formal expression of the process of computation, and a notion of primitive program elements for controlling and operating can be expressed synthetically. Specifically, the model is based on a notion of uniform primitive processes, called primitives, that have three terminals and four ordered rules at most, as well as on bidirectional communication using vehicles called carriers. A new notion is that a carrier moving between two terminals can briefly express some kinds of computation such as synchronization and bidirectional communication. The model's properties make it most applicable to bit-level computation compositionally, since the uniform computation elements are enough to develop components that have practical functionality. Through future application of the model, our research may enable further research on a base model of fine-grain parallel computer architecture, since the model is suitable for expressing massive concurrency by a network of primitives.

  5. Comparison of void strengthening in fcc and bcc metals: Large-scale atomic-level modelling

    International Nuclear Information System (INIS)

    Osetsky, Yu.N.; Bacon, D.J.

    2005-01-01

    Strengthening due to voids can be a significant radiation effect in metals. Treatment of this by elasticity theory of dislocations is difficult when atomic structure of the obstacle and dislocation is influential. In this paper, we report results of large-scale atomic-level modelling of edge dislocation-void interaction in fcc (copper) and bcc (iron) metals. Voids of up to 5 nm diameter were studied over the temperature range from 0 to 600 K. We demonstrate that atomistic modelling is able to reveal important effects, which are beyond the continuum approach. Some arise from features of the dislocation core and crystal structure, others involve dislocation climb and temperature effects

  6. Inversionless superradiance of an ensemble of three-level atoms in a high-Q cavity

    International Nuclear Information System (INIS)

    Zaitsev, A.I.; Ryzhov, I.V.; Trifonov, E.D.; Malyshev, V.A.

    1999-01-01

    We analyze the possibility of superradiance in an ensemble of three-level atoms in the absence of population inversion. We show that in the case of a Λ configuration of the active transitions this effect can occur for an initially coherent superposition of the states of the lower doublet. We also study how splitting of the lower levels influences this effect and discuss ways of creating low-frequency coherence

  7. Entanglement for a Bimodal Cavity Field Interacting with a Two-Level Atom

    International Nuclear Information System (INIS)

    Liu Jia; Chen Ziyu; Bu Shenping; Zhang Guofeng

    2009-01-01

    Negativity has been adopted to investigate the entanglement in a system composed of a two-level atom and a two-mode cavity field. Effects of Kerr-like medium and the number of photon inside the cavity on the entanglement are studied. Our results show that atomic initial state must be superposed, so that the two cavity field modes can be entangled. Moreover, we also conclude that the number of photon in the two cavity mode should be equal. The interaction between modes, namely, the Kerr effect, has a significant negative contribution. Note that the atom frequency and the cavity frequency have an indistinguishable effect, so a corresponding approximation has been made in this article. These results may be useful for quantum information in optics systems.

  8. Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

    International Nuclear Information System (INIS)

    Belianinov, Alex; Ganesh, Panchapakesan; Lin, Wenzhi; Jesse, Stephen; Pan, Minghu; Kalinin, Sergei V.; Sales, Brian C.; Sefat, Athena S.

    2014-01-01

    Atomic level spatial variability of electronic structure in Fe-based superconductor FeTe 0.55 Se 0.45 (T c = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe 1−x Se x structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signature and differentiated by their local chemical environment. This approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces

  9. Levels of parathyroid hormone and calcitonin in serum among atomic bomb survivors

    International Nuclear Information System (INIS)

    Fujiwara, Saeko; Yokoyama, Naokata; Sasaki, Hideo; Kodama, Kazunori; Sposto, R.; Shimaoka, Katsutaro; Shiraki, Mastaka

    1994-01-01

    To examines the potential causes of increased levels of calcium in serum with increasing dose of atomic bomb radiation, which was obtained from the previous preliminary analysis, levels of parathyroid hormone (PTH) and calcitonin in serum were examined among 1459 subjects in Hiroshima and Nagasaki. A significant effect of radiation on levels of calcium, PTH and calcitonin in serum was found, even after patients with hyperparathyroidism were excluded. The level of calcium in serum increased with radiation dose; this can be explained partly by the increase in the level of PTH with radiation dose. However, the dose effect on calcium remained even after adjustment for PTH, calcitonin and confounding factors such as renal function, serum albumin level and medication. Parathyroid hormone increased initially by 6.8% per gray, but the dose response leveled off after about 1 Gy. The level of calcitonin increased with radiation dose, probably in part due to feedback mechanisms stimulated by the increase in calcium. However, after adjustment for the level of calcium, the increase in the level of calcitonin with dose was still found. Although the etiological mechanisms of the effect of radiation on serum levels of calcium, PTH and calcitonin are unclear, radiation exposure may affect secretion of PTH and calcitonin and regulation of calcium a long time after atomic bomb exposure. 21 refs., 3 figs., 6 tabs

  10. Entanglement Criteria of Two Two-Level Atoms Interacting with Two Coupled Modes

    Science.gov (United States)

    Baghshahi, Hamid Reza; Tavassoly, Mohammad Kazem; Faghihi, Mohammad Javad

    2015-08-01

    In this paper, we study the interaction between two two-level atoms and two coupled modes of a quantized radiation field in the form of parametric frequency converter injecting within an optical cavity enclosed by a medium with Kerr nonlinearity. It is demonstrated that, by applying the Bogoliubov-Valatin canonical transformation, the introduced model is reduced to a well-known form of the generalized Jaynes-Cummings model. Then, under particular initial conditions for the atoms (in a coherent superposition of its ground and upper states) and the fields (in a standard coherent state) which may be prepared, the time evolution of state vector of the entire system is analytically evaluated. In order to understand the degree of entanglement between subsystems (atom-field and atom-atom), the dynamics of entanglement through different measures, namely, von Neumann reduced entropy, concurrence and negativity is evaluated. In each case, the effects of Kerr nonlinearity and detuning parameter on the above measures are numerically analyzed, in detail. It is illustrated that the amount of entanglement can be tuned by choosing the evolved parameters, appropriately.

  11. The algorithmic level is the bridge between computation and brain.

    Science.gov (United States)

    Love, Bradley C

    2015-04-01

    Every scientist chooses a preferred level of analysis and this choice shapes the research program, even determining what counts as evidence. This contribution revisits Marr's (1982) three levels of analysis (implementation, algorithmic, and computational) and evaluates the prospect of making progress at each individual level. After reviewing limitations of theorizing within a level, two strategies for integration across levels are considered. One is top-down in that it attempts to build a bridge from the computational to algorithmic level. Limitations of this approach include insufficient theoretical constraint at the computation level to provide a foundation for integration, and that people are suboptimal for reasons other than capacity limitations. Instead, an inside-out approach is forwarded in which all three levels of analysis are integrated via the algorithmic level. This approach maximally leverages mutual data constraints at all levels. For example, algorithmic models can be used to interpret brain imaging data, and brain imaging data can be used to select among competing models. Examples of this approach to integration are provided. This merging of levels raises questions about the relevance of Marr's tripartite view. Copyright © 2015 Cognitive Science Society, Inc.

  12. Materials-by-design: computation, synthesis, and characterization from atoms to structures

    Science.gov (United States)

    Yeo, Jingjie; Jung, Gang Seob; Martín-Martínez, Francisco J.; Ling, Shengjie; Gu, Grace X.; Qin, Zhao; Buehler, Markus J.

    2018-05-01

    In the 50 years that succeeded Richard Feynman’s exposition of the idea that there is ‘plenty of room at the bottom’ for manipulating individual atoms for the synthesis and manufacturing processing of materials, the materials-by-design paradigm is being developed gradually through synergistic integration of experimental material synthesis and characterization with predictive computational modeling and optimization. This paper reviews how this paradigm creates the possibility to develop materials according to specific, rational designs from the molecular to the macroscopic scale. We discuss promising techniques in experimental small-scale material synthesis and large-scale fabrication methods to manipulate atomistic or macroscale structures, which can be designed by computational modeling. These include recombinant protein technology to produce peptides and proteins with tailored sequences encoded by recombinant DNA, self-assembly processes induced by conformational transition of proteins, additive manufacturing for designing complex structures, and qualitative and quantitative characterization of materials at different length scales. We describe important material characterization techniques using numerous methods of spectroscopy and microscopy. We detail numerous multi-scale computational modeling techniques that complements these experimental techniques: DFT at the atomistic scale; fully atomistic and coarse-grain molecular dynamics at the molecular to mesoscale; continuum modeling at the macroscale. Additionally, we present case studies that utilize experimental and computational approaches in an integrated manner to broaden our understanding of the properties of two-dimensional materials and materials based on silk and silk-elastin-like proteins.

  13. TimeSet: A computer program that accesses five atomic time services on two continents

    Science.gov (United States)

    Petrakis, P. L.

    1993-01-01

    TimeSet is a shareware program for accessing digital time services by telephone. At its initial release, it was capable of capturing time signals only from the U.S. Naval Observatory to set a computer's clock. Later the ability to synchronize with the National Institute of Standards and Technology was added. Now, in Version 7.10, TimeSet is able to access three additional telephone time services in Europe - in Sweden, Austria, and Italy - making a total of five official services addressable by the program. A companion program, TimeGen, allows yet another source of telephone time data strings for callers equipped with TimeSet version 7.10. TimeGen synthesizes UTC time data strings in the Naval Observatory's format from an accurately set and maintained DOS computer clock, and transmits them to callers. This allows an unlimited number of 'freelance' time generating stations to be created. Timesetting from TimeGen is made feasible by the advent of Becker's RighTime, a shareware program that learns the drift characteristics of a computer's clock and continuously applies a correction to keep it accurate, and also brings .01 second resolution to the DOS clock. With clock regulation by RighTime and periodic update calls by the TimeGen station to an official time source via TimeSet, TimeGen offers the same degree of accuracy within the resolution of the computer clock as any official atomic time source.

  14. Atomic switch networks—nanoarchitectonic design of a complex system for natural computing

    International Nuclear Information System (INIS)

    Demis, E C; Aguilera, R; Sillin, H O; Scharnhorst, K; Sandouk, E J; Gimzewski, J K; Aono, M; Stieg, A Z

    2015-01-01

    Self-organized complex systems are ubiquitous in nature, and the structural complexity of these natural systems can be used as a model to design new classes of functional nanotechnology based on highly interconnected networks of interacting units. Conventional fabrication methods for electronic computing devices are subject to known scaling limits, confining the diversity of possible architectures. This work explores methods of fabricating a self-organized complex device known as an atomic switch network and discusses its potential utility in computing. Through a merger of top-down and bottom-up techniques guided by mathematical and nanoarchitectonic design principles, we have produced functional devices comprising nanoscale elements whose intrinsic nonlinear dynamics and memorization capabilities produce robust patterns of distributed activity and a capacity for nonlinear transformation of input signals when configured in the appropriate network architecture. Their operational characteristics represent a unique potential for hardware implementation of natural computation, specifically in the area of reservoir computing—a burgeoning field that investigates the computational aptitude of complex biologically inspired systems. (paper)

  15. Inter-level relations in computer science, biology, and psychology

    NARCIS (Netherlands)

    Boogerd, F.; Bruggeman, F.; Jonker, C.M.; Looren de Jong, H.; Tamminga, A.; Treur, J.; Westerhoff, H.V.; Wijngaards, W.C.A.

    2002-01-01

    Investigations into inter-level relations in computer science, biology and psychology call for an empirical turn in the philosophy of mind. Rather than concentrate on a priori discussions of inter-level relations between 'completed' sciences, a case is made for the actual study of the way

  16. Inter-level relations in computer science, biology and psychology

    NARCIS (Netherlands)

    Boogerd, F.C.; Bruggeman, F.J.; Jonker, C.M.; Looren De Jong, H.; Tamminga, A.M.; Treur, J.; Westerhoff, H.V.; Wijngaards, W.C.A.

    2002-01-01

    Investigations into inter-level relations in computer science, biology and psychology call for an empirical turn in the philosophy of mind. Rather than concentrate on a priori discussions of inter-level relations between "completed" sciences, a case is made for the actual study of the way

  17. Logic as Marr's computational level: Four case studies

    NARCIS (Netherlands)

    Baggio, G.; Lambalgen, M. van; Hagoort, P.

    2015-01-01

    We sketch four applications of Marr's levels-of-analysis methodology to the relations between logic and experimental data in the cognitive neuroscience of language and reasoning. The first part of the paper illustrates the explanatory power of computational level theories based on logic. We show

  18. Inter-level relations in computer science, biology, and psychology

    NARCIS (Netherlands)

    Boogerd, Fred; Bruggeman, Frank; Jonker, Catholijn; Looren de Jong, Huib; Tamminga, Allard; Treur, Jan; Westerhoff, Hans; Wijngaards, Wouter

    2002-01-01

    Investigations into inter-level relations in computer science, biology and psychology call for an *empirical* turn in the philosophy of mind. Rather than concentrate on *a priori* discussions of inter-level relations between “completed” sciences, a case is made for the actual study of the way

  19. Resonance fluorescence spectra of three-level atoms in a squeezed vacuum

    International Nuclear Information System (INIS)

    Ferguson, M.R.; Ficek, Z.; Dalton, B.J.

    1996-01-01

    The fluorescence field from one of the two allowed transitions in a three-level atom can sense squeezed fluctuations of a vacuum field coupled to the other transition. We examine the fluorescence spectra of strongly driven three-level atoms in Λ, V, and cascade configurations in which one of the two one-photon transitions is coupled to a finite-bandwidth squeezed vacuum field, when the bandwidth is much smaller than the difference in the atomic transition frequencies, though much larger than atomic decay rates and Rabi frequencies of the driving fields. The driving fields are on one-photon resonance, and the squeezed vacuum field is generated by a degenerate parameter oscillator. Details are only given for the Λ configuration. The extension to the V and cascade configurations is straightforward. We find that in all configurations the fluorescence spectra of the transition not coupled to the squeezed vacuum field are composed of five lines, one central and two pairs of sidebands, with intensities and widths strongly influenced by the squeezed vacuum field. However, only the central component and the outer sidebands exhibit a dependence on the squeezing phase. We also examine the fluorescence spectrum for the cascade configuration with a squeezed vacuum field on resonance with the two-photon transition between the ground and the most excited states and now generated by a nondegenerate parametric oscillator. In this case, where the squeezed vacuum field can be made coupled to both transitions, all spectral lines depend on the squeezing phase. The spectral features are explained in terms of the dressed-atom model of the system. We show that the coherent mixing of the atomic states by the strong driving fields modifies transition rates between the dressed states, which results in the selective phase dependence of the spectral features. copyright 1996 The American Physical Society

  20. Interference spectra induced by a bichromatic field in the excited state of a three-level atom

    International Nuclear Information System (INIS)

    Mavroyannis, C.

    1998-01-01

    The interference spectra for the excited state of a three-level atom have been considered, where the strong and the weak atomic transitions leading to an electric dipole allowed excited state and to a metastable excited state are driven by resonant and nonresonant laser fields, respectively. In the low intensity limit of the strong laser field, there are two short lifetime excitations, the spontaneous one described by the weak signal field and the one induced by the strong laser field, both of which appear at the same frequency, and a long lifetime excitation induced by the weak laser field. The maximum intensities (heights) of the two peaks describing the short lifetime excitations take equal positive and negative values and, therefore, cancel each other out completely, while the long lifetime excitation dominates. This indicates the disappearance of the short lifetime excitations describing the strong atomic transition for a period equal to the lifetime of the long lifetime excitation, which is roughly equal to half of the lifetime of the metastable state. The computed spectra have been graphically presented and discussed at resonance and for finite detunings. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

  1. Computational efficiency improvement with Wigner rotation technique in studying atoms in intense few-cycle circularly polarized pulses

    International Nuclear Information System (INIS)

    Yuan, Minghu; Feng, Liqiang; Lü, Rui; Chu, Tianshu

    2014-01-01

    We show that by introducing Wigner rotation technique into the solution of time-dependent Schrödinger equation in length gauge, computational efficiency can be greatly improved in describing atoms in intense few-cycle circularly polarized laser pulses. The methodology with Wigner rotation technique underlying our openMP parallel computational code for circularly polarized laser pulses is described. Results of test calculations to investigate the scaling property of the computational code with the number of the electronic angular basis function l as well as the strong field phenomena are presented and discussed for the hydrogen atom

  2. Hyperfine structure of the odd parity level system in the terbium atom

    International Nuclear Information System (INIS)

    Stefanska, D; Furmann, B

    2017-01-01

    Within this work new experimental results concerning the hyperfine structure ( hfs ) in the terbium atom are presented, concerning the odd parity levels system, hitherto only scarcely investigated (apart from the ground term). hfs constants A and B for 113 levels were determined for the first time, and for another 16 levels, which already occurred in our earlier works, supplementary results were obtained; additionally, our earlier results for 93 levels were compiled. The hfs of the odd parity levels was investigated using the method of laser induced fluorescence in a hollow cathode discharge. The hfs of 165 spectral lines, where the levels in question were involved as the upper levels, was recorded. Literature values of hfs constants of the even-parity lower levels (including our own earlier results) greatly facilitated the present data evaluation. (paper)

  3. Effect of atomic-state coherence and spontaneous emission on three-level dynamics

    International Nuclear Information System (INIS)

    Cardimona, D.A.

    1990-01-01

    For a three-level atom in the ssV configuration (i.e., having two excited states each dipole-coupled to a common ground state), we have found a particular linear combination of bare-atom states in which Rabi oscillations and their associated collapses and revivals do not occur. Moving to a dressed-state picture, we discover that this particular linear combination state is just that dressed state which is decoupled from all the field modes. It is a dressed state for which the transition dipole moments with the other dressed states are zero. The existence of this decoupled dressed state depends on the tuning of the dressing laser field, which in turn depends on the bare-atom excited-state dipole moments and energy-level separation. When we include spontaneous emission, the population decays from the other dressed states into this decoupled state and remains coherently trapped there, producing a system that experiences no dynamical behavior. This is exact for δ-function photon statistics (i.e., if there is no intensity uncertainty). The trapping becomes less perfect as the photon statistics are allowed to have a greater bandwidth. Also, if the applied field is tuned incorrectly, the spontaneous realignment of the atomic state amplitudes does not result in a totally decoupled dressed state, and the dynamics proceed normally

  4. Spontaneous emission spectra and simulating multiple spontaneous generation coherence in a five-level atomic medium

    International Nuclear Information System (INIS)

    Li Jiahua; Liu Jibing; Qi Chunchao; Chen Aixi

    2006-01-01

    We investigate the features of the spontaneous emission spectra in a coherently driven cold five-level atomic system by means of a radio frequency (rf) or microwave field driving a hyperfine transition within the ground state. It is shown that a few interesting phenomena such as spectral-line narrowing, spectral-line enhancement, spectral-line suppression, and spontaneous emission quenching can be realized by modulating the frequency and intensity of the rf-driving field in our system. In the dressed-state picture of the coupling and rf-driving fields, we find that this coherently driven atomic system has three close-lying levels so that multiple spontaneously generated coherence (SGC) arises. Our considered atomic model can be found in real atoms, such as rubidium or sodium, so a corresponding experiment can be done to observe the expected phenomena related to SGC reported by Fountoulakis et al. [Phys. Rev. A 73, 033811 (2006)], since no rigorous conditions are required

  5. Security in Service Level Agreements for Cloud Computing

    OpenAIRE

    Bernsmed, Karin; JAATUN, Martin Gilje; Undheim, Astrid

    2011-01-01

    The Cloud computing paradigm promises reliable services, accessible from anywhere in the world, in an on-demand manner. Insufficient security has been identified as a major obstacle to adopting Cloud services. To deal with the risks associated with outsourcing data and applications to the Cloud, new methods for security assurance are urgently needed. This paper presents a framework for security in Service Level Agreements for Cloud computing. The purpose is twofold; to help potential Cloud cu...

  6. Computing NLTE Opacities -- Node Level Parallel Calculation

    Energy Technology Data Exchange (ETDEWEB)

    Holladay, Daniel [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-09-11

    Presentation. The goal: to produce a robust library capable of computing reasonably accurate opacities inline with the assumption of LTE relaxed (non-LTE). Near term: demonstrate acceleration of non-LTE opacity computation. Far term (if funded): connect to application codes with in-line capability and compute opacities. Study science problems. Use efficient algorithms that expose many levels of parallelism and utilize good memory access patterns for use on advanced architectures. Portability to multiple types of hardware including multicore processors, manycore processors such as KNL, GPUs, etc. Easily coupled to radiation hydrodynamics and thermal radiative transfer codes.

  7. Dynamical Evolution of Properties for Atom and Field in the Process of Two-Photon Absorption and Emission Between Atomic Levels

    Science.gov (United States)

    Wang, Jian-ming; Xu, Xue-xiang

    2018-04-01

    Using dressed state method, we cleverly solve the dynamics of atom-field interaction in the process of two-photon absorption and emission between atomic levels. Here we suppose that the atom is initially in the ground state and the optical field is initially in Fock state, coherent state or thermal state, respectively. The properties of the atom, including the population in excited state and ground state, the atom inversion, and the properties for optical field, including the photon number distribution, the mean photon number, the second-order correlation function and the Wigner function, are discussed in detail. We derive their analytical expressions and then make numerical analysis for them. In contrast with Jaynes-Cummings model, some similar results, such as quantum Rabi oscillation, revival and collapse, are also exhibit in our considered model. Besides, some novel nonclassical states are generated.

  8. Design and performance of atomizing nozzles for spray calcination of high-level wastes

    International Nuclear Information System (INIS)

    Miller, F.A.; Stout, L.A.

    1981-05-01

    A key aspect of high-level liquid-waste spray calcination is waste-feed atomization by using air atomizing nozzles. Atomization substantially increases the heat transfer area of the waste solution, which enhances rapid drying. Experience from the spray-calciner operations has demonstrated that nozzle flow conditions that produce 70-μ median-volume-diameter or smaller spray droplets are required for small-scale spray calciners (drying capacity less than 80 L/h). For large-scale calciners (drying capacity greater than 300 L/h), nozzle flow conditions that produce 100-μ median-volume-diameter or smaller spray droplets are required. Mass flow ratios of 0.2 to 0.4, depending on nozzle size, are required for proper operation of internal-mix atomizing nozzles. Both internal-mix and external-mix nozzles have been tested at PNL. Due to the lower airflow requirements and fewer large droplets produced, the internal-mix nozzle has been chosen for primary development in the spray calciner program at PNL. Several nozzle air-cap materials for internal-mix nozzles have been tested for wear resistance. Results show that nozzle air caps of stainless steel and Cer-vit (a machineable glass ceramic) are suceptible to rapid wear by abrasive slurries, whereas air caps of alumina and reaction-bonded silicon nitride show only slow wear. Longer-term testing is necessary to determine more accurately the actual frequency of nozzle replacement. Atomizing nozzle air caps of alumina are subject to fracture from thermal shock, whereas air caps of silicon nitride and Cer-vit are not. Fractured nozzles are held in place by the air-cap retaining ring and continue to atomize satisfactorily. Therefore, fractures caused by thermal shocking do not necessarily result in nozzle failure

  9. Thermal Casimir-Polder forces on a V-type three-level atom

    Science.gov (United States)

    Xu, Chen-Ran; Xu, Jing-Ping; Al-amri, M.; Zhu, Cheng-Jie; Xie, Shuang-Yuan; Yang, Ya-Ping

    2017-09-01

    We study the thermal Casimir-Polder (CP) forces on a V-type three-level atom. The competition between the thermal effect and the quantum interference of the two transition dipoles on the force is investigated. To shed light onto the role of the quantum interference, we analyze two kinds of initial states of the atom, i.e., the superradiant state and the subradiant state. Considering the atom being in the thermal reservoir, the resonant CP force arising from the real photon emission dominates in the evolution of the CP force. Under the zero-temperature condition, the quantum interference can effectively modify the amplitude and the evolution of the force, leading to a long-time force or even the cancellation of the force. Our results reveal that in the finite-temperature case, the thermal photons can enhance the amplitude of all force elements, but have no influence on the net resonant CP force in the steady state, which means that the second law of thermodynamics still works. For the ideal degenerate V-type atom with parallel dipoles under the initial subradiant state, the robust destructive quantum interference overrides the thermal fluctuations, leading to the trapping of the atom in the subradiant state and the disappearance of the CP force. However, in terms of a realistic Zeeman atom, the thermal photons play a significant role during the evolution of the CP force. The thermal fluctuations can enhance the amplitude of the initial CP force by increasing the temperature, and weaken the influence of the quantum interference on the evolution of the CP force from the initial superradiant (subradiant) state to the steady state.

  10. High-precision two-dimensional atom localization from four-wave mixing in a double-Λ four-level atomic system

    Science.gov (United States)

    Shui, Tao; Yang, Wen-Xing; Chen, Ai-Xi; Liu, Shaopeng; Li, Ling; Zhu, Zhonghu

    2018-03-01

    We propose a scheme for high-precision two-dimensional (2D) atom localization via the four-wave mixing (FWM) in a four-level double-Λ atomic system. Due to the position-dependent atom-field interaction, the 2D position information of the atoms can be directly determined by the measurement of the normalized light intensity of output FWM-generated field. We further show that, when the position-dependent generated FWM field has become sufficiently intense, efficient back-coupling to the FWM generating state becomes important. This back-coupling pathway leads to competitive multiphoton destructive interference of the FWM generating state by three supplied and one internally generated fields. We find that the precision of 2D atom localization can be improved significantly by the multiphoton destructive interference and depends sensitively on the frequency detunings and the pump field intensity. Interestingly enough, we show that adjusting the frequency detunings and the pump field intensity can modify significantly the FWM efficiency, and consequently lead to a redistribution of the atoms. As a result, the atom can be localized in one of four quadrants with holding the precision of atom localization.

  11. The effect of a coupling field on the entanglement dynamics of a three-level atom

    International Nuclear Information System (INIS)

    Mortezapour, Ali; Mahmoudi, Mohammad; Abedi, Majid; Khajehpour, M R H

    2011-01-01

    The effect of a coupling laser field on the entanglement of a three-level quantum system and its spontaneous emission is investigated via the reduced quantum entropy. We consider two schemes: the upper- and lower-level couplings. By calculating the degree of entanglement (DEM) for both systems, it is shown that the entanglement between the atom and its spontaneous emission can be controlled by the coupling laser field. This field, however, affects the entanglement differently in the two schemes; it is only the lower-level coupling scheme that shows a non-zero steady state DEM which can be controlled by the intensity and detuning of the coupling laser field.

  12. The effect of a coupling field on the entanglement dynamics of a three-level atom

    Energy Technology Data Exchange (ETDEWEB)

    Mortezapour, Ali; Mahmoudi, Mohammad [Physics Department, Zanjan University, PO Box 45195-313, Zanjan (Iran, Islamic Republic of); Abedi, Majid; Khajehpour, M R H, E-mail: mahmoudi@iasbs.ac.ir, E-mail: pour@iasbs.ac.ir [Institute for Advanced Studies in Basic Sciences, PO Box 45195-159, Zanjan (Iran, Islamic Republic of)

    2011-04-28

    The effect of a coupling laser field on the entanglement of a three-level quantum system and its spontaneous emission is investigated via the reduced quantum entropy. We consider two schemes: the upper- and lower-level couplings. By calculating the degree of entanglement (DEM) for both systems, it is shown that the entanglement between the atom and its spontaneous emission can be controlled by the coupling laser field. This field, however, affects the entanglement differently in the two schemes; it is only the lower-level coupling scheme that shows a non-zero steady state DEM which can be controlled by the intensity and detuning of the coupling laser field.

  13. New energy levels of atomic niobium (Nb I) discovered by laser-spectroscopic investigations

    Science.gov (United States)

    Kröger, S.; Windholz, L.; Başar, Gü.; Başar, Gö.

    2018-06-01

    We report the discovery of 9 previously unknown energy levels of the atomic niobium, all having even parity. Two levels have energies below 19,500 cm-1 and angular momentum J = 3/2, while the energies of the others are located between 39,700 and 43,420 cm-1. The levels were discovered by laser excitation of several unclassified spectral lines in the wavelength range between 554 nm and 650 nm and detection of laser-induced fluorescence with a monochromator.

  14. Irradiation induced defects containing oxygen atoms in germanium crystal as studied by deep level transient spectroscopy

    International Nuclear Information System (INIS)

    Fukuoka, Noboru; Kambe, Yoshiyuki; Saito, Haruo; Matsuda, Koji.

    1984-05-01

    Deep level transient spectroscopy was applied to the electron trapping levels which are associated with the irradiation induced lattice defects in germanium crystals. The germanium crystals used in the study were doped with oxygen, antimony or arsenic and the defects were formed by electron irradiation of 1.5MeV or 10MeV. The nature of so called ''thermal defect'' formed by heat treatment at about 670K was also studied. The trapping levels at Esub(c)-0.13eV, Esub(c)-0.25eV and Esub(c)-0.29eV were found to be associated with defects containing oxygen atoms. From the experimental results the Esub(c)-0.25eV level was attributed to the germanium A-center (interstitial oxygen atom-vacancy pair). Another defect associated with the 715cm -1 infrared absorption band was found to have a trapping level at the same position at Esub(c)-0.25eV. The Esub(c)-0.23eV and Esub(c)-0.1eV levels were revealed to be associated with thermal donors formed by heat treatment at about 670K. Additional two peaks (levels) were observed in the DLTS spectrum. The annealing behavior of the levels suggests that the thermal donors originate from not a single type but several types of defects. (author)

  15. Review on the applications of the very high speed computing technique to atomic energy field

    International Nuclear Information System (INIS)

    Hoshino, Tsutomu

    1981-01-01

    The demand of calculation in atomic energy field is enormous, and the physical and technological knowledge obtained by experiments are summarized into mathematical models, and accumulated as the computer programs for design, safety analysis of operational management. These calculation code systems are classified into reactor physics, reactor technology, operational management and nuclear fusion. In this paper, the demand of calculation speed in the diffusion and transport of neutrons, shielding, technological safety, core control and particle simulation is explained as the typical calculation. These calculations are divided into two models, the one is fluid model which regards physical systems as continuum, and the other is particle model which regards physical systems as composed of finite number of particles. The speed of computers in present state is too slow, and the capability 1000 to 10000 times as much as the present general purpose machines is desirable. The calculation techniques of pipeline system and parallel processor system are described. As an example of the practical system, the computer network OCTOPUS in the Lorence Livermore Laboratory is shown. Also, the CHI system in UCLA is introduced. (Kako, I.)

  16. Mechanisms of heterogeneous crystal growth in atomic systems: insights from computer simulations.

    Science.gov (United States)

    Gulam Razul, M S; Hendry, J G; Kusalik, P G

    2005-11-22

    In this paper we analyze the atomic-level structure of solid/liquid interfaces of Lennard-Jones fcc systems. The 001, 011, and 111 faces are examined during steady-state growth and melting of these crystals. The mechanisms of crystallization and melting are explored using averaged configurations generated during these steady-state runs, where subsequent tagging and labeling of particles at the interface provide many insights into the detailed atomic behavior at the freezing and melting interfaces. The interfaces are generally found to be rough and we observe the structure of freezing and melting interfaces to be very similar. Large structural fluctuations with solidlike and liquidlike characteristics are apparent in both the freezing and melting interfaces. The behavior at the interface observed under either growth or melting conditions reflects a competition between ordering and disordering processes. In addition, we observe atom hopping that imparts liquidlike characteristics to the solid side of the interfaces for all three crystal faces. Solid order is observed to extend as rough, three-dimensional protuberances through the interface, particularly for the 001 and 011 faces. We are also able to reconcile our different measures for the interfacial width and address the onset of asymmetry in the growth rates at high rates of crystal growth/melting.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  18. Coupling n-level Atoms with l-modes of Quantised Light in a Resonator

    International Nuclear Information System (INIS)

    Castaños, O; Cordero, S; Nahmad-Achar, E; López-Peña, R

    2016-01-01

    We study the quantum phase transitions associated to the Hamiltonian of a system of n-level atoms interacting with l modes of electromagnetic radiation in a resonator. The quantum phase diagrams are determined in analytic form by means of a variational procedure where the test function is constructed in terms of a tensorial product of coherent states describing the matter and the radiation field. We demonstrate that the system can be reduced to a set of Dicke models. (paper)

  19. On the consequences of the fact that atomic levels have a certain width

    OpenAIRE

    Billionnet, Claude

    2009-01-01

    This note presents two ideas. The first one is that quantum theory has a fundamentally perturbative basis but leads to nonperturbative states which it would seem natural to take into account in the foundation of a theory of quantum phenomena. The second one consists in questioning the validity of the present notion of time. Both matters are related to the fact that atomic levels have a certain width. This note is presented qualitatively so as to evidence its main points, independently of the ...

  20. Local, atomic-level elastic strain measurements of metallic glass thin films by electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Ebner, C. [Physics of Nanostructured Materials, Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna (Austria); Sarkar, R. [Department of Materials Science and Engineering, School for Engineering of Matter Transport and Energy, Arizona State University, Tempe 85287 (United States); Rajagopalan, J. [Department of Materials Science and Engineering, School for Engineering of Matter Transport and Energy, Arizona State University, Tempe 85287 (United States); Department of Mechanical and Aerospace Engineering, School for Engineering of Matter Transport and Energy, Arizona State University, Tempe 85287 (United States); Rentenberger, C., E-mail: christian.rentenberger@univie.ac.at [Physics of Nanostructured Materials, Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna (Austria)

    2016-06-15

    A novel technique is used to measure the atomic-level elastic strain tensor of amorphous materials by tracking geometric changes of the first diffuse ring of selected area electron diffraction patterns (SAD). An automatic procedure, which includes locating the centre and fitting an ellipse to the diffuse ring with sub-pixel precision is developed for extracting the 2-dimensional strain tensor from the SAD patterns. Using this technique, atomic-level principal strains from micrometre-sized regions of freestanding amorphous Ti{sub 0.45}Al{sub 0.55} thin films were measured during in-situ TEM tensile deformation. The thin films were deformed using MEMS based testing stages that allow simultaneous measurement of the macroscopic stress and strain. The calculated atomic-level principal strains show a linear dependence on the applied stress, and good correspondence with the measured macroscopic strains. The calculated Poisson’s ratio of 0.23 is reasonable for brittle metallic glasses. The technique yields a strain accuracy of about 1×10{sup −4} and shows the potential to obtain localized strain profiles/maps of amorphous thin film samples. - Highlights: • A TEM method to measure elastic strain in metallic glass films is proposed. • Method is based on tracking geometric changes in TEM diffraction patterns. • An automatic procedure is developed for extracting the local strain tensor. • Atomic-level strain in amorphous TiAl film was analysed during in-situ deformation. • Capability of the method to obtain micrometer scale strain profiles/maps is shown.

  1. Monte Carlo simulation of electrothermal atomization on a desktop personal computer

    Science.gov (United States)

    Histen, Timothy E.; Güell, Oscar A.; Chavez, Iris A.; Holcombea, James A.

    1996-07-01

    Monte Carlo simulations have been applied to electrothermal atomization (ETA) using a tubular atomizer (e.g. graphite furnace) because of the complexity in the geometry, heating, molecular interactions, etc. The intense computational time needed to accurately model ETA often limited its effective implementation to the use of supercomputers. However, with the advent of more powerful desktop processors, this is no longer the case. A C-based program has been developed and can be used under Windows TM or DOS. With this program, basic parameters such as furnace dimensions, sample placement, furnace heating and kinetic parameters such as activation energies for desorption and adsorption can be varied to show the absorbance profile dependence on these parameters. Even data such as time-dependent spatial distribution of analyte inside the furnace can be collected. The DOS version also permits input of external temperaturetime data to permit comparison of simulated profiles with experimentally obtained absorbance data. The run-time versions are provided along with the source code. This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hardcopy text is accompanied by a diskette with a program (PC format), data files and text files.

  2. Multi-level programming paradigm for extreme computing

    International Nuclear Information System (INIS)

    Petiton, S.; Sato, M.; Emad, N.; Calvin, C.; Tsuji, M.; Dandouna, M.

    2013-01-01

    In order to propose a framework and programming paradigms for post peta-scale computing, on the road to exa-scale computing and beyond, we introduced new languages, associated with a hierarchical multi-level programming paradigm, allowing scientific end-users and developers to program highly hierarchical architectures designed for extreme computing. In this paper, we explain the interest of such hierarchical multi-level programming paradigm for extreme computing and its well adaptation to several large computational science applications, such as for linear algebra solvers used for reactor core physic. We describe the YML language and framework allowing describing graphs of parallel components, which may be developed using PGAS-like language such as XMP, scheduled and computed on supercomputers. Then, we propose experimentations on supercomputers (such as the 'K' and 'Hooper' ones) of the hybrid method MERAM (Multiple Explicitly Restarted Arnoldi Method) as a case study for iterative methods manipulating sparse matrices, and the block Gauss-Jordan method as a case study for direct method manipulating dense matrices. We conclude proposing evolutions for this programming paradigm. (authors)

  3. A distributed, graphical user interface based, computer control system for atomic physics experiments.

    Science.gov (United States)

    Keshet, Aviv; Ketterle, Wolfgang

    2013-01-01

    Atomic physics experiments often require a complex sequence of precisely timed computer controlled events. This paper describes a distributed graphical user interface-based control system designed with such experiments in mind, which makes use of off-the-shelf output hardware from National Instruments. The software makes use of a client-server separation between a user interface for sequence design and a set of output hardware servers. Output hardware servers are designed to use standard National Instruments output cards, but the client-server nature should allow this to be extended to other output hardware. Output sequences running on multiple servers and output cards can be synchronized using a shared clock. By using a field programmable gate array-generated variable frequency clock, redundant buffers can be dramatically shortened, and a time resolution of 100 ns achieved over effectively arbitrary sequence lengths.

  4. A distributed, graphical user interface based, computer control system for atomic physics experiments

    Science.gov (United States)

    Keshet, Aviv; Ketterle, Wolfgang

    2013-01-01

    Atomic physics experiments often require a complex sequence of precisely timed computer controlled events. This paper describes a distributed graphical user interface-based control system designed with such experiments in mind, which makes use of off-the-shelf output hardware from National Instruments. The software makes use of a client-server separation between a user interface for sequence design and a set of output hardware servers. Output hardware servers are designed to use standard National Instruments output cards, but the client-server nature should allow this to be extended to other output hardware. Output sequences running on multiple servers and output cards can be synchronized using a shared clock. By using a field programmable gate array-generated variable frequency clock, redundant buffers can be dramatically shortened, and a time resolution of 100 ns achieved over effectively arbitrary sequence lengths.

  5. Coherent population dynamics of a three-level atom in spacetime

    International Nuclear Information System (INIS)

    Netz, R.; Sauerbrey, R.; Feurer, T.; Roberts, G.

    2002-01-01

    This work explores temporal and spatial aspects of coherent population transfer in a three-level atom through a synergic combination of experimental measurements and theoretical calculations. Experimental measurements exploit the broad bandwidth of a femtosecond laser pulse to initiate simultaneous excitation of the 5p 2 P 1/2 2 S 1/2 and 5p 2 P 3/2 2 S 1/2 components of the doublet line of atomic rubidium. By adjusting positive or negative frequency sweeps the pump pulse favors either one of the two transitions and eventually even decouples the two excited states. The population of the excited spin-orbit levels is monitored in real time by stimulated emission probing under conditions of different intensity, chirp, and pulse width of the driving field, giving detailed information on the coupling between the three levels and their interactions with the driving and probe fields at different points in spacetime. Both pump and probe pulses are carefully characterized after the interaction region by frequency-resolved optical gating. In order to interpret and understand the experimental results it is essential to consider the close relationship between pulse propagation and time evolution of the atomic system via the coupled Maxwell-Bloch equations. This analysis highlights the importance of spatial propagation of the light fields, as well as their temporal dependence, in understanding the dynamical population evolution, and quantitatively reproduces all aspects of the experimental measurements

  6. Lande gJ factors for even-parity electronic levels in the holmium atom

    Science.gov (United States)

    Stefanska, D.; Werbowy, S.; Krzykowski, A.; Furmann, B.

    2018-05-01

    In this work the hyperfine structure of the Zeeman splitting for 18 even-parity levels in the holmium atom was investigated. The experimental method applied was laser induced fluorescence in a hollow cathode discharge lamp. 20 spectral lines were investigated involving odd-parity levels from the ground multiplet, for which Lande gJ factors are known with high precision, as the lower levels; this greatly facilitated the evaluation of gJ factors for the upper levels. The gJ values for the even-parity levels considered are reported for the first time. They proved to compare fairly well with the values obtained recently in a semi-empirical analysis for the even-parity level system of Ho I.

  7. Confidence Level Computation for Combining Searches with Small Statistics

    OpenAIRE

    Junk, Thomas

    1999-01-01

    This article describes an efficient procedure for computing approximate confidence levels for searches for new particles where the expected signal and background levels are small enough to require the use of Poisson statistics. The results of many independent searches for the same particle may be combined easily, regardless of the discriminating variables which may be measured for the candidate events. The effects of systematic uncertainty in the signal and background models are incorporated ...

  8. Radiation levels from computer monitor screens within Benue State ...

    African Journals Online (AJOL)

    Investigation of possible presence of soft X-ray levels from Computer Screens at distances of 0.5m and 1.0m was carried out within Benue State University, Makurdi, using ten different monitor models. Radiation measurement was carried out using a portable digital radiation meter, INSPECTOR 06250 (SE international Inc.

  9. Atomic structure calculation of energy levels and oscillator strengths in Ti ion, 2

    International Nuclear Information System (INIS)

    Ishii, Keishi

    1983-10-01

    Energy levels and oscillator strengths are calculated for 3s-3p and 3p-3d transition arrays in Ti X, isoelectronic to Al I. The energy levels are obtained by the Slater-Condon theory of atomic structure, including explicitly the strong configuration interactions. The results are presented both in numerical tables and in diagrams. In the tables, the observed data are included for comparison, where available. The calculated weighted oscillator strengths (gf-value) are also displayed in figures, where the weighted oscillator strengths are plotted as a function of wavelength. (author)

  10. The Population Inversion and the Entropy of a Moving Two-Level Atom in Interaction with a Quantized Field

    Science.gov (United States)

    Abo-Kahla, D. A. M.; Abdel-Aty, M.; Farouk, A.

    2018-05-01

    An atom with only two energy eigenvalues is described by a two-dimensional state space spanned by the two energy eigenstates is called a two-level atom. We consider the interaction between a two-level atom system with a constant velocity. An analytic solution of the systems which interacts with a quantized field is provided. Furthermore, the significant effect of the temperature on the atomic inversion, the purity and the information entropy are discussed in case of the initial state either an exited state or a maximally mixed state. Additionally, the effect of the half wavelengths number of the field-mode is investigated.

  11. Computer self-efficacy - is there a gender gap in tertiary level introductory computing classes?

    Directory of Open Access Journals (Sweden)

    Shirley Gibbs

    Full Text Available This paper explores the relationship between introductory computing students, self-efficacy, and gender. Since the use of computers has become more common there has been speculation that the confidence and ability to use them differs between genders. Self-efficacy is an important and useful concept used to describe how a student may perceive their own ability or confidence in using and learning new technology. A survey of students in an introductory computing class has been completed intermittently since the late 1990\\'s. Although some questions have been adapted to meet the changing technology the aim of the survey has remain unchanged. In this study self-efficacy is measured using two self-rating questions. Students are asked to rate their confidence using a computer and also asked to give their perception of their computing knowledge. This paper examines these two aspects of a person\\'s computer self-efficacy in order to identify any differences that may occur between genders in two introductory computing classes, one in 1999 and the other in 2012. Results from the 1999 survey are compared with those from the survey completed in 2012 and investigated to ascertain if the perception that males were more likely to display higher computer self-efficacy levels than their female classmates does or did exist in a class of this type. Results indicate that while overall there has been a general increase in self-efficacy levels in 2012 compared with 1999, there is no significant gender gap.

  12. Controlling the optical bistability and transmission coefficient in a four-level atomic medium

    International Nuclear Information System (INIS)

    Asadpour, Seyyed Hossein; Eslami-Majd, Abdullah

    2012-01-01

    A novel four level atomic configuration is proposed for controlling the optical bistability and transmission coefficient with application on all-optical switching. Two circularly polarized components from a weak linearly-polarized probe beam are interacted separately by two transitions of this medium. A coherent coupling field has derived another atomic transition. It is demonstrated that the transmission coefficient of two orthogonally polarized beams at different frequencies can be achieved by adjusting the magnitude of the external magnetic field. It is found that the threshold of the optical bistability can be controlled by magnitude of the external magnetic field. Also, it is shown that optical bistability can be converted to optical multistability by switching the two orthogonally polarized beams. - Highlights: ► An inverted Y-type four level atomic system is proposed. ► Transmission coefficient can be controlled by a novel interesting parameter. ► Optical bistability and multistability can be achieved via external magnetic field. ► It is shown that our proposed model is suitable for all optical switching application.

  13. Superthin disintegration of 2s-level in light hydrogenlike atoms: theory and experiment

    International Nuclear Information System (INIS)

    Karshenbojm, S.G.; Kolachevskij, N.N.; Ivanov, V.G.; Fischer, M.; Fendel, P.; Hensch, T.W.

    2006-01-01

    Peculiar combination of superthin disintegrations in hydrogen and in D 21 = 8f hfs (2s)-f hfs (1s) similar light two-particle atoms depends slightly on nucleus structure and thus enables to compare theory with experiment sensitive to the high order quantum-electrodynamic corrections. Paper presents new theoretical and experimental results. The calculations deal with hydrogen, deuterium and helium-3 ion. The experiments were performed for 2s level superthin disintegration in hydrogen and deuterium the error of which dominates in D 21 difference. Theory and experiment are in line, and their accuracy is comparable with the accuracy of verifications of the quantum-and-electrodynamic theory of superthin disintegration in lepton atoms (muonium and positronium) [ru

  14. Achieving nonlinear optical modulation via four-wave mixing in a four-level atomic system

    Science.gov (United States)

    Li, Hai-Chao; Ge, Guo-Qin; Zubairy, M. Suhail

    2018-05-01

    We propose an accessible scheme for implementing tunable nonlinear optical amplification and attenuation via a synergetic mechanism of four-wave mixing (FWM) and optical interference in a four-level ladder-type atomic system. By constructing a cyclic atom-field interaction, we show that two reverse FWM processes can coexist via optical transitions in different branches. In the suitable input-field conditions, strong interference effects between the input fields and the generated FWM fields can be induced and result in large amplification and deep attenuation of the output fields. Moreover, such an optical modulation from enhancement to suppression can be controlled by tuning the relative phase. The quantum system can be served as a switchable optical modulator with potential applications in quantum nonlinear optics.

  15. Modification of optical properties by adiabatic shifting of resonances in a four-level atom

    Science.gov (United States)

    Dutta, Bibhas Kumar; Panchadhyayee, Pradipta

    2018-04-01

    We describe the linear and nonlinear optical properties of a four-level atomic system, after reducing it to an effective two-level atomic model under the condition of adiabatic shifting of resonances driven by two coherent off-resonant fields. The reduced form of the Hamiltonian corresponding to the two-level system is obtained by employing an adiabatic elimination procedure in the rate equations of the probability amplitudes for the proposed four-level model. For a weak probe field operating in the system, the nonlinear dependence of complex susceptibility on the Rabi frequencies and the detuning parameters of the off-resonant driving fields makes it possible to exhibit coherent control of single-photon and two-photon absorption and transparency, the evolution of enhanced Self-Kerr nonlinearity and noticeable dispersive switching. We have shown how the quantum interference results in the generic four-level model at the adiabatic limit. The present scheme describes the appearance of single-photon transparency without invoking any exact two-photon resonance.

  16. Logic as Marr's Computational Level: Four Case Studies.

    Science.gov (United States)

    Baggio, Giosuè; van Lambalgen, Michiel; Hagoort, Peter

    2015-04-01

    We sketch four applications of Marr's levels-of-analysis methodology to the relations between logic and experimental data in the cognitive neuroscience of language and reasoning. The first part of the paper illustrates the explanatory power of computational level theories based on logic. We show that a Bayesian treatment of the suppression task in reasoning with conditionals is ruled out by EEG data, supporting instead an analysis based on defeasible logic. Further, we describe how results from an EEG study on temporal prepositions can be reanalyzed using formal semantics, addressing a potential confound. The second part of the article demonstrates the predictive power of logical theories drawing on EEG data on processing progressive constructions and on behavioral data on conditional reasoning in people with autism. Logical theories can constrain processing hypotheses all the way down to neurophysiology, and conversely neuroscience data can guide the selection of alternative computational level models of cognition. Copyright © 2014 Cognitive Science Society, Inc.

  17. Two-dimensional atom localization via a coherence-controlled absorption spectrum in an N-tripod-type five-level atomic system

    Energy Technology Data Exchange (ETDEWEB)

    Ding Chunling; Li Jiahua; Yang Xiaoxue [Wuhan National Laboratory for Optoelectronics and School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Zhan Zhiming [School of Physics and Information Engineering, Jianghan University, Wuhan 430056 (China); Liu Jibing, E-mail: clding2006@126.com, E-mail: huajia_li@163.com [Department of Physics, Hubei Normal University, Huangshi 435002 (China)

    2011-07-28

    A scheme of two-dimensional atom localization based on a coherence-controlled absorption spectrum in an N-tripod-type five-level system is proposed, in which the atom interacts with a weak probe field and three standing-wave fields. Position information of the atom can be achieved by measuring the probe absorption. It is found that the localization properties are significantly improved due to the interaction of dark resonances. It is also shown that the localization factors depend strongly on the system parameters that lead to such spatial structures of localization as chain-like, wave-like, '8'-like, spike-like, crater-like and heart-like patterns. By properly adjusting the system parameters, we can achieve a high-precision and high-resolution atom localization under certain conditions.

  18. Two-dimensional atom localization via a coherence-controlled absorption spectrum in an N-tripod-type five-level atomic system

    International Nuclear Information System (INIS)

    Ding Chunling; Li Jiahua; Yang Xiaoxue; Zhan Zhiming; Liu Jibing

    2011-01-01

    A scheme of two-dimensional atom localization based on a coherence-controlled absorption spectrum in an N-tripod-type five-level system is proposed, in which the atom interacts with a weak probe field and three standing-wave fields. Position information of the atom can be achieved by measuring the probe absorption. It is found that the localization properties are significantly improved due to the interaction of dark resonances. It is also shown that the localization factors depend strongly on the system parameters that lead to such spatial structures of localization as chain-like, wave-like, '8'-like, spike-like, crater-like and heart-like patterns. By properly adjusting the system parameters, we can achieve a high-precision and high-resolution atom localization under certain conditions.

  19. Interplay of intra-atomic and interatomic effects: An investigation of the 2p core level spectra of atomic Fe and molecular FeCl2

    International Nuclear Information System (INIS)

    Richter, T.; Wolff, T.; Zimmermann, P.; Godehusen, K.; Martins, M.

    2004-01-01

    The 2p photoabsorption and photoelectron spectra of atomic Fe and molecular FeCl 2 were studied by photoion and photoelectron spectroscopy using monochromatized synchrotron radiation and atomic or molecular beam technique. The atomic spectra were analyzed with configuration interaction calculations yielding excellent agreement between experiment and theory. For the analysis of the molecular photoelectron spectrum which shows pronounced interatomic effects, a charge transfer model was used, introducing an additional 3d 7 configuration. The resulting good agreement between the experimental and theoretical spectrum and the remarkable similarity of the molecular with the corresponding spectrum in the solid phase opens a way to a better understanding of the interplay of the interatomic and intra-atomic interactions in the 2p core level spectra of the 3d metal compounds

  20. Highly efficient computer algorithm for identifying layer thickness of atomically thin 2D materials

    Science.gov (United States)

    Lee, Jekwan; Cho, Seungwan; Park, Soohyun; Bae, Hyemin; Noh, Minji; Kim, Beom; In, Chihun; Yang, Seunghoon; Lee, Sooun; Seo, Seung Young; Kim, Jehyun; Lee, Chul-Ho; Shim, Woo-Young; Jo, Moon-Ho; Kim, Dohun; Choi, Hyunyong

    2018-03-01

    The fields of layered material research, such as transition-metal dichalcogenides (TMDs), have demonstrated that the optical, electrical and mechanical properties strongly depend on the layer number N. Thus, efficient and accurate determination of N is the most crucial step before the associated device fabrication. An existing experimental technique using an optical microscope is the most widely used one to identify N. However, a critical drawback of this approach is that it relies on extensive laboratory experiences to estimate N; it requires a very time-consuming image-searching task assisted by human eyes and secondary measurements such as atomic force microscopy and Raman spectroscopy, which are necessary to ensure N. In this work, we introduce a computer algorithm based on the image analysis of a quantized optical contrast. We show that our algorithm can apply to a wide variety of layered materials, including graphene, MoS2, and WS2 regardless of substrates. The algorithm largely consists of two parts. First, it sets up an appropriate boundary between target flakes and substrate. Second, to compute N, it automatically calculates the optical contrast using an adaptive RGB estimation process between each target, which results in a matrix with different integer Ns and returns a matrix map of Ns onto the target flake position. Using a conventional desktop computational power, the time taken to display the final N matrix was 1.8 s on average for the image size of 1280 pixels by 960 pixels and obtained a high accuracy of 90% (six estimation errors among 62 samples) when compared to the other methods. To show the effectiveness of our algorithm, we also apply it to TMD flakes transferred on optically transparent c-axis sapphire substrates and obtain a similar result of the accuracy of 94% (two estimation errors among 34 samples).

  1. Isotope shifts and electronic configurations of some of the energy levels of the neutral gadolinium atom

    International Nuclear Information System (INIS)

    Ahmad, S.A.; Venugopalan, A.; Saksena, G.D.

    1982-01-01

    Isotope shift ΔT (156-160) have been evaluated for 52 odd and 90 even energy levels of the neutral gadolinium atom from the measurements carried out on 166 lines of the first spectrum in the region 4535 to 4975 A on a photoelectric recording Fabry-Perot Spectrometer and enriched samples of 156 Gd and 160 Gd. Earlier studies provide data for just two lines in this region. Assignment of electronic configurations to some of the energy levels have been either confirmed or revised; some unassigned levels have been assigned probable configurations. The present study provides, for the first time, isotope shift of the two levels of 4f 7 6s 2 7s configuration of Gd I. (author)

  2. Mapping Hydrophobicity on the Protein Molecular Surface at Atom-Level Resolution

    Science.gov (United States)

    Nicolau Jr., Dan V.; Paszek, Ewa; Fulga, Florin; Nicolau, Dan V.

    2014-01-01

    A precise representation of the spatial distribution of hydrophobicity, hydrophilicity and charges on the molecular surface of proteins is critical for the understanding of the interaction with small molecules and larger systems. The representation of hydrophobicity is rarely done at atom-level, as this property is generally assigned to residues. A new methodology for the derivation of atomic hydrophobicity from any amino acid-based hydrophobicity scale was used to derive 8 sets of atomic hydrophobicities, one of which was used to generate the molecular surfaces for 35 proteins with convex structures, 5 of which, i.e., lysozyme, ribonuclease, hemoglobin, albumin and IgG, have been analyzed in more detail. Sets of the molecular surfaces of the model proteins have been constructed using spherical probes with increasingly large radii, from 1.4 to 20 Å, followed by the quantification of (i) the surface hydrophobicity; (ii) their respective molecular surface areas, i.e., total, hydrophilic and hydrophobic area; and (iii) their relative densities, i.e., divided by the total molecular area; or specific densities, i.e., divided by property-specific area. Compared with the amino acid-based formalism, the atom-level description reveals molecular surfaces which (i) present an approximately two times more hydrophilic areas; with (ii) less extended, but between 2 to 5 times more intense hydrophilic patches; and (iii) 3 to 20 times more extended hydrophobic areas. The hydrophobic areas are also approximately 2 times more hydrophobicity-intense. This, more pronounced “leopard skin”-like, design of the protein molecular surface has been confirmed by comparing the results for a restricted set of homologous proteins, i.e., hemoglobins diverging by only one residue (Trp37). These results suggest that the representation of hydrophobicity on the protein molecular surfaces at atom-level resolution, coupled with the probing of the molecular surface at different geometric resolutions

  3. Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

    Science.gov (United States)

    Tian Yi, Zhang; Neng Wu, Zheng

    2009-08-01

    Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

  4. Leveling coatings for reducing the atomic oxygen defect density in protected graphite fiber epoxy composites

    Science.gov (United States)

    Jaworske, D. A.; Degroh, Kim K.; Podojil, G.; McCollum, T.; Anzic, J.

    1992-11-01

    Pinholes or other defect sites in a protective oxide coating provide pathways for atomic oxygen in low Earth orbit to reach underlying material. One concept of enhancing the lifetime of materials in low Earth orbit is to apply a leveling coating to the material prior to applying any reflective and protective coatings. Using a surface tension leveling coating concept, a low viscosity epoxy was applied to the surface of several composite coupons. A protective layer of 1000 A of SiO2 was deposited on top of the leveling coating, and the coupons were exposed to an atomic oxygen environment in a plasma asher. Pinhole populations per unit area were estimated by counting the number of undercut sites observed by scanning electron microscopy. Defect density values of 180,000 defects/sq cm were reduced to about 1000 defects/sq cm as a result of the applied leveling coating. These improvements occur at a mass penalty of about 2.5 mg/sq cm.

  5. TWO-DIMENSIONAL LOCALIZATION OF ATOMIC POPULATIONS IN FOUR-LEVEL QUANTUM SYSTEMS

    Directory of Open Access Journals (Sweden)

    E. A. Efremova

    2014-07-01

    Full Text Available The paper deals with investigation of one aspect of fundamental problem of laser radiation interaction with the matter. This problem is spatial localization of atomic populations due to fields impact of few running waves. We are the first to propose in our work two–dimensional spatial localization of atomic populations in medium with tripod–like configuration of levels under the field influence of running waves only. Three running waves, propagating along one plane 120o angle-wise to each other, form the system of standing waves in this plane. Atomic populations can be localized in the field of these standing waves. Moreover, the degree of such localization can make up hundredth parts of the wavelength of the incident optical radiation. It is shown that an excitation of the central transition of the tripod-like system using a field of multidirectional linearly polarized running waves is the necessary condition of the population dependence from spatial coordinates in the XY – plane. The two–dimensional shapes that appear in this system can have very complicated structure such as “double – craters”.

  6. Spectral properties of a V-type three-level atom driven by two bichromatic fields

    International Nuclear Information System (INIS)

    Li Peng; Nakajima, Takashi; Ning Xijing

    2006-01-01

    We theoretically investigate the spectral properties of a V-type three-level atom driven by two bichromatic fields with a common frequency difference. By decomposing the master equation using harmonic expansions and invoking quantum regression theorem, fluorescence and probe absorption spectra of the strong atomic transition are numerically calculated under the steady state condition. We find that both fluorescence and absorption spectra exhibit two interesting features, which are equidistant comblike structures and phase-dependent line splittings. In the comblike structures, each fluorescence peak can be made subnatural by manipulating the relative intensities of the coupling fields, while for the absorption lines only the central peak can be narrowed. Line splittings are induced by the relative phase delay between the envelopes of the amplitudes of the two bichromatic fields. Interestingly, we find that the manipulation of the relative phase delay results in the emergence of sharp subnatural dips in the absorption spectra. As a natural consequence of the subnatural absorption dips, absorption spectra in atomic vapors exhibit striking subnatural burning holes for the counterpropagating probe beam geometry

  7. Bayesian feedback versus Markovian feedback in a two-level atom

    International Nuclear Information System (INIS)

    Wiseman, H.M.; Mancini, Stefano; Wang Jin

    2002-01-01

    We compare two different approaches to the control of the dynamics of a continuously monitored open quantum system. The first is Markovian feedback, as introduced in quantum optics by Wiseman and Milburn [Phys. Rev. Lett. 70, 548 (1993)]. The second is feedback based on an estimate of the system state, developed recently by Doherty and Jacobs [Phys. Rev. A 60, 2700 (1999)]. Here we choose to call it, for brevity, Bayesian feedback. For systems with nonlinear dynamics, we expect these two methods of feedback control to give markedly different results. The simplest possible nonlinear system is a driven and damped two-level atom, so we choose this as our model system. The monitoring is taken to be homodyne detection of the atomic fluorescence, and the control is by modulating the driving. The aim of the feedback in both cases is to stabilize the internal state of the atom as close as possible to an arbitrarily chosen pure state, in the presence of inefficient detection and other forms of decoherence. Our results (obtained without recourse to stochastic simulations) prove that Bayesian feedback is never inferior, and is usually superior, to Markovian feedback. However, it would be far more difficult to implement than Markovian feedback and it loses its superiority when obvious simplifying approximations are made. It is thus not clear which form of feedback would be better in the face of inevitable experimental imperfections

  8. Computing Bounds on Resource Levels for Flexible Plans

    Science.gov (United States)

    Muscvettola, Nicola; Rijsman, David

    2009-01-01

    A new algorithm efficiently computes the tightest exact bound on the levels of resources induced by a flexible activity plan (see figure). Tightness of bounds is extremely important for computations involved in planning because tight bounds can save potentially exponential amounts of search (through early backtracking and detection of solutions), relative to looser bounds. The bound computed by the new algorithm, denoted the resource-level envelope, constitutes the measure of maximum and minimum consumption of resources at any time for all fixed-time schedules in the flexible plan. At each time, the envelope guarantees that there are two fixed-time instantiations one that produces the minimum level and one that produces the maximum level. Therefore, the resource-level envelope is the tightest possible resource-level bound for a flexible plan because any tighter bound would exclude the contribution of at least one fixed-time schedule. If the resource- level envelope can be computed efficiently, one could substitute looser bounds that are currently used in the inner cores of constraint-posting scheduling algorithms, with the potential for great improvements in performance. What is needed to reduce the cost of computation is an algorithm, the measure of complexity of which is no greater than a low-degree polynomial in N (where N is the number of activities). The new algorithm satisfies this need. In this algorithm, the computation of resource-level envelopes is based on a novel combination of (1) the theory of shortest paths in the temporal-constraint network for the flexible plan and (2) the theory of maximum flows for a flow network derived from the temporal and resource constraints. The measure of asymptotic complexity of the algorithm is O(N O(maxflow(N)), where O(x) denotes an amount of computing time or a number of arithmetic operations proportional to a number of the order of x and O(maxflow(N)) is the measure of complexity (and thus of cost) of a maximumflow

  9. Computation of the Arnol close-quote d web for the hydrogen atom in crossed electric and magnetic fields

    International Nuclear Information System (INIS)

    von Milczewski, J.; Diercksen, G.H.; Uzer, T.

    1996-01-01

    A Rydberg atom placed in crossed static electric and magnetic fields is presented as a new testbed for phenomena not possible in two degrees of freedom. We compute the Arnol close-quote d web for this system and explore the time scale and the physical consequences of diffusion along this web. copyright 1996 The American Physical Society

  10. Spatial Splitting and Intensity Suppression of Four-Wave Mixing in V-Type Three-Level Atomic System

    International Nuclear Information System (INIS)

    Chuang-She, Li; Wei-Tao, Yin; Chen-Zhi, Yuan; Mei-Zhen, Shi; Yan, Zhao; Yan-Peng, Zhang

    2010-01-01

    We illustrate our experimental observation of coexisting the controllable spatial splitting and intensity suppression of four-wave mixing (FWM) beam in a V-type three-level atomic system. The peak number and separation distance of the FWM beam are controlled by the intensities and frequencies of the laser beams, as well as atomic density

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

    Directory of Open Access Journals (Sweden)

    M. Amniat-Talab

    2007-06-01

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

  12. Numerology, hydrogenic levels, and the ordering of excited states in one-electron atoms

    Science.gov (United States)

    Armstrong, Lloyd, Jr.

    1982-03-01

    We show that the observed ordering of Rydberg states of one-electron atoms can be understood by assuming that these states are basically hydrogenic in nature. Much of the confusion concerning this point is shown to arise from the failure to differentiate between hydrogenic ordering as the nuclear charge approaches infinity, and hydrogenic ordering for an effective charge of one. The origin of κ ordering of Rydberg levels suggested by Sternheimer is considered within this picture, and the predictions of κ ordering are compared with those obtained by assuming hydrogenic ordering.

  13. Entropy squeezing for a two-level atom in the Jaynes-Cummings model with an intensity-depend coupling

    Institute of Scientific and Technical Information of China (English)

    李春先; 方卯发

    2003-01-01

    We study the squeezing for a two-level atom in the Jaynes-Cummings model with intensity-dependent coupling using quantum information entropy, and examine the influences of the initial state of the system on the squeezed component number and direction of the information entropy squeezing. Our results show that, the squeezed component number depends on the atomic initial distribution angle, while the squeezed direction is determined by both the phases of the atom and the field for the information entropy squeezing. Quantum information entropy is shown to be a remarkable precision measure for atomic squeezing.

  14. Entropy squeezing for a two—level atom in the Jaynes—Cummings model with an intensity—depend coupling

    Institute of Scientific and Technical Information of China (English)

    李春先; 方卯发; 等

    2003-01-01

    We study the squeezing for a two-level atom in the Jaynes-Cumings model with intensity-dependent coupling using quantum information entropy,and examine the influences of the initial state of the system on the squeezed component number and direction of the information entropy squeezing.Our results show that,the squeezed component number depends on the atomic initial distribution angle,while the squeezed direction is determined by both the phases of the atom and the field for the information entropy squeezing.Quantum information entropy is shown to be a remarkable precision measure for atomic squeezing.

  15. On the deviation from the sech2 superradiant emission law in a two-level atomic system

    International Nuclear Information System (INIS)

    Goncalves, A.E.

    1990-01-01

    The atomic superradiant emission is treated in the single particle mean field approximation. A single particle Hamiltonian, which represents a dressed two-level atom in a radiation field, can be obtained and it is verified that it describes the transient regime of the emission process. While the line shape emission for a bare atom follows the sech 2 law, for the dressed atom the line shape deviates appreciably from this law and it is verified that the deviation depends crucially on the ratio of the dynamic frequency shift to the transition frequency. This kind of deviation is observed in experimental results. (Author) [pt

  16. Isotope shifts in odd and even energy levels of the neutral and singly ionised gadolinium atom

    International Nuclear Information System (INIS)

    Ahmad, S.A.; Venugopalan, A.; Saksena, G.D.

    1979-01-01

    Isotope shift studies in the gadolinium spectra have been extended in the region 4140 to 4535 A. Isotope shift Δσ(156 to 160) have been measured in 315 lines of the neutral and singly ionised gadolinium atom using a recording Fabry-Perot Spectrometer and gadolinium samples enriched in 156 Gd and 160 Gd isotopes. Some of the Gd I lines studied involve transitions from newly identified high odd levels of 4f 8 6s6p, 4f 7 5d6s7s and 4f 7 5d 3 configurations to low even levels of 4f 8 6s 2 and 4f 7 6s 2 6p configurations. Electronic configurations of the energy levels have been discussed on the basis of observed isotope shifts. In some cases assigned configurations have been revised and probable configurations have been suggested. (author)

  17. Status and tendencies in combating computer crime at European level

    Directory of Open Access Journals (Sweden)

    Pisarić Milana

    2011-01-01

    Full Text Available Without certain adjustments to specifics of computer crime, as to a phenomenon of global proportions, detection, investigation and prosecution of this type of crime is almost impossible. Therefore, the need for setting up a legal framework for combating cyber crime has been identified, in order to define which activities related to information systems are considered computer crime; to determine the specific procedural rules, which would enable the access to data, computer and networks during investigating and prosecuting computer crime and to provide continuous training of members of the institutions responsible for countering this form of crime. This legal framework should consist of substantive and procedural rules adapted to this type of crime due its aim is the improvement of international cooperation in the framework of global and regional approach to combating cyber crime. In this this paper the current situation of strategic and legal framework of countering cyber crime is presented (at the level of the Council of Europe and of the European Union as well as trends in the development of systematic approach towards countering the mentioned abuses within these regional organizations. At the European level, the legal framework to combat cyber crime is set in the Council of Europe Convention on cyber crime and the Council of EU Framework Decision on attacks against information systems. In a series of documents organs of EU confirmed the strategic support of COE Convention and the encouragement of Member States to ratify the Convention. In addition, the Convention represent the base of the said Framework Decision. These two legal instruments have the same goal - removing the differences between national legislation, the introduction of new powers in the discovery and evidence of computer crime and improvement of the international cooperation in combating cyber crime. Although their legal nature and scope vary, its objectives will be achieved

  18. Improvement of level-1 PSA computer code package

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Tae Woon; Park, C. K.; Kim, K. Y.; Han, S. H.; Jung, W. D.; Chang, S. C.; Yang, J. E.; Sung, T. Y.; Kang, D. I.; Park, J. H.; Lee, Y. H.; Kim, S. H.; Hwang, M. J.; Choi, S. Y.

    1997-07-01

    This year the fifth (final) year of the phase-I of the Government-sponsored Mid- and Long-term Nuclear Power Technology Development Project. The scope of this subproject titled on `The improvement of level-1 PSA Computer Codes` is divided into two main activities : (1) improvement of level-1 PSA methodology, (2) development of applications methodology of PSA techniques to operations and maintenance of nuclear power plant. Level-1 PSA code KIRAP is converted to PC-Windows environment. For the improvement of efficiency in performing PSA, the fast cutset generation algorithm and an analytical technique for handling logical loop in fault tree modeling are developed. Using about 30 foreign generic data sources, generic component reliability database (GDB) are developed considering dependency among source data. A computer program which handles dependency among data sources are also developed based on three stage bayesian updating technique. Common cause failure (CCF) analysis methods are reviewed and CCF database are established. Impact vectors can be estimated from this CCF database. A computer code, called MPRIDP, which handles CCF database are also developed. A CCF analysis reflecting plant-specific defensive strategy against CCF event is also performed. A risk monitor computer program, called Risk Monster, are being developed for the application to the operation and maintenance of nuclear power plant. The PSA application technique is applied to review the feasibility study of on-line maintenance and to the prioritization of in-service test (IST) of motor-operated valves (MOV). Finally, the root cause analysis (RCA) and reliability-centered maintenance (RCM) technologies are adopted and applied to the improvement of reliability of emergency diesel generators (EDG) of nuclear power plant. To help RCA and RCM analyses, two software programs are developed, which are EPIS and RAM Pro. (author). 129 refs., 20 tabs., 60 figs.

  19. Improvement of level-1 PSA computer code package

    International Nuclear Information System (INIS)

    Kim, Tae Woon; Park, C. K.; Kim, K. Y.; Han, S. H.; Jung, W. D.; Chang, S. C.; Yang, J. E.; Sung, T. Y.; Kang, D. I.; Park, J. H.; Lee, Y. H.; Kim, S. H.; Hwang, M. J.; Choi, S. Y.

    1997-07-01

    This year the fifth (final) year of the phase-I of the Government-sponsored Mid- and Long-term Nuclear Power Technology Development Project. The scope of this subproject titled on 'The improvement of level-1 PSA Computer Codes' is divided into two main activities : 1) improvement of level-1 PSA methodology, 2) development of applications methodology of PSA techniques to operations and maintenance of nuclear power plant. Level-1 PSA code KIRAP is converted to PC-Windows environment. For the improvement of efficiency in performing PSA, the fast cutset generation algorithm and an analytical technique for handling logical loop in fault tree modeling are developed. Using about 30 foreign generic data sources, generic component reliability database (GDB) are developed considering dependency among source data. A computer program which handles dependency among data sources are also developed based on three stage bayesian updating technique. Common cause failure (CCF) analysis methods are reviewed and CCF database are established. Impact vectors can be estimated from this CCF database. A computer code, called MPRIDP, which handles CCF database are also developed. A CCF analysis reflecting plant-specific defensive strategy against CCF event is also performed. A risk monitor computer program, called Risk Monster, are being developed for the application to the operation and maintenance of nuclear power plant. The PSA application technique is applied to review the feasibility study of on-line maintenance and to the prioritization of in-service test (IST) of motor-operated valves (MOV). Finally, the root cause analysis (RCA) and reliability-centered maintenance (RCM) technologies are adopted and applied to the improvement of reliability of emergency diesel generators (EDG) of nuclear power plant. To help RCA and RCM analyses, two software programs are developed, which are EPIS and RAM Pro. (author). 129 refs., 20 tabs., 60 figs

  20. All-memristive neuromorphic computing with level-tuned neurons

    Science.gov (United States)

    Pantazi, Angeliki; Woźniak, Stanisław; Tuma, Tomas; Eleftheriou, Evangelos

    2016-09-01

    In the new era of cognitive computing, systems will be able to learn and interact with the environment in ways that will drastically enhance the capabilities of current processors, especially in extracting knowledge from vast amount of data obtained from many sources. Brain-inspired neuromorphic computing systems increasingly attract research interest as an alternative to the classical von Neumann processor architecture, mainly because of the coexistence of memory and processing units. In these systems, the basic components are neurons interconnected by synapses. The neurons, based on their nonlinear dynamics, generate spikes that provide the main communication mechanism. The computational tasks are distributed across the neural network, where synapses implement both the memory and the computational units, by means of learning mechanisms such as spike-timing-dependent plasticity. In this work, we present an all-memristive neuromorphic architecture comprising neurons and synapses realized by using the physical properties and state dynamics of phase-change memristors. The architecture employs a novel concept of interconnecting the neurons in the same layer, resulting in level-tuned neuronal characteristics that preferentially process input information. We demonstrate the proposed architecture in the tasks of unsupervised learning and detection of multiple temporal correlations in parallel input streams. The efficiency of the neuromorphic architecture along with the homogenous neuro-synaptic dynamics implemented with nanoscale phase-change memristors represent a significant step towards the development of ultrahigh-density neuromorphic co-processors.

  1. All-memristive neuromorphic computing with level-tuned neurons.

    Science.gov (United States)

    Pantazi, Angeliki; Woźniak, Stanisław; Tuma, Tomas; Eleftheriou, Evangelos

    2016-09-02

    In the new era of cognitive computing, systems will be able to learn and interact with the environment in ways that will drastically enhance the capabilities of current processors, especially in extracting knowledge from vast amount of data obtained from many sources. Brain-inspired neuromorphic computing systems increasingly attract research interest as an alternative to the classical von Neumann processor architecture, mainly because of the coexistence of memory and processing units. In these systems, the basic components are neurons interconnected by synapses. The neurons, based on their nonlinear dynamics, generate spikes that provide the main communication mechanism. The computational tasks are distributed across the neural network, where synapses implement both the memory and the computational units, by means of learning mechanisms such as spike-timing-dependent plasticity. In this work, we present an all-memristive neuromorphic architecture comprising neurons and synapses realized by using the physical properties and state dynamics of phase-change memristors. The architecture employs a novel concept of interconnecting the neurons in the same layer, resulting in level-tuned neuronal characteristics that preferentially process input information. We demonstrate the proposed architecture in the tasks of unsupervised learning and detection of multiple temporal correlations in parallel input streams. The efficiency of the neuromorphic architecture along with the homogenous neuro-synaptic dynamics implemented with nanoscale phase-change memristors represent a significant step towards the development of ultrahigh-density neuromorphic co-processors.

  2. Entropy squeezing of the field interacting with a nearly degenerate V-type three-level atom

    Institute of Scientific and Technical Information of China (English)

    Zhou Qing-Chun; Zhu Shi-Ning

    2005-01-01

    The position- and momentum-entopic squeezing properties of the optical field in the system of a nearly degenerate three-level atom interacting with a single-mode field are investigated. Calculation results indicate that when the field is initially in the vacuum state, it may lead to squeezing of the position entropy or the momentum entropy of the field if the atom is prepared properly. The effects of initial atomic state and the splitting of the excited levels of the atom on field entropies are discussed in this case. When the initial field is in a coherent state, we find that position-entropy squeezing of the field is present even if the atom is prepared in the ground state. By comparing the variance squeezing and entropy squeezing of the field we confirm that entropy is more sensitive than variance in measuring quantum fluctuations.

  3. Control of spontaneous emission from a microwave-field-driven four-level atom in an anisotropic photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Duo, E-mail: zhangduo10@gmail.com [Wuhan National Laboratory for Optoelectronics and School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); School of Electrical and Electronic Engineering, Wuhan Polytechnic University, Wuhan 430023 (China); Li, Jiahua, E-mail: huajia_li@163.com [Wuhan National Laboratory for Optoelectronics and School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Ding, Chunling; Yang, Xiaoxue [Wuhan National Laboratory for Optoelectronics and School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2012-05-21

    The spontaneous emission properties of a microwave-field-driven four-level atom embedded in anisotropic double-band photonic crystals (PCs) are investigated. We discuss the influences of the band-edge positions, Rabi frequency and detuning of the microwave field on the emission spectrum. It is found that several interesting features such as spectral-line enhancement, spectral-line suppression, spectral-line overlap, and multi-peak structures can be observed in the spectra. The proposed scheme can be achieved by use of a microwave-coupled field into hyperfine levels in rubidium atom confined in a photonic crystal. These theoretical investigations may provide more degrees of freedom to manipulate the atomic spontaneous emission. -- Highlights: ► Spontaneous emission properties of an atom embedded in PCs are investigated. ► Spectral-line enhancement, suppression and overlapping are observed. ► The results provide more degrees of freedom to control atomic spontaneous emission.

  4. Control of spontaneous emission from a microwave-field-driven four-level atom in an anisotropic photonic crystal

    International Nuclear Information System (INIS)

    Zhang, Duo; Li, Jiahua; Ding, Chunling; Yang, Xiaoxue

    2012-01-01

    The spontaneous emission properties of a microwave-field-driven four-level atom embedded in anisotropic double-band photonic crystals (PCs) are investigated. We discuss the influences of the band-edge positions, Rabi frequency and detuning of the microwave field on the emission spectrum. It is found that several interesting features such as spectral-line enhancement, spectral-line suppression, spectral-line overlap, and multi-peak structures can be observed in the spectra. The proposed scheme can be achieved by use of a microwave-coupled field into hyperfine levels in rubidium atom confined in a photonic crystal. These theoretical investigations may provide more degrees of freedom to manipulate the atomic spontaneous emission. -- Highlights: ► Spontaneous emission properties of an atom embedded in PCs are investigated. ► Spectral-line enhancement, suppression and overlapping are observed. ► The results provide more degrees of freedom to control atomic spontaneous emission.

  5. Survey of plutonium and uranium atom ratios and activity levels in Mortandad Canyon

    Energy Technology Data Exchange (ETDEWEB)

    Gallaher, B.M.; Benjamin, T.M.; Rokop, D.J.; Stoker, A.K.

    1997-09-22

    For more than three decades Mortandad Canyon has been the primary release area of treated liquid radioactive waste from the Los Alamos National Laboratory (Laboratory). In this survey, six water samples and seven stream sediment samples collected in Mortandad Canyon were analyzed by thermal ionization mass spectrometry (TIMS) to determine the plutonium and uranium activity levels and atom ratios. Be measuring the {sup 240}Pu/{sup 239}Pu atom ratios, the Laboratory plutonium component was evaluated relative to that from global fallout. Measurements of the relative abundance of {sup 235}U and {sup 236}U were also used to identify non-natural components. The survey results indicate the Laboratory plutonium and uranium concentrations in waters and sediments decrease relatively rapidly with distance downstream from the major industrial sources. Plutonium concentrations in shallow alluvial groundwater decrease by approximately 1000 fold along a 3000 ft distance. At the Laboratory downstream boundary, total plutonium and uranium concentrations were generally within regional background ranges previously reported. Laboratory derived plutonium is readily distinguished from global fallout in on-site waters and sediments. The isotopic ratio data indicates off-site migration of trace levels of Laboratory plutonium in stream sediments to distances approximately two miles downstream of the Laboratory boundary.

  6. Survey of plutonium and uranium atom ratios and activity levels in Mortandad Canyon

    Energy Technology Data Exchange (ETDEWEB)

    Gallaher, B.M.; Efurd, D.W.; Rokop, D.J.; Benjamin, T.M. [Los Alamos National Lab., NM (United States); Stoker, A.K. [Science Applications, Inc., White Rock, NM (United States)

    1997-10-01

    For more than three decades, Mortandad Canyon has been the primary release area of treated liquid radioactive waste from the Los Alamos National Laboratory (Laboratory). In this survey, six water samples and seven stream sediment samples collected in Mortandad Canyon were analyzed by thermal ionization mass spectrometry to determine the plutonium and uranium activity levels and atom ratios. By measuring the {sup 240}Pu/{sup 239}Pu atom ratios, the Laboratory plutonium component was evaluated relative to that from global fallout. Measurements of the relative abundance of {sup 235}U and {sup 236}U were also used to identify non-natural components. The survey results indicate that the Laboratory plutonium and uranium concentrations in waters and sediments decrease relatively rapidly with distance downstream from the major industrial sources. Plutonium concentrations in shallow alluvial groundwater decrease by approximately 1,000-fold along a 3,000-ft distance. At the Laboratory downstream boundary, total plutonium and uranium concentrations were generally within regional background ranges previously reported. Laboratory-derived plutonium is readily distinguished from global fallout in on-site waters and sediments. The isotopic ratio data indicate off-site migration of trace levels of Laboratory plutonium in stream sediments to distances approximately two miles downstream of the Laboratory boundary.

  7. Survey of plutonium and uranium atom ratios and activity levels in Mortandad Canyon

    International Nuclear Information System (INIS)

    Gallaher, B.M.; Efurd, D.W.; Rokop, D.J.; Benjamin, T.M.; Stoker, A.K.

    1997-10-01

    For more than three decades, Mortandad Canyon has been the primary release area of treated liquid radioactive waste from the Los Alamos National Laboratory (Laboratory). In this survey, six water samples and seven stream sediment samples collected in Mortandad Canyon were analyzed by thermal ionization mass spectrometry to determine the plutonium and uranium activity levels and atom ratios. By measuring the 240 Pu/ 239 Pu atom ratios, the Laboratory plutonium component was evaluated relative to that from global fallout. Measurements of the relative abundance of 235 U and 236 U were also used to identify non-natural components. The survey results indicate that the Laboratory plutonium and uranium concentrations in waters and sediments decrease relatively rapidly with distance downstream from the major industrial sources. Plutonium concentrations in shallow alluvial groundwater decrease by approximately 1,000-fold along a 3,000-ft distance. At the Laboratory downstream boundary, total plutonium and uranium concentrations were generally within regional background ranges previously reported. Laboratory-derived plutonium is readily distinguished from global fallout in on-site waters and sediments. The isotopic ratio data indicate off-site migration of trace levels of Laboratory plutonium in stream sediments to distances approximately two miles downstream of the Laboratory boundary

  8. Survey of plutonium and uranium atom ratios and activity levels in Mortandad Canyon

    International Nuclear Information System (INIS)

    Gallaher, B.M.; Benjamin, T.M.; Rokop, D.J.; Stoker, A.K.

    1997-01-01

    For more than three decades Mortandad Canyon has been the primary release area of treated liquid radioactive waste from the Los Alamos National Laboratory (Laboratory). In this survey, six water samples and seven stream sediment samples collected in Mortandad Canyon were analyzed by thermal ionization mass spectrometry (TIMS) to determine the plutonium and uranium activity levels and atom ratios. Be measuring the 240 Pu/ 239 Pu atom ratios, the Laboratory plutonium component was evaluated relative to that from global fallout. Measurements of the relative abundance of 235 U and 236 U were also used to identify non-natural components. The survey results indicate the Laboratory plutonium and uranium concentrations in waters and sediments decrease relatively rapidly with distance downstream from the major industrial sources. Plutonium concentrations in shallow alluvial groundwater decrease by approximately 1000 fold along a 3000 ft distance. At the Laboratory downstream boundary, total plutonium and uranium concentrations were generally within regional background ranges previously reported. Laboratory derived plutonium is readily distinguished from global fallout in on-site waters and sediments. The isotopic ratio data indicates off-site migration of trace levels of Laboratory plutonium in stream sediments to distances approximately two miles downstream of the Laboratory boundary

  9. Computational Study on Atomic Structures, Electronic Properties, and Chemical Reactions at Surfaces and Interfaces and in Biomaterials

    Science.gov (United States)

    Takano, Yu; Kobayashi, Nobuhiko; Morikawa, Yoshitada

    2018-06-01

    Through computer simulations using atomistic models, it is becoming possible to calculate the atomic structures of localized defects or dopants in semiconductors, chemically active sites in heterogeneous catalysts, nanoscale structures, and active sites in biological systems precisely. Furthermore, it is also possible to clarify physical and chemical properties possessed by these nanoscale structures such as electronic states, electronic and atomic transport properties, optical properties, and chemical reactivity. It is sometimes quite difficult to clarify these nanoscale structure-function relations experimentally and, therefore, accurate computational studies are indispensable in materials science. In this paper, we review recent studies on the relation between local structures and functions for inorganic, organic, and biological systems by using atomistic computer simulations.

  10. Computed gray levels in multislice and cone-beam computed tomography.

    Science.gov (United States)

    Azeredo, Fabiane; de Menezes, Luciane Macedo; Enciso, Reyes; Weissheimer, Andre; de Oliveira, Rogério Belle

    2013-07-01

    Gray level is the range of shades of gray in the pixels, representing the x-ray attenuation coefficient that allows for tissue density assessments in computed tomography (CT). An in-vitro study was performed to investigate the relationship between computed gray levels in 3 cone-beam CT (CBCT) scanners and 1 multislice spiral CT device using 5 software programs. Six materials (air, water, wax, acrylic, plaster, and gutta-percha) were scanned with the CBCT and CT scanners, and the computed gray levels for each material at predetermined points were measured with OsiriX Medical Imaging software (Geneva, Switzerland), OnDemand3D (CyberMed International, Seoul, Korea), E-Film (Merge Healthcare, Milwaukee, Wis), Dolphin Imaging (Dolphin Imaging & Management Solutions, Chatsworth, Calif), and InVivo Dental Software (Anatomage, San Jose, Calif). The repeatability of these measurements was calculated with intraclass correlation coefficients, and the gray levels were averaged to represent each material. Repeated analysis of variance tests were used to assess the differences in gray levels among scanners and materials. There were no differences in mean gray levels with the different software programs. There were significant differences in gray levels between scanners for each material evaluated (P <0.001). The software programs were reliable and had no influence on the CT and CBCT gray level measurements. However, the gray levels might have discrepancies when different CT and CBCT scanners are used. Therefore, caution is essential when interpreting or evaluating CBCT images because of the significant differences in gray levels between different CBCT scanners, and between CBCT and CT values. Copyright © 2013 American Association of Orthodontists. Published by Mosby, Inc. All rights reserved.

  11. Methods for Computing Accurate Atomic Spin Moments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials.

    Science.gov (United States)

    Manz, Thomas A; Sholl, David S

    2011-12-13

    The partitioning of electron spin density among atoms in a material gives atomic spin moments (ASMs), which are important for understanding magnetic properties. We compare ASMs computed using different population analysis methods and introduce a method for computing density derived electrostatic and chemical (DDEC) ASMs. Bader and DDEC ASMs can be computed for periodic and nonperiodic materials with either collinear or noncollinear magnetism, while natural population analysis (NPA) ASMs can be computed for nonperiodic materials with collinear magnetism. Our results show Bader, DDEC, and (where applicable) NPA methods give similar ASMs, but different net atomic charges. Because they are optimized to reproduce both the magnetic field and the chemical states of atoms in a material, DDEC ASMs are especially suitable for constructing interaction potentials for atomistic simulations. We describe the computation of accurate ASMs for (a) a variety of systems using collinear and noncollinear spin DFT, (b) highly correlated materials (e.g., magnetite) using DFT+U, and (c) various spin states of ozone using coupled cluster expansions. The computed ASMs are in good agreement with available experimental results for a variety of periodic and nonperiodic materials. Examples considered include the antiferromagnetic metal organic framework Cu3(BTC)2, several ozone spin states, mono- and binuclear transition metal complexes, ferri- and ferro-magnetic solids (e.g., Fe3O4, Fe3Si), and simple molecular systems. We briefly discuss the theory of exchange-correlation functionals for studying noncollinear magnetism. A method for finding the ground state of systems with highly noncollinear magnetism is introduced. We use these methods to study the spin-orbit coupling potential energy surface of the single molecule magnet Fe4C40H52N4O12, which has highly noncollinear magnetism, and find that it contains unusual features that give a new interpretation to experimental data.

  12. Sputtering of copper atoms by keV atomic and molecular ions A comparison of experiment with analytical and computer based models

    CERN Document Server

    Gillen, D R; Goelich,

    2002-01-01

    Non-resonant multiphoton ionisation combined with quadrupole and time-of-flight analysis has been used to measure energy distributions of sputtered copper atoms. The sputtering of a polycrystalline copper target by 3.6 keV Ar sup + , N sup + and CF sub 2 sup + and 1.8 keV N sup + and CF sub 2 sup + ion bombardment at 45 deg. has been investigated. The linear collision model in the isotropic limit fails to describe the high energy tail of the energy distributions. However the TRIM.SP computer simulation has been shown to provide a good description. The results indicate that an accurate description of sputtering by low energy, molecular ions requires the use of computer simulation rather than analytical approaches. This is particularly important when considering plasma-surface interactions in plasma etching and deposition systems.

  13. The control of superluminal group velocity in a system equivalent to the Y-type four-level atomic system

    International Nuclear Information System (INIS)

    Li Luming; Guo Hong; Xiao Feng; Peng Xiang; Chen Xuzong

    2005-01-01

    We study a new way to control the superluminal group velocity of light pulse in hot atomic gases with the five-level atomic configuration. The model of an equivalent Y-type four-level is applied and shows that the light goes faster by using an additional incoherent pumping field. The experiment is performed and shows in good agreement with our theoretical predictions

  14. Regional Diagnostic Reference Levels and Collective Effective Doses from Computed Tomography (CT) Scanners in India

    International Nuclear Information System (INIS)

    Livingstone, R.S.; Dinakaran, P.M.

    2011-01-01

    Diagnostic examinations performed using computed tomography (CT) are on the increase, and the use of this modality needs to be monitored periodically. The aim of this study was to formulate regional diagnostic reference levels (DRLs) and assess collective effective doses from CT scanners in Tamil Nadu, India. In-site CT dose measurements were performed for 127 CT scanners in Tamil Nadu as a part of the Atomic Energy Regulatory Board (AERB) funded project for a period of two years. Regional DRLs were formulated at third quartile level for three CT protocols such as thorax, abdomen and pelvis and were found to be 557 mGy.cm, 521 mGy.cm and 294 mGy.cm, respectively. The collective effective dose in Tamil Nadu was found to be 14.93 man Sv per day. (author)

  15. Four shells atomic model to computer the counting efficiency of electron-capture nuclides

    International Nuclear Information System (INIS)

    Grau Malonda, A.; Fernandez Martinez, A.

    1985-01-01

    The present paper develops a four-shells atomic model in order to obtain the efficiency of detection in liquid scintillation courting, Mathematical expressions are given to calculate the probabilities of the 229 different atomic rearrangements so as the corresponding effective energies. This new model will permit the study of the influence of the different parameters upon the counting efficiency for nuclides of high atomic number. (Author) 7 refs

  16. Direct Identification of Atomic-Like Electronic Levels in InAs Nano crystal Quantum Dots

    International Nuclear Information System (INIS)

    Millo, O.; Katz, D.

    1999-01-01

    The size dependent level structure of InAs nano crystals in the range 2-7 nm in diameter is investigated using both tunneling and optical spectroscopies. The tunneling measurements are performed using a cryogenic scanning tunneling microscope on individual nano crystals that, are attached to a gold substrate via dithiol molecules. The tunneling I-V characteristics manifest an interplay between single electron charging and quantum size effects. We are able to directly identify quantum confined states of isolated InAs nano crystals having s and p symmetries. These states are observed in the I-V curves as two and six-fold single electron charging multiplets. Excellent agreement is found between the strongly allowed optical transitions [1] and the spacing of levels detected in the tunneling experiment. This correlation provides new information on the quantum-dot level structure, from which we conclude that the top-most valence band state has both s and p characteristics. The interplay between level structure singles electron charging of the nano crystals obeys an atomic-like Aufbau sequential electron level occupation

  17. Normal blood magnesium levels in volunteers of Rawalpindi by atomic absorption absorption technique

    International Nuclear Information System (INIS)

    Ahmed, I.; Rehman, S.; Yawar, W.; Rusheed, A.; Ahraf, M.; Syed, N.H.

    1999-01-01

    Magnesium levels in whole blood samples of 67 healthy volunteers (mean 6.46 -+ 0.221; range 1.345 - 13.163 mg/dL) of Rawalpindi district have been determined by flame atomic absorption spectrophotometric method. Magnesium levels of 41 male and 26 female subjects including doctors, nurses, patients attendees, medical students, sweepers and peons of Rawalpindi Medical College and Rawalpindi General Hospital revealed the normal mean blood levels of 6.088 - + 0.258 mg/dL (range 1.345 - 10.679 mg/dL)and 7.060 -+ 0.375 mg/dL (range 4.495 - 13.163 mg/dL),P<0.05 respectively. Only 10 male volunteers were smokers exhibiting 6.768 -+ 0.558 mg/dL (range 4.466 -10.679 mg/dL). Significant relationship was found in magnesium levels between males and females of poor socio-economic group (P<0.05). No relationship occurred between male smokers and non-smokers and magnesium levels in the age groups of males or females or both, when data was compared by 't' test. (author)

  18. Allowable Residual Contamination Levels in soil for decommissioning the Shippingport Atomic Power Station site

    International Nuclear Information System (INIS)

    Kennedy, W.E. Jr.; Napier, B.A.; Soldat, J.K.

    1983-09-01

    As part of decommissioning the Shippingport Atomic Power Station, a fundamental concern is the determination of Allowable Residual Contamination Levels (ARCL) for radionuclides in the soil at the site. The ARCL method described in this report is based on a scenario/exposure-pathway analysis and compliance with an annual dose limit for unrestricted use of the land after decommissioning. In addition to naturally occurring radionuclides and fallout from weapons testing, soil contamination could potentially come from five other sources. These include operation of the Shippingport Station as a pressurized water reactor, operations of the Shippingport Station as a light-water breeder, operation of the nearby Beaver Valley reactors, releases during decommissioning, and operation of other nearby industries, including the Bruce-Mansfield coal-fired power plants. ARCL values are presented for 29 individual radionculides and a worksheet is provided so that ARCL values can be determined for any mixture of the individual radionuclides for any annual dose limit selected. In addition, a worksheet is provided for calculating present time soil concentration value that will decay to the ARCL values after any selected period of time, such as would occur during a period of restricted access. The ARCL results are presented for both unconfined (surface) and confined (subsurface) soil contamination. The ARCL method and results described in this report provide a flexible means of determining unrestricted-use site release conditions after decommissioning the Shippingport Atomic Power Station

  19. Amyloid Fibril Polymorphism: Almost Identical on the Atomic Level, Mesoscopically Very Different.

    Science.gov (United States)

    Seuring, Carolin; Verasdonck, Joeri; Ringler, Philippe; Cadalbert, Riccardo; Stahlberg, Henning; Böckmann, Anja; Meier, Beat H; Riek, Roland

    2017-03-02

    Amyloid polymorphism of twisted and straight β-endorphin fibrils was studied by negative-stain transmission electron microscopy, scanning transmission electron microscopy, and solid-state nuclear magnetic resonance spectroscopy. Whereas fibrils assembled in the presence of salt formed flat, striated ribbons, in the absence of salt they formed mainly twisted filaments. To get insights into their structural differences at the atomic level, 3D solid-state NMR spectra of both fibril types were acquired, allowing the detection of the differences in chemical shifts of 13 C and 15 N atoms in both preparations. The spectral fingerprints and therefore the chemical shifts are very similar for both fibril types. This indicates that the monomer structure and the molecular interfaces are almost the same but that these small differences do propagate to produce flat and twisted morphologies at the mesoscopic scale. This finding is in agreement with both experimental and theoretical considerations on the assembly of polymers (including amyloids) under different salt conditions, which attribute the mesoscopic difference of flat versus twisted fibrils to electrostatic intermolecular repulsions.

  20. Dynamics of gas-surface interactions atomic-level understanding of scattering processes at surfaces

    CERN Document Server

    Díez Muniño, Ricardo

    2013-01-01

    This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level u...

  1. Computer simulation of local atomic displacements in alloys. Application to Guinier-Preston zones in Al-Cu

    International Nuclear Information System (INIS)

    Kyobu, J.; Murata, Y.; Morinaga, M.

    1994-01-01

    A new computer program has been developed for the simulation of local atomic displacements in alloys with face-centered-cubic and body-centered-cubic lattices. The combined use of this program with the Gehlen-Cohen program for the simulation of chemical short-range order completely describes atomic fluctuations in alloys. The method has been applied to the structural simulation of Guinier-Preston (GP) zones in an Al-Cu alloy, using the experimental data of Matsubara and Cohen. Characteristic displacements of atoms have been observed around the GP zones and new structural models including local displacements have been proposed for a single-layer zone and several multilayer zones. (orig.)

  2. Intermediate-Level Knowledge in Child-Computer Interaction

    DEFF Research Database (Denmark)

    Barendregt, Wolmet; Torgersson, Olof; Eriksson, Eva

    2017-01-01

    Based on an analysis of all papers at IDC from 2003 to 2016 this paper urges the Child-Computer Interaction (CCI) field to start formulating intermediate-level knowledge, in the form of e.g. strong concepts. Our analysis showed that 40% of all papers at the Interaction Design and Children...... conference presents the design of an artefact accompanied by an evaluation (to which we will refer as 'artefact-centered' papers). While exploring the design space in the form of artefacts is important and valuable, it can be argued that those artefact-centered papers generally make a smaller contribution...... to the field as a whole, which is also visible in the number of citations to such papers in comparison to the number of citations to other kinds of papers. As a first step towards more intermediate-level knowledge, we have thus attempted to formulate and ground three suggestions for strong concepts in CCI...

  3. FPGA based compute nodes for high level triggering in PANDA

    International Nuclear Information System (INIS)

    Kuehn, W; Gilardi, C; Kirschner, D; Lang, J; Lange, S; Liu, M; Perez, T; Yang, S; Schmitt, L; Jin, D; Li, L; Liu, Z; Lu, Y; Wang, Q; Wei, S; Xu, H; Zhao, D; Korcyl, K; Otwinowski, J T; Salabura, P

    2008-01-01

    PANDA is a new universal detector for antiproton physics at the HESR facility at FAIR/GSI. The PANDA data acquisition system has to handle interaction rates of the order of 10 7 /s and data rates of several 100 Gb/s. FPGA based compute nodes with multi-Gb/s bandwidth capability using the ATCA architecture are designed to handle tasks such as event building, feature extraction and high level trigger processing. Data connectivity is provided via optical links as well as multiple Gb Ethernet ports. The boards will support trigger algorithms such us pattern recognition for RICH detectors, EM shower analysis, fast tracking algorithms and global event characterization. Besides VHDL, high level C-like hardware description languages will be considered to implement the firmware

  4. QSPIN: A High Level Java API for Quantum Computing Experimentation

    Science.gov (United States)

    Barth, Tim

    2017-01-01

    QSPIN is a high level Java language API for experimentation in QC models used in the calculation of Ising spin glass ground states and related quadratic unconstrained binary optimization (QUBO) problems. The Java API is intended to facilitate research in advanced QC algorithms such as hybrid quantum-classical solvers, automatic selection of constraint and optimization parameters, and techniques for the correction and mitigation of model and solution errors. QSPIN includes high level solver objects tailored to the D-Wave quantum annealing architecture that implement hybrid quantum-classical algorithms [Booth et al.] for solving large problems on small quantum devices, elimination of variables via roof duality, and classical computing optimization methods such as GPU accelerated simulated annealing and tabu search for comparison. A test suite of documented NP-complete applications ranging from graph coloring, covering, and partitioning to integer programming and scheduling are provided to demonstrate current capabilities.

  5. Studies of energy levels and lifetimes in neutral and ionized light atoms

    International Nuclear Information System (INIS)

    Huldt, S.

    1980-05-01

    The spectrum of singly ionized Titanium has been analysed by photographic spectral recordings of the light from a hollow- cathod. 1240 classified lines in the region 1200 A - 11000 A and 202 term values are reported. Lifetimes of the 3p 5 5p levels in neutral Argon have been measured by the High-frequency-Deflection technique considering the trapping of radiation from the excited 3p 5 4s level. Energy levels and lifetimes of excited states have been studied with the beam-foil method for selected ions in the atomic number range 7 - 30. Influence of transition probabilities caused by hyper-fine interaction for low members of the Helium iso-electronic sequence i verified. The oscillator strength for the inter-combination transition ls 2 1S 0 -1s3p 3 p 1 is measured in Beryllium-like Nitrogen, Oxygen and Fluorine. Accurate determinations of lifetimes for some of the lowest excited levels in Si I - Si IV and Zn II are reported. A large fraction of circularly polarized light is seen in the 0 VI n=6-7 hydrogenic transition when a 4 MeV beam of oxygen was passed through a tilted carbon foil. (author)

  6. The energy levels and oscillator strength of a complex atom--Au50+ in a self-consistent potential

    International Nuclear Information System (INIS)

    Feng Rong; Zou Yu; Fang Quanyu

    1998-01-01

    The effects of free electrons in a plasma on a complex atom are discussed, here the authors are interested in the target ion--Au 50+ in inertia confined fusion (ICF). The results are compared with those in the case of hydrogenic ions. Accurate numerical solutions have been obtained for Schroedinger's equation through Debye screened Hartree-Fock-Slater self-consistent potential. Solutions have been computed for 28 eigenstates, 1s through n =3D 7, l =3D 6, yielding the energy eigenvalues for a wide range of Debye screening length Λ. As in the case of hydrogenic ions, under screening, all energy levels are shifted away from their unscreened values toward the continuum, that is, the ionization limits are shifted downward. Conclusions have been made that when Λ>5a 0 , that is, in the weak screening cases, Debye screening has little effect on oscillator strength, average orbital radius, transition matrix elements, etc., of Au 50+ . For each (n,l) eigenstate, there is a finite value of screening length Λ 0 (n,l), for which the energy becomes zero. When Λ is sufficiently small, level crossing appears at high n states. Optical oscillator strength for Au 50+ has also been calculated, the results are compared with those under unscreened potential

  7. Perovskite Solar Cells: From the Atomic Level to Film Quality and Device Performance.

    Science.gov (United States)

    Saliba, Michael; Correa-Baena, Juan-Pablo; Grätzel, Michael; Hagfeldt, Anders; Abate, Antonio

    2018-03-01

    Organic-inorganic perovskites have made tremendous progress in recent years due to exceptional material properties such as high panchromatic absorption, charge carrier diffusion lengths, and a sharp optical band edge. The combination of high-quality semiconductor performance with low-cost deposition techniques seems to be a match made in heaven, creating great excitement far beyond academic ivory towers. This is particularly true for perovskite solar cells (PSCs) that have shown unprecedented gains in efficiency and stability over a time span of just five years. Now there are serious efforts for commercialization with the hope that PSCs can make a major impact in generating inexpensive, sustainable solar electricity. In this Review, we will focus on perovskite material properties as well as on devices from the atomic to the thin film level to highlight the remaining challenges and to anticipate the future developments of PSCs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Monitoring of lead levels in spices and food colors using atomic absorption spectroscopy

    International Nuclear Information System (INIS)

    Rahman, S.; Khalid, N.; Ahmad, S.

    2001-01-01

    The concentration of lead has been monitored in various commercial brands of spices and food colours using atomic absorption spectrometry after digestion in a mixture of nitric acid and perchloric acid. The reliability of the procedure used was checked by analyzing the standard reference materials namely wheat flour (NBS-1567) and rice flour (NBS-1568), for their lead contents. The determined concentration of lead ranged from 5.60 to 10.12 mg g-1 in food spices and from 1.62 to 1.81 mg g-1 in food colours. The study revealed that the piper nigrum contains higher lead contents as compared to capsicum. The effect of processing/milling on the concentration of lead in spices was also studied and discussed. The daily intake of lead by adults through spices and food colours was estimated and was found to be within the recommended WHO tolerance levels. (author)

  9. Resonance Fluorescence of a Trapped Four-Level Atom with Bichromatic Driving

    International Nuclear Information System (INIS)

    Bergou, J.; Jakob, M.; Abranyos, Y.

    1999-01-01

    The resonance fluorescence spectrum of a bichromatically driven four-level atom is polarization dependent. Very narrow lines occur in the incoherent parts of the spectrum for polarization directions which are different from that of the driving fields. The degree of squeezing has a maximum of 56% which should make it easily observable. The second-order correlation function exhibits anti bunching for zero time delay and strong super bunching for certain values of the interaction parameter and time delay. For these parameters resonant two-photon emission takes place in the form of polarization entangled photon pairs. The system can be a novel source of photons in the EPR and/or Bell states. Some experiments will be proposed which make use of this unique source. (Authors)

  10. Studies of high-level radioactive waste form performance at Japan Atomic Energy Research Institute

    International Nuclear Information System (INIS)

    Banba, Tsunetaka; Kamizono, Hiroshi; Mitamura, Hisayoshi

    1992-02-01

    The recent studies of high-level radioactive waste form at Japan Atomic Energy Research Institute can be classified into the following three categories; (1) Study on the leaching behavior of the nuclear waste glass placing the focus on the alteration layer and the chemical composition of leachant for the prediction of the long-term corrosion of the waste glass. (2) Study on the radiation (alpha-radiation) effects which have relation to the long-term stability of the nuclear waste glass. (3) Study on the long-term self-irradiation damage of a SYNROC waste form using a curium-doped sample. In the present report, the recent results corresponding to the above categories are described. (author)

  11. Semiclassical interaction between monochromatic electromagnetic radiation and an atom with two unstable levels; some fallacious works by Kamenov-Bonchev

    International Nuclear Information System (INIS)

    Romashev, Yu. A.; Skorobogatov, G.A.

    1999-01-01

    The solution of the time-dependent Hamiltonian for the classical dipole interaction of a two-level atom with a monochromatic electromagnetic wave is presented. Both atomic energy levels are assumed to be unstable. The amplitudes and probabilities of transitions between the energy levels as well as the cross-sections of resonance absorption and induced emission are obtained explicitly. It is shown that in both stationary and nonstationary limits the instability of the lower level does not lead to a differential cross section of induced emission larger than those obtained from the Breit-Wigner formula in the standard collision theory. (authors)

  12. Position-dependent energy-level shifts of an accelerated atom in the presence of a boundary

    International Nuclear Information System (INIS)

    Zhu Zhiying; Yu Hongwei

    2010-01-01

    We consider a uniformly accelerated atom interacting with a vacuum electromagnetic field in the presence of an infinite conducting plane boundary and calculate separately the contributions of vacuum fluctuations and radiation reaction to the atomic energy-level shift. We analyze in detail the behavior of the total energy shift in three different regimes of the distance in both the low-acceleration and high-acceleration limits. Our results show that, in general, an accelerated atom does not behave as if immersed in a thermal bath at the Unruh temperature in terms of the atomic energy-level shifts, and the effect of the acceleration on the atomic energy-level shifts may in principle become appreciable in certain circumstances, although it may not be realistic for actual experimental measurements. We also examine the effects of the acceleration on the level shifts when the acceleration is of the order of the transition frequency of the atom and we find some features which differ from what was obtained in the existing literature.

  13. Investigating the atomic level influencing factors of glass forming ability in NiAl and CuZr metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Sedighi, Sina; Kirk, Donald Walter; Singh, Chandra Veer, E-mail: chandraveer.singh@utoronto.ca; Thorpe, Steven John [Department of Materials Science and Engineering, University of Toronto, Room 140, 184 College Street, Toronto, Ontario M5S 3E4 (Canada)

    2015-09-21

    Bulk metallic glasses are a relatively new class of amorphous metal alloy which possess unique mechanical and magnetic properties. The specific concentrations and combinations of alloy elements needed to prevent crystallization during melt quenching remains poorly understood. A correlation between atomic properties that can explain some of the previously identified glass forming ability (GFA) anomalies of the NiAl and CuZr systems has been identified, with these findings likely extensible to other transition metal–transition metal and transition metal–metalloid (TM–M) alloy classes as a whole. In this work, molecular dynamics simulation methods are utilized to study thermodynamic, kinetic, and structural properties of equiatomic CuZr and NiAl metallic glasses in an attempt to further understand the underlying connections between glass forming ability, nature of atomic level bonding, short and medium range ordering, and the evolution of structure and relaxation properties in the disordered phase. The anomalous breakdown of the fragility parameter as a useful GFA indicator in TM–M alloy systems is addressed through an in-depth investigation of bulk stiffness properties and the evolution of (pseudo)Gruneisen parameters over the quench domain, with the efficacy of other common glass forming ability indicators similarly being analyzed through direct computation in respective CuZr and NiAl systems. Comparison of fractional liquid-crystal density differences in the two systems revealed 2-3 times higher values for the NiAl system, providing further support for its efficacy as a general purpose GFA indicator.

  14. Lead determination at ng/mL level by flame atomic absorption spectrometry using a tantalum coated slotted quartz tube atom trap.

    Science.gov (United States)

    Demirtaş, İlknur; Bakırdere, Sezgin; Ataman, O Yavuz

    2015-06-01

    Flame atomic absorption spectrometry (FAAS) still keeps its importance despite the relatively low sensitivity; because it is a simple and economical technique for determination of metals. In recent years, atom traps have been developed to increase the sensitivity of FAAS. Although the detection limit of FAAS is only at the level of µg/mL, with the use of atom traps it can reach to ng/mL. Slotted quartz tube (SQT) is one of the atom traps used to improve sensitivity. In atom trapping mode of SQT, analyte is trapped on-line in SQT for few minutes using ordinary sample aspiration, followed by the introduction of a small volume of organic solvent to effect the revolatilization and atomization of analyte species resulting in a transient signal. This system is economical, commercially available and easy to use. In this study, a sensitive analytical method was developed for the determination of lead with the help of SQT atom trapping flame atomization (SQT-AT-FAAS). 574 Fold sensitivity enhancement was obtained at a sample suction rate of 3.9 mL/min for 5.0 min trapping period with respect to FAAS. Organic solvent was selected as 40 µL of methyl isobutyl ketone (MIBK). To obtain a further sensitivity enhancement inner surface of SQT was coated with several transition metals. The best sensitivity enhancement, 1650 fold enhancement, was obtained by the Ta-coated SQT-AT-FAAS. In addition, chemical nature of Pb species trapped on quartz and Ta surface, and the chemical nature of Ta on quartz surface were investigated by X-ray photoelectron spectroscopy (XPS) and Raman Spectroscopy. Raman spectrometric results indicate that tantalum is coated on SQT surface in the form of Ta2O5. XPS studies revealed that the oxidation state of Pb in species trapped on both bare and Ta coated SQT surfaces is +2. For the accuracy check, the analyses of standard reference material were performed by use of SCP SCIENCE EnviroMAT Low (EU-L-2) and results for Pb were to be in good agreement with

  15. Generation of long-living entanglement between two distant three-level atoms in non-Markovian environments.

    Science.gov (United States)

    Li, Chuang; Yang, Sen; Song, Jie; Xia, Yan; Ding, Weiqiang

    2017-05-15

    In this paper, a scheme for the generation of long-living entanglement between two distant Λ-type three-level atoms separately trapped in two dissipative cavities is proposed. In this scheme, two dissipative cavities are coupled to their own non-Markovian environments and two three-level atoms are driven by the classical fields. The entangled state between the two atoms is produced by performing Bell state measurement (BSM) on photons leaving the dissipative cavities. Using the time-dependent Schördinger equation, we obtain the analytical results for the evolution of the entanglement. It is revealed that, by manipulating the detunings of classical field, the long-living stationary entanglement between two atoms can be generated in the presence of dissipation.

  16. Computer programs in BASIC language for graphite furnace atomic absorption using the method of additions. Part 1. Operating instructions

    International Nuclear Information System (INIS)

    Boyle, W.G. Jr.; Ryan, D.P.

    1979-01-01

    These instructions describe how to use BASIC language programs to process data from atomic absorption spectrophotometers using the graphite furnace and the method of additions calibration technique. The instructions cover loading the programs, responding to computer prompts, choosing among various options for processing the data, performing operations with an automatic sampler, and producing reports. How the programs interact with each other is also explained. Examples of computer/operator dialogue are presented for typical cases. In addition, a concise set of operating instructions is included as an appendix

  17. Development of a personal computer based facility-level SSAC component and inspector support system

    International Nuclear Information System (INIS)

    Markov, A.

    1989-08-01

    Research Contract No. 4658/RB was conducted between the IAEA and the Bulgarian Committee on Use of Atomic Energy for Peaceful Purposes. The contract required the Committee to develop and program a personal computer based software package to be used as a facility-level computerized State System of Accounting and Control (SSAC) at an off-load power reactor. The software delivered, called the National Safeguards System (NSS) keeps track of all fuel assembly activity at a power reactor and generates all ledgers, MBA material balances and any required reports to national or international authorities. The NSS is designed to operate on a PC/AT or compatible equipment with a hard disk of 20 MB, color graphics monitor or adaptor and at least one floppy disk drive, 360 Kb. The programs are written in Basic (compiler 2.0). They are executed under MS DOS 3.1 or later

  18. Non-Markovian decay of a three-level cascade atom in a structured reservoir

    International Nuclear Information System (INIS)

    Dalton, B.J.; Garraway, B.M.

    2003-01-01

    The dynamics of a three-level atom in a cascade (or ladder) configuration with both transitions coupled to a single structured reservoir of quantized electromagnetic field modes is treated using Laplace transform methods applied to the coupled amplitude equations. In this system two-photon excitation of the reservoir occurs, and both sequences for emitting the two photons are allowed and included in the theory. An integral equation is found to govern the complex amplitudes of interest. It is shown that the dynamics of the atomic system is completely determined in terms of reservoir structure functions, which are products of the mode density with the coupling constant squared. This dependence on reservoir structure functions rather than on the mode density or coupling constants alone, shows that it may be possible to extend pseudomode theory to treat multiphoton excitation of a structured reservoir--pseudomodes being introduced in one-one correspondence with the poles of reservoir structure functions in the complex frequency plane. A general numerical method for solving the integral equations based on discretizing frequency space, and applicable to different structured reservoirs such as high-Q cavities and photonic band-gap systems, is presented. An application to a high-Q-cavity case with identical Lorentzian reservoir structure functions is made, and the non-Markovian decay of the excited state shown. A formal solution to the integral equations in terms of right and left eigenfunctions of a non-Hermitian kernel is also given. The dynamics of the cascade atom, with the two transitions coupled to two separate structured reservoirs of quantized electromagnetic field modes, is treated similarly to the single structured reservoir situation. Again the dynamics only depends on reservoir structure functions. As only one sequence of emitting the two photons now occurs, the integral equation for the amplitudes can be solved analytically. The non-Markovian decay of the

  19. Internship training in computer science: Exploring student satisfaction levels.

    Science.gov (United States)

    Jaradat, Ghaith M

    2017-08-01

    The requirement of employability in the job market prompted universities to conduct internship training as part of their study plans. There is a need to train students on important academic and professional skills related to the workplace with an IT component. This article describes a statistical study that measures satisfaction levels among students in the faculty of Information Technology and Computer Science in Jordan. The objective of this study is to explore factors that influence student satisfaction with regards to enrolling in an internship training program. The study was conducted to gather student perceptions, opinions, preferences and satisfaction levels related to the program. Data were collected via a mixed method survey (surveys and interviews) from student-respondents. The survey collects demographic and background information from students, including their perception of faculty performance in the training poised to prepare them for the job market. Findings from this study show that students expect internship training to improve their professional and personal skills as well as to increase their workplace-related satisfaction. It is concluded that improving the internship training is crucial among the students as it is expected to enrich their experiences, knowledge and skills in the personal and professional life. It is also expected to increase their level of confidence when it comes to exploring their future job opportunities in the Jordanian market. Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. Absorption spectrum of a two-level atom in a bad cavity with injected squeezed vacuum

    Science.gov (United States)

    Zhou, Peng; Swain, S.

    1996-02-01

    We study the absorption spectrum of a coherently driven two-level atom interacting with a resonant cavity mode which is coupled to a broadband squeezed vacuum through its input-output mirror in the bad cavity limit. We study the modification of the two-photon correlation strength of the injected squeezed vacuum inside the cavity, and show that the equations describing probe absorption in the cavity environment are formally identical to these in free space, but with modified parameters describing the squeezed vacuum. The two photon correlations induced by the squeezed vacuum are always weaker than in free space. We pay particular attention to the spectral behaviour at line centre in the region of intermediate trength driving intensities, where anomalous spectral features such as hole-burning and dispersive profiles are displayed. These unusual spectral features are very sensitive to the squeezing phase and the Rabi frequency of the driving field. We also derive the threshold value of the Rabi frequency which gives rise to the transparency of the probe beam at the driving frequency. When the Rabi frequency is less than the threshold value, the probe beam is absorbed, whilst the probe beam is amplified (without population inversion under certain conditions) when the Rabi frequency is larger than this threshold. The anomalous spectral features all take place in the vicinity of the critical point dividing the different dynamical regimes, probe absorption and amplification, of the atomic radiation. The physical origin of the strong amplification without population inversion, and the feasibility of observing it, are discussed.

  1. A three-level atomicity model for decentralized workflow management systems

    Science.gov (United States)

    Ben-Shaul, Israel Z.; Heineman, George T.

    1996-12-01

    A workflow management system (WFMS) employs a workflow manager (WM) to execute and automate the various activities within a workflow. To protect the consistency of data, the WM encapsulates each activity with a transaction; a transaction manager (TM) then guarantees the atomicity of activities. Since workflows often group several activities together, the TM is responsible for guaranteeing the atomicity of these units. There are scalability issues, however, with centralized WFMSs. Decentralized WFMSs provide an architecture for multiple autonomous WFMSs to interoperate, thus accommodating multiple workflows and geographically-dispersed teams. When atomic units are composed of activities spread across multiple WFMSs, however, there is a conflict between global atomicity and local autonomy of each WFMS. This paper describes a decentralized atomicity model that enables workflow administrators to specify the scope of multi-site atomicity based upon the desired semantics of multi-site tasks in the decentralized WFMS. We describe an architecture that realizes our model and execution paradigm.

  2. Ionization Spectroscopic Measurement of nP Rydberg Levels of 87Rb Cold Atoms

    Science.gov (United States)

    Li, Yufan; Zaheeruddin, Syed; Zhao, Dongmei; Ma, Xinwen; Yang, Jie

    2018-05-01

    We created an ultracold plasma via the spontaneous ionization of cold dense Rydberg atoms of 87Rb in a magneto-optical trap (MOT), and measured the nS1/2 (n = 50-80), nP1/2 (n = 16-23), nP3/2 (n = 16-98), and nD5/2 (n = 49-96) Rydberg levels by detecting the electrons in the ultracold plasma. By fitting the energy levels of Rydberg states, the first ionization potential of 33690.950(11) cm-1 and the quantum defects of S, P, and D orbitals were obtained. The absolute transition energies of nS1/2 (n = 66-80), nP1/2 (n = 16-23), nP3/2 (n = 16-98), and nD5/2 (n = 58-96) states of 87Rb, as well as the quantum defects for p1/2 and p3/2 series, are given for the first time.

  3. Localization and force analysis at the single virus particle level using atomic force microscopy

    International Nuclear Information System (INIS)

    Liu, Chih-Hao; Horng, Jim-Tong; Chang, Jeng-Shian; Hsieh, Chung-Fan; Tseng, You-Chen; Lin, Shiming

    2012-01-01

    Highlights: ► Localization of single virus particle. ► Force measurements. ► Force mapping. -- Abstract: Atomic force microscopy (AFM) is a vital instrument in nanobiotechnology. In this study, we developed a method that enables AFM to simultaneously measure specific unbinding force and map the viral glycoprotein at the single virus particle level. The average diameter of virus particles from AFM images and the specificity between the viral surface antigen and antibody probe were integrated to design a three-stage method that sets the measuring area to a single virus particle before obtaining the force measurements, where the influenza virus was used as the object of measurements. Based on the purposed method and performed analysis, several findings can be derived from the results. The mean unbinding force of a single virus particle can be quantified, and no significant difference exists in this value among virus particles. Furthermore, the repeatability of the proposed method is demonstrated. The force mapping images reveal that the distributions of surface viral antigens recognized by antibody probe were dispersed on the whole surface of individual virus particles under the proposed method and experimental criteria; meanwhile, the binding probabilities are similar among particles. This approach can be easily applied to most AFM systems without specific components or configurations. These results help understand the force-based analysis at the single virus particle level, and therefore, can reinforce the capability of AFM to investigate a specific type of viral surface protein and its distributions.

  4. The new protection level of the atomic energy law; Das neue Schutzniveau des Atomgesetzes

    Energy Technology Data Exchange (ETDEWEB)

    Ziehm, Cornelia [Deutsche Umwelthilfe e.V. (DUH), Berlin (Germany). Klimaschutz und Energiewende

    2011-07-01

    The atomic energy law is determining the normative basis for best possible danger prevention and hazard control in accordance with the actual state-of-the art of science and technology. This is not only essential for the legal licensing procedures but also for atomic energy authorities. With the introduction of paragraph 7d into the German atomic energy law in the frame of revision 12 essential protection requirements and retrofitting measures will be withdrawn from the danger prevention in the sense of the atomic energy law and thus the third party protection.

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  6. Dynamics of entanglement of a three-level atom in motion interacting with two coupled modes including parametric down conversion

    Science.gov (United States)

    Faghihi, M. J.; Tavassoly, M. K.; Hatami, M.

    In this paper, a model by which we study the interaction between a motional three-level atom and two-mode field injected simultaneously in a bichromatic cavity is considered; the three-level atom is assumed to be in a Λ-type configuration. As a result, the atom-field and the field-field interaction (parametric down conversion) will be appeared. It is shown that, by applying a canonical transformation, the introduced model can be reduced to a well-known form of the generalized Jaynes-Cummings model. Under particular initial conditions, which may be prepared for the atom and the field, the time evolution of state vector of the entire system is analytically evaluated. Then, the dynamics of atom by considering ‘atomic population inversion’ and two different measures of entanglement, i.e., ‘von Neumann entropy’ and ‘idempotency defect’ is discussed, in detail. It is deduced from the numerical results that, the duration and the maximum amount of the considered physical quantities can be suitably tuned by selecting the proper field-mode structure parameter p and the detuning parameters.

  7. CO2 electroreduction performance of a single transition metal atom supported on porphyrin-like graphene: a computational study.

    Science.gov (United States)

    Wang, Zhongxu; Zhao, Jingxiang; Cai, Qinghai

    2017-08-30

    Searching for low-cost, efficient, and stable electrocatalysts for CO 2 electroreduction (CO 2 ER) reactions is highly desirable for the reduction of CO 2 emission and its conversion into useful products, but remains a great challenge. In this work, single transition metal atoms supported on porphyrin-like graphene catalysts, i.e., TMN 4 /graphene, acting as electrocatalysts for CO 2 reduction were explored by means of comprehensive density functional theory (DFT) computations. Our results revealed that these anchored TM atoms possess high stability due to their strong hybridization with the unsaturated N atoms of the substrate and function as the active sites. On the basis of the calculated adsorption strength of CO 2 ER intermediates, we have identified that single Co, Rh, and Ir atoms exhibit superior catalytic activity towards CO 2 reduction. In particular, CH 3 OH is the preferred product of CO 2 ER on the CoN 4 /graphene catalyst with an overpotential of 0.59 V, while the RhN 4 /graphene and IrN 4 /graphene catalysts prefer to reduce CO 2 to CH 2 O with an overpotential of 0.35 and 0.29 V, respectively. Our work may open a new avenue for the development of catalytic materials with high efficiency for CO 2 electroreduction.

  8. In-situ environmental (scanning) transmission electron microscopy of catalysts at the atomic level

    International Nuclear Information System (INIS)

    Gai, P L; Boyes, E D

    2014-01-01

    Observing reacting single atoms on the solid catalyst surfaces under controlled reaction conditions is a key goal in understanding and controlling heterogeneous catalytic reactions. In-situ real time aberration corrected environmental (scanning) transmission electron microscopy (E(S)TEM permit the direct imaging of dynamic surface and sub-surface structures of reacting catalysts. In this paper in-situ AC ETEM and AC ESTEM studies under controlled reaction environments of oxide catalysts and supported metal nanocatalysts important in chemical industry are presented. They provide the direct evidence of dynamic processes at the oxide catalyst surface at the atomic scale and single atom dynamics in catalytic reactions. The ESTEM studies of single atom dynamics in controlled reaction environments show that nanoparticles act as reservoirs of ad-atoms. The results have important implications in catalysis and nanoparticle studies

  9. A computational study on tuning the field emission and electronic properties of BN nanocones by impurity atom doping

    Science.gov (United States)

    Ahmadi, S.; Delir Kheirollahi Nezhad, P.; Hosseinian, A.; Vessally, E.

    2018-06-01

    We have inspected the effect of substituting a boron or nitrogen atom of a BN nanocone (BNNC) by two impurity atoms with lower and higher atomic numbers based on the density functional theory calculations. Our results explain the experimental observations in a molecular level. Orbital and partial density of states analyses show that the doping processes increase the electrical conductivity by creating new states within the gap of BNNC as follows: BeB > ON > CB > CN. The electron emission current from the surface of BNNC is improved after the CB and BeB dopings, and it is decreased by CN and ON dopings. The BeB and CN dopings make the BNNC a p-type semiconductor and the CB and ON dopings make it an n-type one in good agreement with the experimental results. The ON and BeB doping processes are suggested for the field emission current, and electrical conductivity enhancement, respectively.

  10. MARLOWE 15b, Computer Simulation of Atomic Collisions in Crystalline Solids

    International Nuclear Information System (INIS)

    2007-01-01

    1 - Description of problem or function: The MARLOWE program simulates atomic collisions in crystalline targets using the binary collision approximation. It follows out the consequences of launching an energetic atomic projectile, from either an external beam or an interior site, into a target. The targets may have many material regions, each with its own arbitrary (triclinic) crystal structure and with many kinds of atoms. The program follows the slowing-down of the primary particle and, if desired, that of all target particles which are displaced from their lattice sites, until they either leave the target or fall below a selected low kinetic energy. All cascades may be initiated in undamaged material or damage may be accumulated from one cascade to another; cascades may be run in groups of a selected size. The User's Guide contains a detailed listing of changes in Version 15 and a summary of changes in earlier versions. Version 15b of MARLOWE, dated 5 December 2002, includes some error corrections for the previous release. The new package includes Version 3 of TABULA, a program which uses MARLOWE interatomic potential energy functions to tabulate the classical elastic scattering integrals and related data. News about Marlowe will be posted on the developer's web site from time-to-time http://www.ssd.ornl.gov/Programs/Marlowe/Marlowe.htm. 2 - Method of solution: The particle trajectories are constructed as series of binary encounters between the projectiles and the initially stationary target atoms. Elastic scattering is governed by one of several interatomic potentials. The interactions which bind atoms into crystals are modelled by including binding energies between atoms and their original lattice sites as well as binding to the entire crystal. Inelastic (electron excitation) effects are included in a low-energy (< ∼25 keV/amu) approximation. Provision is made for users to supply alternative interatomic potential functions, inelastic energy-loss functions

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

    International Nuclear Information System (INIS)

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

    2000-01-01

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

  12. Alcohol-Binding Sites in Distinct Brain Proteins: The Quest for Atomic Level Resolution

    Science.gov (United States)

    Howard, Rebecca J.; Slesinger, Paul A.; Davies, Daryl L.; Das, Joydip; Trudell, James R.; Harris, R. Adron

    2011-01-01

    Defining the sites of action of ethanol on brain proteins is a major prerequisite to understanding the molecular pharmacology of this drug. The main barrier to reaching an atomic-level understanding of alcohol action is the low potency of alcohols, ethanol in particular, which is a reflection of transient, low-affinity interactions with their targets. These mechanisms are difficult or impossible to study with traditional techniques such as radioligand binding or spectroscopy. However, there has been considerable recent progress in combining X-ray crystallography, structural modeling, and site-directed mutagenesis to define the sites and mechanisms of action of ethanol and related alcohols on key brain proteins. We review such insights for several diverse classes of proteins including inwardly rectifying potassium, transient receptor potential, and neurotransmit-ter-gated ion channels, as well as protein kinase C epsilon. Some common themes are beginning to emerge from these proteins, including hydrogen bonding of the hydroxyl group and van der Waals interactions of the methylene groups of ethanol with specific amino acid residues. The resulting binding energy is proposed to facilitate or stabilize low-energy state transitions in the bound proteins, allowing ethanol to act as a “molecular lubricant” for protein function. We discuss evidence for characteristic, discrete alcohol-binding sites on protein targets, as well as evidence that binding to some proteins is better characterized by an interaction region that can accommodate multiple molecules of ethanol. PMID:21676006

  13. Crises-induced intermittencies in a coherently driven system of two-level atoms

    International Nuclear Information System (INIS)

    Pando L, C.L.; Perez, G.; Cerdeira, H.A.

    1993-04-01

    We study the coherent dynamics of a thin layer of two-level atoms driven by an external coherent field and a phase conjugated mirror (PCM). Since the variables of the system are defined on the Bloch sphere, the third dimension is provided by the temporal modulation of the Rabi frequencies, which are induced by a PCM which reflects an electric field with a carrier frequency different from the incident one. We show that as the PCM gain coefficient is changed period doubling leading to chaos occurs. We find crises of attractor merging and attractor widening types related to homoclinic and heteroclinic tangencies respectively. For the attractor merging crises we find the critical exponent for the characteristic time of intermittency versus the control parameter which is given by the gain coefficient of the PCM. We show that during the crises of attractor widening type, another crisis due to attractor destruction occurs as the control parameter is changed. The latter is due to the collision of the old attractor with its basin boundary when a new attractor is created. This new attractor is stable only in a very small interval in the neighborhood of this second crisis. (author). 31 refs, 15 figs

  14. Level population measurements on analyte atom and ion excited states in the inductively coupled plasma

    International Nuclear Information System (INIS)

    Walker, Z.H.; Blades, M.W.

    1986-01-01

    During the past decade a number of publications dealing with fundamental studies of the inductively coupled plasma (ICP) have appeared in the literature. The purpose of many of these investigations has been to understand the nature of the interaction between the plasma gas and the analyte. The general conclusion drawn from these studies has been that the ICP is very close to Local Thermodynamic Equilibrium (LTE), but that some deviations from LTE do occur. Recent studies by the authors' have been directed towards the measurement of analyte atom and ion excited state level populations with the objective of obtaining a better understanding of both ionization and excitation in the ICP discharge and the extent to which such processes contribute to a non-equilibrium state. Further discussion is drawn from similar measurements made on elements with low ionization potentials, such as Barium, as well as on elements such as Iron in the presence of Easily Ionizable Elements (EIE's). The spatial and power dependences of such measurements are also discussed

  15. 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)

  16. 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

  17. DelPhi web server v2: incorporating atomic-style geometrical figures into the computational protocol.

    Science.gov (United States)

    Smith, Nicholas; Witham, Shawn; Sarkar, Subhra; Zhang, Jie; Li, Lin; Li, Chuan; Alexov, Emil

    2012-06-15

    A new edition of the DelPhi web server, DelPhi web server v2, is released to include atomic presentation of geometrical figures. These geometrical objects can be used to model nano-size objects together with real biological macromolecules. The position and size of the object can be manipulated by the user in real time until desired results are achieved. The server fixes structural defects, adds hydrogen atoms and calculates electrostatic energies and the corresponding electrostatic potential and ionic distributions. The web server follows a client-server architecture built on PHP and HTML and utilizes DelPhi software. The computation is carried out on supercomputer cluster and results are given back to the user via http protocol, including the ability to visualize the structure and corresponding electrostatic potential via Jmol implementation. The DelPhi web server is available from http://compbio.clemson.edu/delphi_webserver.

  18. Atomic-level structure and structure-property relationship in metallic glass

    Science.gov (United States)

    Cheng, Yongqiang

    One of the key tasks in material science is to understand the structure and structure-property relationship. The recently emerging bulk metallic glasses (BMGs) have demonstrated unique properties, especially intriguing mechanical properties such as their high strength and high propensity to localize deformation in shear bands. However, a comprehensive understanding of the structure of BMGs has been hindered by the complexity of these amorphous materials. Even more challenging is the structure-property correlation, which has been well established in crystals but has been seriously lacking for BMGs. This thesis presents a systematic study of the atomic-level structures of two representative BMGs, Cu-Zr and Cu-Zr-Al. The interpenetrating Cu-centered icosahedral clusters have been identified to be the primary structural feature. The fraction of icosahedra increases with increasing Cu or Al contents, and with decreasing cooling rate. The effect of Al in improving the icosahedral order is two-fold: the geometric effect due to the atomic-size mismatch and the chemical effect originated from the Cu-Al bond shortening. The resolved structure is used to study the structure-property relationship. The full icosahedra are found to be responsible for the dynamical slowdown of the supercooled liquid, which underlies the non-Arrhenius behavior, and explains the composition dependence of glass transition temperature, glass forming ability, and the room temperature strength. By simulated deformation, the initiation of plasticity and tendency for strain localization are also investigated. The full icosahedra are found to be the most rigid and resistant cluster with solid-like character, while the unstable clusters with liquid-like character serve as the fertile sites for initiating shear transformations. In addition, the elastic moduli are calculated and analyzed, and the origins of the different configurational dependence of shear modulus (G) and bulk modulus ( B) are explained. The

  19. A Computer-Controlled Classroom Model of an Atomic Force Microscope

    Science.gov (United States)

    Engstrom, Tyler A.; Johnson, Matthew M.; Eklund, Peter C.; Russin, Timothy J.

    2015-01-01

    The concept of "seeing by feeling" as a way to circumvent limitations on sight is universal on the macroscopic scale--reading Braille, feeling one's way around a dark room, etc. The development of the atomic force microscope (AFM) in 1986 extended this concept to imaging in the nanoscale. While there are classroom demonstrations that use…

  20. Theory and computation of the matrix elements of the full interaction of the electromagnetic field with an atomic state: Application to the Rydberg and the continuous spectrum

    International Nuclear Information System (INIS)

    Komninos, Yannis; Mercouris, Theodoros; Nicolaides, Cleanthes A.

    2002-01-01

    We develop practical formulas for the calculation of the matrix elements of the interaction of the electromagnetic field with an atomic state, beyond the long-wavelength approximation. The atom-plus-field Hamiltonian is chosen to have the multipolar form, containing the electric, paramagnetic, and diamagnetic operators. The final workable expressions include the interactions to all orders and are derived by first expanding the fields in partial waves. The electric-field operator reaches a constant value as the radial variable becomes large, contrary to the result of the electric-dipole approximation (EDA) where the value of the corresponding operator increases indefinitely. Applications are given for Rydberg states of hydrogen up to n=50 and for free-free transitions in a Coulomb potential. Such matrix elements are relevant to a number of real and virtual processes occurring during laser-atom interactions. The computation is done numerically, using a combination of analytic with numerical techniques. By comparing the results of the EDA with those of the exact treatment, it is shown that the former is inadequate in such cases. This finding has repercussions on the theory and understanding of the physics of quantum systems in high-lying Rydberg levels and wave packets or in scattering states

  1. Localization and force analysis at the single virus particle level using atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chih-Hao [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Horng, Jim-Tong [Department of Biochemistry, Chang Gung University, 259 Wen-Hwa First Road, Kweishan, Taoyuan 333, Taiwan (China); Chang, Jeng-Shian [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Hsieh, Chung-Fan [Graduate Institute of Biomedical Sciences, Chang Gung University, Kweishan, Taoyuan 333, Taiwan (China); Tseng, You-Chen [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Lin, Shiming, E-mail: til@ntu.edu.tw [Institute of Applied Mechanics, Nation Taiwan University, Roosevelt Road, Taipei 10617, Taiwan (China); Center for Optoelectronic Biomedicine, College of Medicine, Nation Taiwan University, 1-1 Jen-Ai Road, Taipei 10051, Taiwan (China)

    2012-01-06

    Highlights: Black-Right-Pointing-Pointer Localization of single virus particle. Black-Right-Pointing-Pointer Force measurements. Black-Right-Pointing-Pointer Force mapping. -- Abstract: Atomic force microscopy (AFM) is a vital instrument in nanobiotechnology. In this study, we developed a method that enables AFM to simultaneously measure specific unbinding force and map the viral glycoprotein at the single virus particle level. The average diameter of virus particles from AFM images and the specificity between the viral surface antigen and antibody probe were integrated to design a three-stage method that sets the measuring area to a single virus particle before obtaining the force measurements, where the influenza virus was used as the object of measurements. Based on the purposed method and performed analysis, several findings can be derived from the results. The mean unbinding force of a single virus particle can be quantified, and no significant difference exists in this value among virus particles. Furthermore, the repeatability of the proposed method is demonstrated. The force mapping images reveal that the distributions of surface viral antigens recognized by antibody probe were dispersed on the whole surface of individual virus particles under the proposed method and experimental criteria; meanwhile, the binding probabilities are similar among particles. This approach can be easily applied to most AFM systems without specific components or configurations. These results help understand the force-based analysis at the single virus particle level, and therefore, can reinforce the capability of AFM to investigate a specific type of viral surface protein and its distributions.

  2. Ar39 Detection at the 10-16 Isotopic Abundance Level with Atom Trap Trace Analysis

    Science.gov (United States)

    Jiang, W.; Williams, W.; Bailey, K.; Davis, A. M.; Hu, S.-M.; Lu, Z.-T.; O'Connor, T. P.; Purtschert, R.; Sturchio, N. C.; Sun, Y. R.; Mueller, P.

    2011-03-01

    Atom trap trace analysis, a laser-based atom counting method, has been applied to analyze atmospheric Ar39 (half-life=269yr), a cosmogenic isotope with an isotopic abundance of 8×10-16. In addition to the superior selectivity demonstrated in this work, the counting rate and efficiency of atom trap trace analysis have been improved by 2 orders of magnitude over prior results. The significant applications of this new analytical capability lie in radioisotope dating of ice and water samples and in the development of dark matter detectors.

  3. Control of spontaneous emission from a microwave-field-driven four-level atom in an anisotropic photonic crystal

    Science.gov (United States)

    Zhang, Duo; Li, Jiahua; Ding, Chunling; Yang, Xiaoxue

    2012-05-01

    The spontaneous emission properties of a microwave-field-driven four-level atom embedded in anisotropic double-band photonic crystals (PCs) are investigated. We discuss the influences of the band-edge positions, Rabi frequency and detuning of the microwave field on the emission spectrum. It is found that several interesting features such as spectral-line enhancement, spectral-line suppression, spectral-line overlap, and multi-peak structures can be observed in the spectra. The proposed scheme can be achieved by use of a microwave-coupled field into hyperfine levels in rubidium atom confined in a photonic crystal. These theoretical investigations may provide more degrees of freedom to manipulate the atomic spontaneous emission.

  4. Wigner functions for nonclassical states of a collection of two-level atoms

    Science.gov (United States)

    Agarwal, G. S.; Dowling, Jonathan P.; Schleich, Wolfgang P.

    1993-01-01

    The general theory of atomic angular momentum states is used to derive the Wigner distribution function for atomic angular momentum number states, coherent states, and squeezed states. These Wigner functions W(theta,phi) are represented as a pseudo-probability distribution in spherical coordinates theta and phi on the surface of a sphere of radius the square root of j(j +1) where j is the total angular momentum.

  5. Computer programs in BASIC language for graphite furnace atomic absorption using the method of additions. Part 2. Documentation

    International Nuclear Information System (INIS)

    Boyle, W.G. Jr.; Ryan, D.P.

    1979-08-01

    There are four computer programs, written in the BASIC language, used for taking and processing data from an atomic absorption spectrophotometer using the graphite furnace and the method of additions for calibration. The programs chain to each other and are divided into logical sections that have been flow-charted. The chaining sequences, general features, structure, order of subroutines and functions, and the storage of data are discussed. In addition, variables are listed and defined, and a complete listing of each program with a symbol occurrence table is provided

  6. Identifying the Computer Competency Levels of Recreation Department Undergraduates

    Science.gov (United States)

    Zorba, Erdal

    2011-01-01

    Computer-based and web-based applications are as major instructional tools to increase undergraduates' motivation at school. In the recreation field usage of, computer and the internet based recreational applications has become more prevalent in order to present visual and interactive entertainment activities. Recreation department undergraduates…

  7. Teaching Concept Mapping and University Level Study Strategies Using Computers.

    Science.gov (United States)

    Mikulecky, Larry; And Others

    1989-01-01

    Assesses the utility and effectiveness of three interactive computer programs and associated print materials in instructing and modeling for undergraduates how to comprehend and reconceptualize scientific textbook material. Finds that "how to" reading strategies can be taught via computer and transferred to new material. (RS)

  8. Open quantum systems and the two-level atom interacting with a single mode of the electromagnetic field

    International Nuclear Information System (INIS)

    Sandulescu, A.; Stefanescu, E.

    1987-07-01

    On the basis of Lindblad theory of open quantum systems we obtain new optical equations for the system of two-level atom interacting with a single mode of the electromagnetic field. The conventional Block equations in a generalized form with field phases are obtained in the hypothesis that all the terms are slowly varying in the rotating frame.(authors)

  9. Computation of electron-impact K-shell ionization cross sections of atoms

    International Nuclear Information System (INIS)

    Uddin, M.A.; Haque, A.K.F.; Billah, M. Masum; Basak, A.K.; Karim, K.R.; Saha, B.C.

    2005-01-01

    The total cross sections of electron impact single K-shell ionization of atomic targets, with a wide range of atomic numbers from Z=6-50, are evaluated in the energy range up to about 10 MeV employing the recently proposed modified version of the improved binary-encounter dipole (RQIBED) model [Uddin et al., Phys. Rev. A 70, 032706 (2004)], which incorporates the ionic and relativistic effects. The experimental cross sections for all targets are reproduced satisfactorily even in the relativistic energies using fixed generic values of the two parameters in the RQIBED model. The relativistic effect is found to be significant in all targets except for C, being profound in Ag and Sn

  10. Computer simulation of interstitial atom loop with vacancies in gamma-iron lattice

    International Nuclear Information System (INIS)

    Golubov, S.I.; Doronina, V.I.; Kaipetskaya, E.N.

    1985-01-01

    The interaction of vacanies and a dislocation loop has been investigated by the mashine stimulation method. The calculations have been performed by the variation method using the Jonson pair potential for gamma-iron. The interaction of a vacancy and a loop of interstitial atoms in the form of a regular hexagon has been investigated. The results obtained are compared with calculations in the elastic approximation

  11. Rovibrational coupling in molecular nitrogen at high temperature: An atomic-level study

    Energy Technology Data Exchange (ETDEWEB)

    Valentini, Paolo, E-mail: vale0142@umn.edu; Norman, Paul, E-mail: norma198@umn.edu; Zhang, Chonglin, E-mail: zhang993@umn.edu; Schwartzentruber, Thomas E., E-mail: schwart@aem.umn.edu [Department of Aerospace Engineering and Mechanics, College of Science and Engineering, University of Minnesota, Minneapolis, Minnesota 55455 (United States)

    2014-05-15

    This article contains an atomic-level numerical investigation of rovibrational relaxation in molecular nitrogen at high temperature (>4000 K), neglecting dissociation. We conduct our study with the use of pure Molecular Dynamics (MD) and Classical Trajectory Calculations (CTC) Direct Simulation Monte Carlo (DSMC), verified to produce statistically identical results at the conditions of interest here. MD and CTC DSMC solely rely on the specification of a potential energy surface: in this work, the site-site Ling-Rigby potential. Additionally, dissociation is prevented by modeling the N–N bond either as a harmonic or an anharmonic spring. The selected molecular model was shown to (i) recover the shear viscosity (obtained from equilibrium pure MD Green-Kubo calculations) of molecular nitrogen over a wide range of temperatures, up to dissociation; (ii) predict well the near-equilibrium rotational relaxation behavior of N{sub 2}; (iii) reproduce vibrational relaxation times in excellent accordance with the Millikan-White correlation and previous semi-classical trajectory calculations in the low temperature range, i.e., between 4000 K and 10 000 K. By simulating isothermal relaxations in a periodic box, we found that the traditional two-temperature model assumptions become invalid at high temperatures (>10 000 K), due to a significant coupling between rotational and vibrational modes for bound states. This led us to add a modification to both the Jeans and the Landau-Teller equations to include a coupling term, essentially described by an additional relaxation time for internal energy equilibration. The degree of anharmonicity of the N{sub 2} bond determines the strength of the rovibrational coupling. Although neglecting N{sub 2} dissociation only provides a partial description of a nitrogen system at very high temperatures, high-energy trends for bound-bound transitions are essential to understand nonequilibrium gas flows, with possible implications on rovibration

  12. Rovibrational coupling in molecular nitrogen at high temperature: An atomic-level study

    International Nuclear Information System (INIS)

    Valentini, Paolo; Norman, Paul; Zhang, Chonglin; Schwartzentruber, Thomas E.

    2014-01-01

    This article contains an atomic-level numerical investigation of rovibrational relaxation in molecular nitrogen at high temperature (>4000 K), neglecting dissociation. We conduct our study with the use of pure Molecular Dynamics (MD) and Classical Trajectory Calculations (CTC) Direct Simulation Monte Carlo (DSMC), verified to produce statistically identical results at the conditions of interest here. MD and CTC DSMC solely rely on the specification of a potential energy surface: in this work, the site-site Ling-Rigby potential. Additionally, dissociation is prevented by modeling the N–N bond either as a harmonic or an anharmonic spring. The selected molecular model was shown to (i) recover the shear viscosity (obtained from equilibrium pure MD Green-Kubo calculations) of molecular nitrogen over a wide range of temperatures, up to dissociation; (ii) predict well the near-equilibrium rotational relaxation behavior of N 2 ; (iii) reproduce vibrational relaxation times in excellent accordance with the Millikan-White correlation and previous semi-classical trajectory calculations in the low temperature range, i.e., between 4000 K and 10 000 K. By simulating isothermal relaxations in a periodic box, we found that the traditional two-temperature model assumptions become invalid at high temperatures (>10 000 K), due to a significant coupling between rotational and vibrational modes for bound states. This led us to add a modification to both the Jeans and the Landau-Teller equations to include a coupling term, essentially described by an additional relaxation time for internal energy equilibration. The degree of anharmonicity of the N 2 bond determines the strength of the rovibrational coupling. Although neglecting N 2 dissociation only provides a partial description of a nitrogen system at very high temperatures, high-energy trends for bound-bound transitions are essential to understand nonequilibrium gas flows, with possible implications on rovibration

  13. Maximum coherent superposition state achievement using a non-resonant pulse train in non-degenerate three-level atoms

    International Nuclear Information System (INIS)

    Deng, Li; Niu, Yueping; Jin, Luling; Gong, Shangqing

    2010-01-01

    The coherent superposition state of the lower two levels in non-degenerate three-level Λ atoms is investigated using the accumulative effects of non-resonant pulse trains when the repetition period is smaller than the decay time of the upper level. First, using a rectangular pulse train, the accumulative effects are re-examined in the non-resonant two-level atoms and the modified constructive accumulation equation is analytically given. The equation shows that the relative phase and the repetition period are important in the accumulative effect. Next, under the modified equation in the non-degenerate three-level Λ atoms, we show that besides the constructive accumulation effect, the use of the partial constructive accumulation effect can also achieve the steady state of the maximum coherent superposition state of the lower two levels and the latter condition is relatively easier to manipulate. The analysis is verified by numerical calculations. The influence of the external levels in such a case is also considered and we find that it can be avoided effectively. The above analysis is also applicable to pulse trains with arbitrary envelopes.

  14. Molecular Processes Studied at a Single-Molecule Level Using DNA Origami Nanostructures and Atomic Force Microscopy

    Directory of Open Access Journals (Sweden)

    Ilko Bald

    2014-09-01

    Full Text Available DNA origami nanostructures allow for the arrangement of different functionalities such as proteins, specific DNA structures, nanoparticles, and various chemical modifications with unprecedented precision. The arranged functional entities can be visualized by atomic force microscopy (AFM which enables the study of molecular processes at a single-molecular level. Examples comprise the investigation of chemical reactions, electron-induced bond breaking, enzymatic binding and cleavage events, and conformational transitions in DNA. In this paper, we provide an overview of the advances achieved in the field of single-molecule investigations by applying atomic force microscopy to functionalized DNA origami substrates.

  15. Selective Deflection of Polarized Light Via Coherently Driven Four-Level Atoms in a Double-Λ Configuration

    International Nuclear Information System (INIS)

    Guo Yu

    2010-01-01

    We study the interaction of a weak probe field, having two circular polarized components, i.e., σ - and σ + polarization, with an optically dense medium of four-level atoms in a double-Λ configuration, which is mediated by the electromagnetically induced transparency with a polarized control light with spatially inhomogeneous profile. We analyse the deflection of the polarized probe light and we find that we can selectively determine which circular component will be deflected after the polarized probe light enters the atom medium via adjusting the polarization and detuning of the control field. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  16. Entropy squeezing for a two-level atom in two-mode Raman coupled model with intrinsic decoherence

    Institute of Scientific and Technical Information of China (English)

    Zhang Jian; Shao Bin; Zou Jian

    2009-01-01

    In this paper,we investigate the entropy squeezing for a two-level atom interacting with two quantized fields through Raman coupling.We obtain the dynamical evolution of the total system under the influence of intrinsic decoherence when the two quantized fields are prepared in a two-mode squeezing vacuum state initially.The effects of the field squeezing factor,the two-level atomic transition frequency,the second field frequency and the intrinsic decoherence on the entropy squeezing are discussed.Without intrinsic decoherence,the increase of field squeezing factor can break the entropy squeezing.The two-level atomic transition frequency changes only the period of oscillation but not the strength of entropy squeezing.The influence of the second field frequency is complicated.With the intrinsic decoherence taken into consideration,the results show that the stronger the intrinsic decoherence is,the more quickly the entropy squeezing will disappear.The increase of the atomic transition frequency can hasten the disappearance of entropy squeezing.

  17. Entropy squeezing for a two-level atom in two-mode Raman coupled model with intrinsic decoherence

    International Nuclear Information System (INIS)

    Jian, Zhang; Bin, Shao; Jian, Zou

    2009-01-01

    In this paper, we investigate the entropy squeezing for a two-level atom interacting with two quantized fields through Raman coupling. We obtain the dynamical evolution of the total system under the influence of intrinsic decoherence when the two quantized fields are prepared in a two-mode squeezing vacuum state initially. The effects of the field squeezing factor, the two-level atomic transition frequency, the second field frequency and the intrinsic decoherence on the entropy squeezing are discussed. Without intrinsic decoherence, the increase of field squeezing factor can break the entropy squeezing. The two-level atomic transition frequency changes only the period of oscillation but not the strength of entropy squeezing. The influence of the second field frequency is complicated. With the intrinsic decoherence taken into consideration, the results show that the stronger the intrinsic decoherence is, the more quickly the entropy squeezing will disappear. The increase of the atomic transition frequency can hasten the disappearance of entropy squeezing. (classical areas of phenomenology)

  18. Quantum correlations between each two-level system in a pair of atoms and general coherent fields

    Directory of Open Access Journals (Sweden)

    S. Abdel-Khalek

    Full Text Available The quantitative description of the quantum correlations between each two-level system in a two-atom system and the coherent fields initially defined in a coherent state in the framework of power-law potentials (PLPCSs is considered. Specifically, we consider two atoms locally interacting with PLPCSs and take into account the different terms of interactions, the entanglement and quantum discord are studied including the time-dependent coupling and photon transition effects. Using the monogamic relation between the entanglement of formation and quantum discord in tripartite systems, we show that the control and preservation of the different kinds of quantum correlations greatly benefit from the combination of the choice of the physical quantities. Finally, we explore the link between the dynamical behavior of quantum correlations and nonclassicality of the fields with and without atomic motion effect. Keywords: Quantum correlations, Monogamic relation, Coherent states, Power-law potentials, Wehrl entropy

  19. Dynamic evolution of double Λ five-level atom interacting with one-mode electromagnetic cavity field

    Science.gov (United States)

    Abdel-Wahab, N. H.; Salah, Ahmed

    2017-12-01

    In this paper, the model describing a double Λ five-level atom interacting with a single mode electromagnetic cavity field in the (off) non-resonate case is studied. We obtained the constants of motion for the considered model. Also, the state vector of the wave function is given by using the Schrödinger equation when the atom is initially prepared in its excited state. The dynamical evolutions for the collapse revivals, the antibunching of photons and the field squeezing phenomena are investigated when the field is considered in a coherent state. The influence of detuning parameters on these phenomena is investigated. We noticed that the atom-field properties are influenced by changing the detuning parameters. The investigation of these aspects by numerical simulations is carried out using the Quantum Toolbox in Python (QuTip).

  20. Polymorphous Computing Architecture (PCA) Kernel-Level Benchmarks

    National Research Council Canada - National Science Library

    Lebak, J

    2004-01-01

    .... "Computation" aspects include floating-point and integer performance, as well as the memory hierarchy, while the "communication" aspects include the network, the memory hierarchy, and the 110 capabilities...

  1. Optomechanically induced transparency in multi-cavity optomechanical system with and without one two-level atom.

    Science.gov (United States)

    Sohail, Amjad; Zhang, Yang; Zhang, Jun; Yu, Chang-Shui

    2016-06-28

    We analytically study the optomechanically induced transparency (OMIT) in the N-cavity system with the Nth cavity driven by pump, probing laser fields and the 1st cavity coupled to mechanical oscillator. We also consider that one atom could be trapped in the ith cavity. Instead of only illustrating the OMIT in such a system, we are interested in how the number of OMIT windows is influenced by the cavities and the atom and what roles the atom could play in different cavities. In the resolved sideband regime, we find that, the number of cavities precisely determines the maximal number of OMIT windows. It is interesting that, when the two-level atom is trapped in the even-labeled cavity, the central absorptive peak (odd N) or dip (even N) is split and forms an extra OMIT window, but if the atom is trapped in the odd-labeled cavity, the central absorptive peak (odd N) or dip (even N) is only broadened and thus changes the width of the OMIT windows rather than induces an extra window.

  2. Tripartite entanglement dynamics and entropic squeezing of a three-level atom interacting with a bimodal cavity field

    Science.gov (United States)

    Faghihi, M. J.; Tavassoly, M. K.; Bagheri Harouni, M.

    2014-04-01

    In this paper, we study the interaction between a Λ-type three-level atom and two quantized electromagnetic fields which are simultaneously injected in a bichromatic cavity surrounded by a Kerr medium in the presence of field-field interaction (parametric down conversion) and detuning parameters. By applying a canonical transformation, the introduced model is reduced to a well-known form of the generalized Jaynes-Cummings model. Under particular initial conditions which may be prepared for the atom and the field, the time evolution of the state vector of the entire system is analytically evaluated. Then, the dynamics of the atom is studied through the evolution of the atomic population inversion. In addition, two different measures of entanglement between the tripartite system (three entities make the system: two field modes and one atom), i.e., von Neumann and linear entropy are investigated. Also, two kinds of entropic uncertainty relations, from which entropy squeezing can be obtained, are discussed. In each case, the influences of the detuning parameters and Kerr medium on the above nonclassicality features are analyzed in detail via numerical results. It is illustrated that the amount of the above-mentioned physical phenomena can be tuned by choosing the evolved parameters, appropriately.

  3. Tripartite entanglement dynamics and entropic squeezing of a three-level atom interacting with a bimodal cavity field

    International Nuclear Information System (INIS)

    Faghihi, M J; Tavassoly, M K; Bagheri Harouni, M

    2014-01-01

    In this paper, we study the interaction between a Λ-type three-level atom and two quantized electromagnetic fields which are simultaneously injected in a bichromatic cavity surrounded by a Kerr medium in the presence of field–field interaction (parametric down conversion) and detuning parameters. By applying a canonical transformation, the introduced model is reduced to a well-known form of the generalized Jaynes–Cummings model. Under particular initial conditions which may be prepared for the atom and the field, the time evolution of the state vector of the entire system is analytically evaluated. Then, the dynamics of the atom is studied through the evolution of the atomic population inversion. In addition, two different measures of entanglement between the tripartite system (three entities make the system: two field modes and one atom), i.e., von Neumann and linear entropy are investigated. Also, two kinds of entropic uncertainty relations, from which entropy squeezing can be obtained, are discussed. In each case, the influences of the detuning parameters and Kerr medium on the above nonclassicality features are analyzed in detail via numerical results. It is illustrated that the amount of the above-mentioned physical phenomena can be tuned by choosing the evolved parameters, appropriately. (paper)

  4. Computer simulations of an oxygen inductively coupled plasma used for plasma-assisted atomic layer deposition

    International Nuclear Information System (INIS)

    Tinck, S; Bogaerts, A

    2011-01-01

    In this paper, an O 2 inductively coupled plasma used for plasma enhanced atomic layer deposition of Al 2 O 3 thin films is investigated by means of modeling. This work intends to provide more information about basic plasma properties such as species densities and species fluxes to the substrate as a function of power and pressure, which might be hard to measure experimentally. For this purpose, a hybrid model developed by Kushner et al is applied to calculate the plasma characteristics in the reactor volume for different chamber pressures ranging from 1 to 10 mTorr and different coil powers ranging from 50 to 500 W. Density profiles of the various oxygen containing plasma species are reported as well as fluxes to the substrate under various operating conditions. Furthermore, different orientations of the substrate, which can be placed vertically or horizontally in the reactor, are taken into account. In addition, special attention is paid to the recombination process of atomic oxygen on the different reactor walls under the stated operating conditions. From this work it can be concluded that the plasma properties change significantly in different locations of the reactor. The plasma density near the cylindrical coil is high, while it is almost negligible in the neighborhood of the substrate. Ion and excited species fluxes to the substrate are found to be very low and negligible. Finally, the orientation of the substrate has a minor effect on the flux of O 2 , while it has a significant effect on the flux of O. In the horizontal configuration, the flux of atomic oxygen can be up to one order of magnitude lower than in the vertical configuration.

  5. Atomic-level studies of superconducting YBa2Cu3O/sub 7-x/

    International Nuclear Information System (INIS)

    Kellogg, G.L.; Brenner, S.S.

    1987-01-01

    The transmission electron microscope, field ion microscope, and imaging atom-probe mass spectrometer have been used to examine the structure and composition of field-emitter ''tips'' prepared from hot-pressed samples of YBa 2 Cu 3 O/sub 7-x/. Transmission electron microscope images of the tip apex clearly show periodic defect structures which are interpreted as twins boundaries. Field ion microscope images reveal the structure of the samples in atomic resolution and indicate that the material can be field evaporated in a uniform, layer-by-layer fashion. Imaging atom-probe mass spectra contain signals corresponding to all of the constituent elements with intensities fairly consistent with the 1-2-3 ratio of the metals, but highly deficient in oxygen

  6. Ar-39 Detection at the 10^-16 Isotopic Abundance Level with Atom Trap Trace Analysis

    OpenAIRE

    Jiang, W.; Williams, W. D.; Bailey, K.; Davis, A. M.; Hu, S. -M.; Lu, Z. -T.; O'Connor, T. P.; Purtschert, R.; Sturchio, N. C.; Sun, Y. R.; Mueller, P.

    2011-01-01

    Atom Trap Trace Analysis (ATTA), a laser-based atom counting method, has been applied to analyze atmospheric Ar-39 (half-life = 269 yr), a cosmogenic isotope with an isotopic abundance of 8x10^-16. In addition to the superior selectivity demonstrated in this work, counting rate and efficiency of ATTA have been improved by two orders of magnitude over prior results. Significant applications of this new analytical capability lie in radioisotope dating of ice and water samples and in the develop...

  7. An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra

    Energy Technology Data Exchange (ETDEWEB)

    Goings, Joshua J.; Li, Xiaosong, E-mail: xsli@uw.edu [Department of Chemistry, University of Washington, Seattle, Washington 98195 (United States)

    2016-06-21

    One of the challenges of interpreting electronic circular dichroism (ECD) band spectra is that different states may have different rotatory strength signs, determined by their absolute configuration. If the states are closely spaced and opposite in sign, observed transitions may be washed out by nearby states, unlike absorption spectra where transitions are always positive additive. To accurately compute ECD bands, it is necessary to compute a large number of excited states, which may be prohibitively costly if one uses the linear-response time-dependent density functional theory (TDDFT) framework. Here we implement a real-time, atomic-orbital based TDDFT method for computing the entire ECD spectrum simultaneously. The method is advantageous for large systems with a high density of states. In contrast to previous implementations based on real-space grids, the method is variational, independent of nuclear orientation, and does not rely on pseudopotential approximations, making it suitable for computation of chiroptical properties well into the X-ray regime.

  8. Coping With Stress of Teacher Trainees With Different Levels of Computer Anxiety

    OpenAIRE

    Ceyhan, Esra

    2004-01-01

    The aim of this study is to examine whether levels and styles of coping with the stress of teacher trainees having low and high levels of computer anxiety across a number of variables. This research was carried out with 800 teacher trainees. Data were collected using the Computer Anxiety Scale, Coping With Stress Scale, and an Information Form. The results of the study indicate that the computer anxiety levels of teacher trainees differentiate levels and styles of coping with stress. It was f...

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

    Science.gov (United States)

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

    2018-01-01

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

  10. Calculation of high rydberg levels of atom Zn with the WBEPM theory

    International Nuclear Information System (INIS)

    Zheng, Nengwu; Li, Zhengquan; Fan, Jing; Ma, Dongxia; Zhou, Tao

    2002-01-01

    Within the weakest bound electron potential model theory, we treat the many-valance electron system of atom Zn single electron and use the extended martin's expression to determine parameters. The results are satisfying with deviations no more than 1cm -1 compared with the experimental values. (author)

  11. Rational use of cognitive resources: levels of analysis between the computational and the algorithmic.

    Science.gov (United States)

    Griffiths, Thomas L; Lieder, Falk; Goodman, Noah D

    2015-04-01

    Marr's levels of analysis-computational, algorithmic, and implementation-have served cognitive science well over the last 30 years. But the recent increase in the popularity of the computational level raises a new challenge: How do we begin to relate models at different levels of analysis? We propose that it is possible to define levels of analysis that lie between the computational and the algorithmic, providing a way to build a bridge between computational- and algorithmic-level models. The key idea is to push the notion of rationality, often used in defining computational-level models, deeper toward the algorithmic level. We offer a simple recipe for reverse-engineering the mind's cognitive strategies by deriving optimal algorithms for a series of increasingly more realistic abstract computational architectures, which we call "resource-rational analysis." Copyright © 2015 Cognitive Science Society, Inc.

  12. Proceedings of the international symposium on atomic, molecular, and condensed matter theory and computational methods

    International Nuclear Information System (INIS)

    Loewdin, Per-Olov; Oehrn, N.Y.; Sabin, J.R.; Zerner, M.C.

    1993-01-01

    After an introduction and a personal (World War II and postwar) retrospective by C.C.J. Roothaan, 69 papers are presented in fields of quantum biology, quantum chemistry, and condensed matter physics; topics covered include advanced scientific computing, interaction of photons and matter, quantum molecular dynamics, electronic structure methods, polymeric systems, and quantum chemical methods for extended systems. An author index is included

  13. Algorithms and computer codes for atomic and molecular quantum scattering theory

    International Nuclear Information System (INIS)

    Thomas, L.

    1979-01-01

    This workshop has succeeded in bringing up 11 different coupled equation codes on the NRCC computer, testing them against a set of 24 different test problems and making them available to the user community. These codes span a wide variety of methodologies, and factors of up to 300 were observed in the spread of computer times on specific problems. A very effective method was devised for examining the performance of the individual codes in the different regions of the integration range. Many of the strengths and weaknesses of the codes have been identified. Based on these observations, a hybrid code has been developed which is significantly superior to any single code tested. Thus, not only have the original goals been fully met, the workshop has resulted directly in an advancement of the field. All of the computer programs except VIVS are available upon request from the NRCC. Since an improved version of VIVS is contained in the hybrid program, VIVAS, it was not made available for distribution. The individual program LOGD is, however, available. In addition, programs which compute the potential energy matrices of the test problems are also available. The software library names for Tests 1, 2 and 4 are HEH2, LICO, and EN2, respectively

  14. Computer codes for level 1 probabilistic safety assessment

    International Nuclear Information System (INIS)

    1990-06-01

    Probabilistic Safety Assessment (PSA) entails several laborious tasks suitable for computer codes assistance. This guide identifies these tasks, presents guidelines for selecting and utilizing computer codes in the conduct of the PSA tasks and for the use of PSA results in safety management and provides information on available codes suggested or applied in performing PSA in nuclear power plants. The guidance is intended for use by nuclear power plant system engineers, safety and operating personnel, and regulators. Large efforts are made today to provide PC-based software systems and PSA processed information in a way to enable their use as a safety management tool by the nuclear power plant overall management. Guidelines on the characteristics of software needed for management to prepare a software that meets their specific needs are also provided. Most of these computer codes are also applicable for PSA of other industrial facilities. The scope of this document is limited to computer codes used for the treatment of internal events. It does not address other codes available mainly for the analysis of external events (e.g. seismic analysis) flood and fire analysis. Codes discussed in the document are those used for probabilistic rather than for phenomenological modelling. It should be also appreciated that these guidelines are not intended to lead the user to selection of one specific code. They provide simply criteria for the selection. Refs and tabs

  15. Atomic level insights into realistic molecular models of dendrimer-drug complexes through MD simulations

    Science.gov (United States)

    Jain, Vaibhav; Maiti, Prabal K.; Bharatam, Prasad V.

    2016-09-01

    Computational studies performed on dendrimer-drug complexes usually consider 1:1 stoichiometry, which is far from reality, since in experiments more number of drug molecules get encapsulated inside a dendrimer. In the present study, molecular dynamic (MD) simulations were implemented to characterize the more realistic molecular models of dendrimer-drug complexes (1:n stoichiometry) in order to understand the effect of high drug loading on the structural properties and also to unveil the atomistic level details. For this purpose, possible inclusion complexes of model drug Nateglinide (Ntg) (antidiabetic, belongs to Biopharmaceutics Classification System class II) with amine- and acetyl-terminated G4 poly(amidoamine) (G4 PAMAM(NH2) and G4 PAMAM(Ac)) dendrimers at neutral and low pH conditions are explored in this work. MD simulation analysis on dendrimer-drug complexes revealed that the drug encapsulation efficiency of G4 PAMAM(NH2) and G4 PAMAM(Ac) dendrimers at neutral pH was 6 and 5, respectively, while at low pH it was 12 and 13, respectively. Center-of-mass distance analysis showed that most of the drug molecules are located in the interior hydrophobic pockets of G4 PAMAM(NH2) at both the pH; while in the case of G4 PAMAM(Ac), most of them are distributed near to the surface at neutral pH and in the interior hydrophobic pockets at low pH. Structural properties such as radius of gyration, shape, radial density distribution, and solvent accessible surface area of dendrimer-drug complexes were also assessed and compared with that of the drug unloaded dendrimers. Further, binding energy calculations using molecular mechanics Poisson-Boltzmann surface area approach revealed that the location of drug molecules in the dendrimer is not the decisive factor for the higher and lower binding affinity of the complex, but the charged state of dendrimer and drug, intermolecular interactions, pH-induced conformational changes, and surface groups of dendrimer do play an

  16. Dynamical creation of entanglement versus disentanglement in a system of three-level atoms with vacuum-induced coherences

    Energy Technology Data Exchange (ETDEWEB)

    Derkacz, Lukasz [Institute of Theoretical Physics, University of Wroclaw, Plac Maxa Borna 9, 50-204 Wroclaw (Poland); Jakobczyk, Lech [Institute of Theoretical Physics, University of Wroclaw, Plac Maxa Borna 9, 50-204 Wroclaw (Poland)], E-mail: ljak@ift.uni.wroc.pl

    2008-12-08

    The dynamics of entanglement between three-level atoms coupled to the common vacuum is investigated. We show that the collective effects such as collective damping, dipole-dipole interaction and the cross coupling between orthogonal dipoles, play a crucial role in the process of creation of entanglement. In particular, the additional cross coupling enhances the production of entanglement. For the specific initial states we find that the effect of delayed sudden birth of entanglement, recently invented by Ficek and Tanas [Ficek, R. Tanas, Phys. Rev. A 77 (2008) 054301] in the case of two-level atoms, can also be observed in the system. When the initial state is entangled, the process of spontaneous emission causes destruction of correlations and its disentanglement. We show that the robustness of initial entanglement against the noise can be changed by local operations performed on the state.

  17. Algorithms and computer codes for atomic and molecular quantum scattering theory. Volume I

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, L. (ed.)

    1979-01-01

    The goals of this workshop are to identify which of the existing computer codes for solving the coupled equations of quantum molecular scattering theory perform most efficiently on a variety of test problems, and to make tested versions of those codes available to the chemistry community through the NRCC software library. To this end, many of the most active developers and users of these codes have been invited to discuss the methods and to solve a set of test problems using the LBL computers. The first volume of this workshop report is a collection of the manuscripts of the talks that were presented at the first meeting held at the Argonne National Laboratory, Argonne, Illinois June 25-27, 1979. It is hoped that this will serve as an up-to-date reference to the most popular methods with their latest refinements and implementations.

  18. Algorithms and computer codes for atomic and molecular quantum scattering theory. Volume I

    International Nuclear Information System (INIS)

    Thomas, L.

    1979-01-01

    The goals of this workshop are to identify which of the existing computer codes for solving the coupled equations of quantum molecular scattering theory perform most efficiently on a variety of test problems, and to make tested versions of those codes available to the chemistry community through the NRCC software library. To this end, many of the most active developers and users of these codes have been invited to discuss the methods and to solve a set of test problems using the LBL computers. The first volume of this workshop report is a collection of the manuscripts of the talks that were presented at the first meeting held at the Argonne National Laboratory, Argonne, Illinois June 25-27, 1979. It is hoped that this will serve as an up-to-date reference to the most popular methods with their latest refinements and implementations

  19. Computation of the hyperfine structure in the (α-μ- e-)0 atom

    International Nuclear Information System (INIS)

    Amusia, M.Ya.; Kuchiev, M.Ju.; Yakhontov, V.L.

    1983-01-01

    Computation of the ground-state hyperfine splitting of neutral muonic helium (α-μ - e - ) 0 has been carried out. Account of two terms in the expansion of this quantity in power series of a small parameter #betta# of the order of msub(e)/msub(μ) of the order of 1/200 results in the energy splitting value δ#betta# = 4462.9 MHz in good agreement with previously obtained experimental and theoretical values. (author)

  20. Computations on the primary photoreaction of Br2 with CO2: stepwise vs concerted addition of Br atoms.

    Science.gov (United States)

    Xu, Kewei; Korter, Timothy M; Braiman, Mark S

    2015-04-09

    It was proposed previously that Br2-sensitized photolysis of liquid CO2 proceeds through a metastable primary photoproduct, CO2Br2. Possible mechanisms for such a photoreaction are explored here computationally. First, it is shown that the CO2Br radical is not stable in any geometry. This rules out a free-radical mechanism, for example, photochemical splitting of Br2 followed by stepwise addition of Br atoms to CO2-which in turn accounts for the lack of previously observed Br2+CO2 photochemistry in gas phases. A possible alternative mechanism in liquid phase is formation of a weakly bound CO2:Br2 complex, followed by concerted photoaddition of Br2. This hypothesis is suggested by the previously published spectroscopic detection of a binary CO2:Br2 complex in the supersonically cooled gas phase. We compute a global binding-energy minimum of -6.2 kJ mol(-1) for such complexes, in a linear geometry. Two additional local minima were computed for perpendicular (C2v) and nearly parallel asymmetric planar geometries, both with binding energies near -5.4 kJ mol(-1). In these two latter geometries, C-Br and O-Br bond distances are simultaneously in the range of 3.5-3.8 Å, that is, perhaps suitable for a concerted photoaddition under the temperature and pressure conditions where Br2 + CO2 photochemistry has been observed.

  1. Direct Atomic Force Microscopy Observation of DNA Tile Crystal Growth at the Single-Molecule Level

    OpenAIRE

    Evans, Constantine G.; Hariadi, Rizal F.; Winfree, Erik

    2012-01-01

    While the theoretical implications of models of DNA tile self-assembly have been extensively researched and such models have been used to design DNA tile systems for use in experiments, there has been little research testing the fundamental assumptions of those models. In this paper, we use direct observation of individual tile attachments and detachments of two DNA tile systems on a mica surface imaged with an atomic force microscope (AFM) to compile statistics of tile attachments and detach...

  2. Physics for computer science students with emphasis on atomic and semiconductor physics

    CERN Document Server

    Garcia, Narciso

    1991-01-01

    This text is the product of several years' effort to develop a course to fill a specific educational gap. It is our belief that computer science students should know how a computer works, particularly in light of rapidly changing tech­ nologies. The text was designed for computer science students who have a calculus background but have not necessarily taken prior physics courses. However, it is clearly not limited to these students. Anyone who has had first-year physics can start with Chapter 17. This includes all science and engineering students who would like a survey course of the ideas, theories, and experiments that made our modern electronics age possible. This textbook is meant to be used in a two-semester sequence. Chapters 1 through 16 can be covered during the first semester, and Chapters 17 through 28 in the second semester. At Queens College, where preliminary drafts have been used, the material is presented in three lecture periods (50 minutes each) and one recitation period per week, 15 weeks p...

  3. A high level language for a high performance computer

    Science.gov (United States)

    Perrott, R. H.

    1978-01-01

    The proposed computational aerodynamic facility will join the ranks of the supercomputers due to its architecture and increased execution speed. At present, the languages used to program these supercomputers have been modifications of programming languages which were designed many years ago for sequential machines. A new programming language should be developed based on the techniques which have proved valuable for sequential programming languages and incorporating the algorithmic techniques required for these supercomputers. The design objectives for such a language are outlined.

  4. Toward a Computational Neuropsychology of High-Level Vision.

    Science.gov (United States)

    1984-08-20

    known as visual agnosia ’ (also called "mindblindness’)l this patient failed to *recognize her nurses, got lost frequently when travelling familiar routes...visual agnosia are not blind: these patients can compare two shapes reliably when Computational neuropsychology 16 both are visible, but they cannot...visually recognize what an object is (although many can recognize objects by touch). This sort of agnosia has been well-documented in the literature (see

  5. Coherent control of the group velocity in a dielectric slab doped with duplicated two-level atoms

    Science.gov (United States)

    Ziauddin; Chuang, You-Lin; Lee, Ray-Kuang; Qamar, Sajid

    2016-01-01

    Coherent control of reflected and transmitted pulses is investigated theoretically through a slab doped with atoms in a duplicated two-level configuration. When a strong control field and a relatively weak probe field are employed, coherent control of the group velocity is achieved via changing the phase shift ϕ between control and probe fields. Furthermore, the peak values in the delay time of the reflected and transmitted pulses are also studied by varying the phase shift ϕ.

  6. A New Dual-purpose Quality Control Dosimetry Protocol for Diagnostic Reference-level Determination in Computed Tomography.

    Science.gov (United States)

    Sohrabi, Mehdi; Parsi, Masoumeh; Sina, Sedigheh

    2018-05-17

    A diagnostic reference level is an advisory dose level set by a regulatory authority in a country as an efficient criterion for protection of patients from unwanted medical exposure. In computed tomography, the direct dose measurement and data collection methods are commonly applied for determination of diagnostic reference levels. Recently, a new quality-control-based dose survey method was proposed by the authors to simplify the diagnostic reference-level determination using a retrospective quality control database usually available at a regulatory authority in a country. In line with such a development, a prospective dual-purpose quality control dosimetry protocol is proposed for determination of diagnostic reference levels in a country, which can be simply applied by quality control service providers. This new proposed method was applied to five computed tomography scanners in Shiraz, Iran, and diagnostic reference levels for head, abdomen/pelvis, sinus, chest, and lumbar spine examinations were determined. The results were compared to those obtained by the data collection and quality-control-based dose survey methods, carried out in parallel in this study, and were found to agree well within approximately 6%. This is highly acceptable for quality-control-based methods according to International Atomic Energy Agency tolerance levels (±20%).

  7. The role of atomic level steric effects and attractive forces in protein folding.

    Science.gov (United States)

    Lammert, Heiko; Wolynes, Peter G; Onuchic, José N

    2012-02-01

    Protein folding into tertiary structures is controlled by an interplay of attractive contact interactions and steric effects. We investigate the balance between these contributions using structure-based models using an all-atom representation of the structure combined with a coarse-grained contact potential. Tertiary contact interactions between atoms are collected into a single broad attractive well between the C(β) atoms between each residue pair in a native contact. Through the width of these contact potentials we control their tolerance for deviations from the ideal structure and the spatial range of attractive interactions. In the compact native state dominant packing constraints limit the effects of a coarse-grained contact potential. During folding, however, the broad attractive potentials allow an early collapse that starts before the native local structure is completely adopted. As a consequence the folding transition is broadened and the free energy barrier is decreased. Eventually two-state folding behavior is lost completely for systems with very broad attractive potentials. The stabilization of native-like residue interactions in non-perfect geometries early in the folding process frequently leads to structural traps. Global mirror images are a notable example. These traps are penalized by the details of the repulsive interactions only after further collapse. Successful folding to the native state requires simultaneous guidance from both attractive and repulsive interactions. Copyright © 2011 Wiley Periodicals, Inc.

  8. Phase time delay and Hartman effect in a one-dimensional photonic crystal with four-level atomic defect layer

    Science.gov (United States)

    Jamil, Rabia; Ali, Abu Bakar; Abbas, Muqaddar; Badshah, Fazal; Qamar, Sajid

    2017-08-01

    The Hartman effect is revisited using a Gaussian beam incident on a one-dimensional photonic crystal (1DPC) having a defect layer doped with four-level atoms. It is considered that each atom of the defect layer interacts with three driving fields, whereas a Gaussian beam of width w is used as a probe light to study Hartman effect. The atom-field interaction inside the defect layer exhibits electromagnetically induced transparency (EIT). The 1DPC acts as positive index material (PIM) and negative index material (NIM) corresponding to the normal and anomalous dispersion of the defect layer, respectively, via control of the phase associated with the driving fields and probe detuning. The positive and negative Hartman effects are noticed for PIM and NIM, respectively, via control of the relative phase corresponding to the driving fields and probe detuning. The advantage of using four-level EIT system is that a much smaller absorption of the transmitted beam occurs as compared to three-level EIT system corresponding to the anomalous dispersion, leading to negative Hartman effect.

  9. Radiation safety concerns and diagnostic reference levels for computed tomography scanners in Tamil Nadu

    International Nuclear Information System (INIS)

    Livingstone, Roshan S.; Dinakaran, Paul M.

    2011-01-01

    Radiation safety in computed tomography (CT) scanners is of concern due its widespread use in the field of radiological imaging. This study intends to evaluate radiation doses imparted to patients undergoing thorax, abdomen and pelvic CT examinations and formulate regional diagnostic reference levels (DRL) in Tamil Nadu, South India. In-site CT dose measurement was performed in 127 CT scanners in Tamil Nadu for a period of 2 years as a part of the Atomic Energy Regulatory Board (AERB)-funded project. Out of the 127 CT scanners,13 were conventional; 53 single-slice helical scanners (SSHS); 44 multislice CT (MSCT) scanners; and 17 refurbished scanners. CT dose index (CTDI) was measured using a 32-cm polymethyl methacrylate (PMMA)-body phantom in each CT scanner. Dose length product (DLP) for different anatomical regions was generated using CTDI values. The regional DRLs for thorax, abdomen and pelvis examinations were 557, 521 and 294 mGy cm, respectively. The mean effective dose was estimated using the DLP values and was found to be 8.04, 6.69 and 4.79 mSv for thorax, abdomen and pelvic CT examinations, respectively. The establishment of DRLs in this study is the first step towards optimization of CT doses in the Indian context. (author)

  10. Cation-Poor Complex Metallic Alloys in Ba(Eu)-Au-Al(Ga) Systems: Identifying the Keys that Control Structural Arrangements and Atom Distributions at the Atomic Level.

    Science.gov (United States)

    Smetana, Volodymyr; Steinberg, Simon; Mudryk, Yaroslav; Pecharsky, Vitalij; Miller, Gordon J; Mudring, Anja-Verena

    2015-11-02

    Four complex intermetallic compounds BaAu(6±x)Ga(6±y) (x = 1, y = 0.9) (I), BaAu(6±x)Al(6±y) (x = 0.9, y = 0.6) (II), EuAu6.2Ga5.8 (III), and EuAu6.1Al5.9 (IV) have been synthesized, and their structures and homogeneity ranges have been determined by single crystal and powder X-ray diffraction. Whereas I and II originate from the NaZn13-type structure (cF104-112, Fm3̅c), III (tP52, P4/nbm) is derived from the tetragonal Ce2Ni17Si9-type, and IV (oP104, Pbcm) crystallizes in a new orthorhombic structure type. Both I and II feature formally anionic networks with completely mixed site occupation by Au and triel (Tr = Al, Ga) atoms, while a successive decrease of local symmetry from the parental structures of I and II to III and, ultimately, to IV correlates with increasing separation of Au and Tr on individual crystallographic sites. Density functional theory-based calculations were employed to determine the crystallographic site preferences of Au and the respective triel element to elucidate reasons for the atom distribution ("coloring scheme"). Chemical bonding analyses for two different "EuAu6Tr6" models reveal maximization of the number of heteroatomic Au-Tr bonds as the driving force for atom organization. The Fermi levels fall in broad pseudogaps for both models allowing some electronic flexibility. Spin-polarized band structure calculations on the "EuAu6Tr6" models hint to singlet ground states for europium and long-range magnetic coupling for both EuAu6.2Ga5.8 (III) and EuAu6.1Al5.9 (IV). This is substantiated by experimental evidence because both compounds show nearly identical magnetic behavior with ferromagnetic transitions at TC = 6 K and net magnetic moments of 7.35 μB/f.u. at 2 K. The effective moments of 8.3 μB/f.u., determined from Curie-Weiss fits, point to divalent oxidation states for europium in both III and IV.

  11. 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

  12. Pseudo information entropy of a three-level atom interaction with two ...

    Indian Academy of Sciences (India)

    of enormous utility in quantum computing, cryptography etc. A major ... The central object of information theory, the entropy, has been introduced in .... the interference terms and therefore [7], it is expected to use pseudo entropy as a measure.

  13. A conceptual framework of computations in mid-level vision.

    Science.gov (United States)

    Kubilius, Jonas; Wagemans, Johan; Op de Beeck, Hans P

    2014-01-01

    If a picture is worth a thousand words, as an English idiom goes, what should those words-or, rather, descriptors-capture? What format of image representation would be sufficiently rich if we were to reconstruct the essence of images from their descriptors? In this paper, we set out to develop a conceptual framework that would be: (i) biologically plausible in order to provide a better mechanistic understanding of our visual system; (ii) sufficiently robust to apply in practice on realistic images; and (iii) able to tap into underlying structure of our visual world. We bring forward three key ideas. First, we argue that surface-based representations are constructed based on feature inference from the input in the intermediate processing layers of the visual system. Such representations are computed in a largely pre-semantic (prior to categorization) and pre-attentive manner using multiple cues (orientation, color, polarity, variation in orientation, and so on), and explicitly retain configural relations between features. The constructed surfaces may be partially overlapping to compensate for occlusions and are ordered in depth (figure-ground organization). Second, we propose that such intermediate representations could be formed by a hierarchical computation of similarity between features in local image patches and pooling of highly-similar units, and reestimated via recurrent loops according to the task demands. Finally, we suggest to use datasets composed of realistically rendered artificial objects and surfaces in order to better understand a model's behavior and its limitations.

  14. A conceptual framework of computations in mid-level vision

    Directory of Open Access Journals (Sweden)

    Jonas eKubilius

    2014-12-01

    Full Text Available If a picture is worth a thousand words, as an English idiom goes, what should those words – or, rather, descriptors – capture? What format of image representation would be sufficiently rich if we were to reconstruct the essence of images from their descriptors? In this paper, we set out to develop a conceptual framework that would be: (i biologically plausible in order to provide a better mechanistic understanding of our visual system; (ii sufficiently robust to apply in practice on realistic images; and (iii able to tap into underlying structure of our visual world. We bring forward three key ideas. First, we argue that surface-based representations are constructed based on feature inference from the input in the intermediate processing layers of the visual system. Such representations are computed in a largely pre-semantic (prior to categorization and pre-attentive manner using multiple cues (orientation, color, polarity, variation in orientation and so on, and explicitly retain configural relations between features. The constructed surfaces may be partially overlapping to compensate for occlusions and are ordered in depth (figure-ground organization. Second, we propose that such intermediate representations could be formed by a hierarchical computation of similarity between features in local image patches and pooling of highly-similar units, and reestimated via recurrent loops according to the task demands. Finally, we suggest to use datasets composed of realistically rendered artificial objects and surfaces in order to better understand a model’s behavior and its limitations.

  15. A conceptual framework of computations in mid-level vision

    Science.gov (United States)

    Kubilius, Jonas; Wagemans, Johan; Op de Beeck, Hans P.

    2014-01-01

    If a picture is worth a thousand words, as an English idiom goes, what should those words—or, rather, descriptors—capture? What format of image representation would be sufficiently rich if we were to reconstruct the essence of images from their descriptors? In this paper, we set out to develop a conceptual framework that would be: (i) biologically plausible in order to provide a better mechanistic understanding of our visual system; (ii) sufficiently robust to apply in practice on realistic images; and (iii) able to tap into underlying structure of our visual world. We bring forward three key ideas. First, we argue that surface-based representations are constructed based on feature inference from the input in the intermediate processing layers of the visual system. Such representations are computed in a largely pre-semantic (prior to categorization) and pre-attentive manner using multiple cues (orientation, color, polarity, variation in orientation, and so on), and explicitly retain configural relations between features. The constructed surfaces may be partially overlapping to compensate for occlusions and are ordered in depth (figure-ground organization). Second, we propose that such intermediate representations could be formed by a hierarchical computation of similarity between features in local image patches and pooling of highly-similar units, and reestimated via recurrent loops according to the task demands. Finally, we suggest to use datasets composed of realistically rendered artificial objects and surfaces in order to better understand a model's behavior and its limitations. PMID:25566044

  16. Atomic-level characterization of the activation mechanism of SERCA by calcium.

    Directory of Open Access Journals (Sweden)

    L Michel Espinoza-Fonseca

    Full Text Available We have performed molecular dynamics (MD simulations to elucidate, in atomic detail, the mechanism by which the sarcoplasmic reticulum Ca(2+-ATPase (SERCA is activated by Ca(2+. Crystal structures suggest that activation of SERCA occurs when the cytoplasmic head-piece, in an open (E1 conformation stabilized by Ca(2+, undergoes a large-scale open-to-closed (E1 to E2 transition that is induced by ATP binding. However, spectroscopic measurements in solution suggest that these structural states (E1 and E2 are not tightly coupled to biochemical states (defined by bound ligands; the closed E2 state predominates even in the absence of ATP, in both the presence and absence of Ca(2+. How is this loose coupling consistent with the high efficiency of energy transduction in the Ca(2+-ATPase? To provide insight into this question, we performed long (500 ns all-atom MD simulations starting from the open crystal structure, including a lipid bilayer and water. In both the presence and absence of Ca(2+, we observed a large-scale open-to-closed conformational transition within 400 ns, supporting the weak coupling between structural and biochemical states. However, upon closer inspection, it is clear that Ca(2+ is necessary and sufficient for SERCA to reach the precise geometrical arrangement necessary for activation of ATP hydrolysis. Contrary to suggestions from crystal structures, but in agreement with solution spectroscopy, the presence of ATP is not required for this activating transition. Principal component analysis showed that Ca(2+ reshapes the free energy landscape of SERCA to create a path between the open conformation and the activated closed conformation. Thus the malleability of the free energy landscape is essential for SERCA efficiency, ensuring that ATP hydrolysis is tightly coupled to Ca(2+ transport. These results demonstrate the importance of real-time dynamics in the formation of catalytically competent conformations of SERCA, with broad

  17. Computational evaluation of sub-nanometer cluster activity of singly exposed copper atom with various coordinative environment in catalytic CO2 transformation

    Science.gov (United States)

    Shanmugam, Ramasamy; Thamaraichelvan, Arunachalam; Ganesan, Tharumeya Kuppusamy; Viswanathan, Balasubramanian

    2017-02-01

    Metal cluster, at sub-nanometer level has a unique property in the activation of small molecules, in contrast to that of bulk surface. In the present work, singly exposed active site of copper metal cluster at sub-nanometer level was designed to arrive at the energy minimised configurations, binding energy, electrostatic potential map, frontier molecular orbitals and partial density of states. The ab initio molecular dynamics was carried out to probe the catalytic nature of the cluster. Further, the stability of the metal cluster and its catalytic activity in the electrochemical reduction of CO2 to CO were evaluated by means of computational hydrogen electrode via calculation of the free energy profile using DFT/B3LYP level of theory in vacuum. The activity of the cluster is ascertained from the fact that the copper atom, present in a two coordinative environment, performs a more selective conversion of CO2 to CO at an applied potential of -0.35 V which is comparatively lower than that of higher coordinative sites. The present study helps to design any sub-nano level metal catalyst for electrochemical reduction of CO2 to various value added chemicals.

  18. Entanglement manipulation via Coulomb interaction in an optomechanical cavity assisted by two-level cold atoms

    Science.gov (United States)

    Wang, Jing; Tian, Xue-Dong; Liu, Yi-Mou; Cui, Cui-Li; Wu, Jin-Hui

    2018-06-01

    We investigate the stationary entanglement properties in a hybrid system consisting of an optical cavity, a mechanical resonator, a charged object, and an atomic ensemble. Numerical results show that this hybrid system exhibits three kinds of controllable bipartite entanglements in an experimentally accessible parameter regime with the help of the charged object. More importantly, it is viable to enhance on demand each bipartite entanglement at the expense of reducing others by modulating the Coulomb coupling strength. Last but not least, these bipartite entanglements seem more robust against on the environmental temperature for the positive Coulomb interaction.

  19. Direct atomic force microscopy observation of DNA tile crystal growth at the single-molecule level.

    Science.gov (United States)

    Evans, Constantine G; Hariadi, Rizal F; Winfree, Erik

    2012-06-27

    While the theoretical implications of models of DNA tile self-assembly have been extensively researched and such models have been used to design DNA tile systems for use in experiments, there has been little research testing the fundamental assumptions of those models. In this paper, we use direct observation of individual tile attachments and detachments of two DNA tile systems on a mica surface imaged with an atomic force microscope (AFM) to compile statistics of tile attachments and detachments. We show that these statistics fit the widely used kinetic Tile Assembly Model and demonstrate AFM movies as a viable technique for directly investigating DNA tile systems during growth rather than after assembly.

  20. Assessing Pre-Service Teachers' Computer Phobia Levels in Terms of Gender and Experience, Turkish Sample

    Science.gov (United States)

    Ursavas, Omer Faruk; Karal, Hasan

    2009-01-01

    In this study it is aimed to determine the level of pre-service teachers' computer phobia. Whether or not computer phobia meaningfully varies statistically according to gender and computer experience has been tested in the study. The study was performed on 430 pre-service teachers at the Education Faculty in Rize/Turkey. Data in the study were…

  1. Controlling the optical bistability via quantum interference in a four-level N-type atomic system

    International Nuclear Information System (INIS)

    Sahrai, M.; Asadpour, S.H.; Mahrami, H.; Sadighi-Bonabi, R.

    2011-01-01

    We investigate the optical bistability (OB) and optical multi-stability (OM) in a four-level N-type atomic system. The effect of spontaneously generated coherence (SGC) on OB and OM is then discussed. It is found that SGC makes the medium phase dependent, so the optical bistability and multi-stability threshold can be controlled via relative phase between applied fields. We realize that the frequency detuning of probe and coupling fields with the corresponding atomic transition plays an important role in creation OB and OM. Moreover, the effect of laser coupling fields and an incoherent pumping field on reduction of OB and OM threshold is then discussed. - Highlights: → We modulate the optical bistability (OB) in a four-level N-type atomic system. The effect of spontaneously generated coherence on OB is discussed. → Spontaneously generated coherence makes the medium phase dependent. → The frequency of coupling field can reduce OB threshold. → We discuss the effect of an incoherent pumping field on reduction of OB threshold.

  2. Determination of Sodium, Potassium, Magnesium, and Calcium Minerals Level in Fresh and Boiled Broccoli and Cauliflower by Atomic Absorption Spectrometry

    Science.gov (United States)

    Nerdy

    2018-01-01

    Vegetables from the cabbage family vegetables consumed by many people, which is known healthful, by eaten raw, boiled, or cooked (stir fry or soup). Vegetables like broccoli and cauliflower contain vitamins, minerals, and fiber. This study aims to determine the decrease percentage of sodium, potassium, magnesium, and calcium minerals level caused by boiled broccoli and cauliflower by atomic absorption spectrometry. Boiled broccoli and cauliflower prepared by given boiled treatment in boiling water for 3 minutes. Fresh and boiled broccoli and cauliflower carried out dry destruction, followed by quantitative analysis of sodium, potassium, magnesium, and calcium minerals respectively at a wavelength of 589.0 nm; 766.5 nm; 285.2 nm; and 422.7 nm, using atomic absorption spectrometry methods. After the determination of the sodium, potassium, magnesium, and calcium minerals level followed by validation of analytical methods with accuracy, precision, linearity, range, limit of detection (LOD), and limit of quantitation (LOQ) parameters. Research results show a decrease in the sodium, potassium, magnesium, and calcium minerals level in boiled broccoli and cauliflower compared with fresh broccoli and cauliflower. Validation of analytical methods gives results that spectrometry methods used for determining sodium, potassium, magnesium, and calcium minerals level are valid. It concluded that the boiled gives the effect of decreasing the minerals level significantly in broccoli and cauliflower.

  3. Experimental research on the contrast production of the chemical elements with the atomic numbers 1-83 in a computer-totalbody-tomogram

    International Nuclear Information System (INIS)

    Kirschner, H.; Burmester, U.; Stringaris, K.

    1979-01-01

    The contrast production for the chemical elements with the atomic numbers Z=1-83 were determined by computer-tomography. With the formula relation of the Δ-number and the atomic number can one compute the contrast production of any chosen chemical compound. Iodine-free and inorganic iodine-containing contrast media are examined for their contrast production and compared with presently used organic iodine-containing contrast media. The contrast enhancement of organic contrast media in tissue are discussed. (orig.) [de

  4. Toward Rational Design of Cu/SSZ-13 Selective Catalytic Reduction Catalysts: Implications from Atomic-Level Understanding of Hydrothermal Stability

    Energy Technology Data Exchange (ETDEWEB)

    Song, James [Institute; The; amp, Linda Voiland School of Chemical Engineering and Bioengineering, Washington State University, P.O. Box 646515, Pullman, Washington 99164, United States; Wang, Yilin [Institute; Walter, Eric D. [Environmental; Washton, Nancy M. [Environmental; Mei, Donghai [Institute; Kovarik, Libor [Environmental; Engelhard, Mark H. [Environmental; Prodinger, Sebastian [Institute; Wang, Yong [Institute; The; amp, Linda Voiland School of Chemical Engineering and Bioengineering, Washington State University, P.O. Box 646515, Pullman, Washington 99164, United States; Peden, Charles H. F. [Institute; Gao, Feng [Institute

    2017-11-03

    The hydrothermal stability of Cu/SSZ-13 SCR catalysts has been extensively studied, yet atomic level understanding of changes to the zeolite support and the Cu active sites during hydrothermal aging are still lacking. In this work, via the utilization of spectroscopic methods including solid-state 27Al and 29Si NMR, EPR, DRIFTS, and XPS, together with imaging and elemental mapping using STEM, detailed kinetic analyses, and theoretical calculations with DFT, various Cu species, including two types of isolated active sites and CuOx clusters, were precisely quantified for samples hydrothermally aged under varying conditions. This quantification convincingly confirms the exceptional hydrothermal stability of isolated Cu2+-2Z sites, and the gradual conversion of [Cu(OH)]+-Z to CuOx clusters with increasing aging severity. This stability difference is rationalized from the hydrolysis activation barrier difference between the two isolated sites via DFT. Discussions are provided on the nature of the CuOx clusters, and their possible detrimental roles on catalyst stability. Finally, a few rational design principles for Cu/SSZ-13 are derived rigorously from the atomic-level understanding of this catalyst obtained here. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. Computing time was granted by a user proposal at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) and by the National Energy Research Scientific Computing Center (NERSC). The experimental studies described in this paper were performed in the EMSL, a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle.

  5. An intermediate level of abstraction for computational systems chemistry

    DEFF Research Database (Denmark)

    Andersen, Jakob L.; Flamm, Christoph; Merkle, Daniel

    2017-01-01

    system, well grounded in category theory, at the right level of abstraction for the analysis of large and complex reaction networks. An extension of the basic formalism into the realm of integer hyperflows allows for the identification of complex reaction patterns, such as autocatalysis, in large...

  6. A Memory and Computation Efficient Sparse Level-Set Method

    NARCIS (Netherlands)

    Laan, Wladimir J. van der; Jalba, Andrei C.; Roerdink, Jos B.T.M.

    Since its introduction, the level set method has become the favorite technique for capturing and tracking moving interfaces, and found applications in a wide variety of scientific fields. In this paper we present efficient data structures and algorithms for tracking dynamic interfaces through the

  7. Computational Prediction of Atomic Structures of Helical Membrane Proteins Aided by EM Maps

    Science.gov (United States)

    Kovacs, Julio A.; Yeager, Mark; Abagyan, Ruben

    2007-01-01

    Integral membrane proteins pose a major challenge for protein-structure prediction because only ≈100 high-resolution structures are available currently, thereby impeding the development of rules or empirical potentials to predict the packing of transmembrane α-helices. However, when an intermediate-resolution electron microscopy (EM) map is available, it can be used to provide restraints which, in combination with a suitable computational protocol, make structure prediction feasible. In this work we present such a protocol, which proceeds in three stages: 1), generation of an ensemble of α-helices by flexible fitting into each of the density rods in the low-resolution EM map, spanning a range of rotational angles around the main helical axes and translational shifts along the density rods; 2), fast optimization of side chains and scoring of the resulting conformations; and 3), refinement of the lowest-scoring conformations with internal coordinate mechanics, by optimizing the van der Waals, electrostatics, hydrogen bonding, torsional, and solvation energy contributions. In addition, our method implements a penalty term through a so-called tethering map, derived from the EM map, which restrains the positions of the α-helices. The protocol was validated on three test cases: GpA, KcsA, and MscL. PMID:17496035

  8. Spontaneous emission spectrum from a V-type three-level atom in a double-band photonic crystal

    International Nuclear Information System (INIS)

    Zhang Han Zhuang; Tang Sing Hai; Dong Po; He Jun

    2002-01-01

    The spontaneous emission spectrum from a V-type three-level atom embedded in a double-band photonic band gap (PBG) material has been investigated for the first time. Most interestingly it is shown that there is not only a black dark line, but also a narrow spontaneous line near the edges of the double photonic band. The positions of the dark line and narrow spontaneous line are near the transition from an empty upper level to a lower level. The lines stem from destructive and constructive quantum interferences, which induce population transfer between the two upper levels, in the PBG reservoirs. The effects of system parameters on the interference have been discussed in detail

  9. PRAXIS, High Level Computer Language for System Applications

    International Nuclear Information System (INIS)

    Holloway, F.W.

    1998-01-01

    1 - Description of program or function: PRAXIS is a systems implementation programming language designed especially for control and communications programming. It is a modern, strongly-typed, block-structured language similar to PASCAL but with extensions and features particular to control systems applications. The software consists of three PRAXIS compilers and three associated support utilities - the PRAXIS RMS-11 Interface, a set of procedures, functions, and type declarations which allow PRAXIS programs to interface to the RMS-11 Input/Output system under VAX/VMS and the RSX-11M systems; TEXTIO, character I/O software for terminal and line-printer text operations; and UNPASCAL, a program which translates simple PASCAL programs into PRAXIS. The compilers included are: a VAX/VMS version which generates VAX code, a VAX/VMS version which generates PDP11 codes, and a PDP11/RSX-11M version which generates PDP11 code. NESC Edition B of PRAXIS is designated as Version 7.3 by the contributors. The PDP11 compiler is not supported and has not been changed since February 1982. 2 - Method of solution: The PRAXIS compilers use LALR parsing technique to generate an intermediate machine-independent code. This is then processed using templates for the target computer to generate actual machine instructions

  10. NMR paves the way for atomic level descriptions of sparsely populated, transiently formed biomolecular conformers.

    Science.gov (United States)

    Sekhar, Ashok; Kay, Lewis E

    2013-08-06

    The importance of dynamics to biomolecular function is becoming increasingly clear. A description of the structure-function relationship must, therefore, include the role of motion, requiring a shift in paradigm from focus on a single static 3D picture to one where a given biomolecule is considered in terms of an ensemble of interconverting conformers, each with potentially diverse activities. In this Perspective, we describe how recent developments in solution NMR spectroscopy facilitate atomic resolution studies of sparsely populated, transiently formed biomolecular conformations that exchange with the native state. Examples of how this methodology is applied to protein folding and misfolding, ligand binding, and molecular recognition are provided as a means of illustrating both the power of the new techniques and the significant roles that conformationally excited protein states play in biology.

  11. Imaging atomic-level random walk of a point defect in graphene

    Science.gov (United States)

    Kotakoski, Jani; Mangler, Clemens; Meyer, Jannik C.

    2014-05-01

    Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect diffusion is hindered both by the difficulties related to direct imaging of non-periodic structures and by the timescales involved in the diffusion process. Here, instead of imaging thermal diffusion, we stimulate and follow the migration of a divacancy through graphene lattice using a scanning transmission electron microscope operated at 60 kV. The beam-activated process happens on a timescale that allows us to capture a significant part of the structural transformations and trajectory of the defect. The low voltage combined with ultra-high vacuum conditions ensure that the defect remains stable over long image sequences, which allows us for the first time to directly follow the diffusion of a point defect in a crystalline material.

  12. Levels of trace elements in different varieties of wheat determined by Atomic Absorption Spectroscopy

    International Nuclear Information System (INIS)

    Mohamed, A.E.; Taha, G.M.

    2003-01-01

    Trace elements Ag, Au, Ca, Co, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, Pb, Sr and Zn were determined in six wheat samples purchased from the open market in different localities (Egypt, Saudi Arabia, Yemen, Oman, Dubai and Australia). The dried powdered samples were decomposed in HNO3-HClO4 acids mixtures and elements were determined using recording atomic absorption spectrophotometer. The results were within the safety baseline of all the assayed elements. Certified biological standards, Brown's Kale (BK), Orchard Leaves (OL) and tomato leaves (TOML) were used to assure the accuracy of results. However, Co, Pb and Sr were absent from samples except the Egyptian samples. The obtained databases were statistically treated. Several significant and strong positive correlation coefficients (r=0.506-1.00) between the groups of elements were observed. On the other hand, strong negative correlations (r=0.492-0.873) between another group of elements were also shown. (author)

  13. Excitation of the 1P and 3P levels of Mg atom by electron impact

    International Nuclear Information System (INIS)

    Avdonina, N.B.; Amus'ya, M.Ya.

    1983-01-01

    Using a diagram method of the many-body theory in the first order of the perturbation theory for the interaction of incident electron and atom expressions for differential and integral excitation cross sections of 3s → 3p 1 P and 3s → 3p 3 P magnesium have been derived. Calculational results are compared with experimental as well as with calculations made in the approximation of a strong coupling. In a wide range of scattering angles good agreement with cross sections measured experimentally has been obtained. Necessity of the diagram consideration of a higher order of the perturbation theory during the investigation of the scattering processes at small angles is concluded on the basis of the above comparison

  14. IBIC characterisation of novel detectors for single atom doping of quantum computer devices

    International Nuclear Information System (INIS)

    Yang Changyi; Jamieson, David N.; Pakes, Chris I.; George, Damien P.; Hearne, Sean M.; Dzurak, Andrew S.; Gauja, Eric; Stanley, F.; Clark, R.G.

    2003-01-01

    Single ion implantation and online detection is highly desirable for the emerging application, in which single 31 P ions need to be inserted in prefabricated silicon cells to construct solid-state quantum bits (qubits). In order to fabricate qubit arrays, we have developed novel detectors that employ detector electrodes adjacent to the prefabricated cells that can detect single keV ion strikes appropriate for the fabrication of shallow phosphorus arrays. The method utilises a high purity silicon substrate with very high resistivity, a thin SiO 2 surface layer, nanometer masks for the lateral positioning single phosphorus implantation, biased electrodes applied to the surface of the silicon and sensitive electronics that can detect the charge transient from single keV ion strikes. A TCAD (Technology Computer Aided Design) software package was applied in the optimisation of the device design and simulation of the detector performance. Here we show the characterisation of these detectors using ion beam induced charge (IBIC) with a focused 2 MeV He ions in a nuclear microprobe. The IBIC imaging method in a nuclear microprobe allowed us to measure the dead-layer thickness of the detector structure (required to be very thin for successful detection of keV ions), and the spatial distribution of the charge collection efficiency around the entire region of the detector. We show that our detectors have near 100% charge collection efficiency for MeV ions, extremely thin dead-layer thickness (about 7 nm) and a wide active region extending laterally from the electrodes (10-20 μm) where qubit arrays can be constructed. We demonstrate that the device can be successfully applied in the detection of keV ionisation energy from single events of keV X-rays and keV 31 P ions

  15. IBIC characterisation of novel detectors for single atom doping of quantum computer devices

    Energy Technology Data Exchange (ETDEWEB)

    Yang Changyi E-mail: cjy@physics.unimelb.edu.auc.yang@physics.unimelb.edu.au; Jamieson, David N.; Pakes, Chris I.; George, Damien P.; Hearne, Sean M.; Dzurak, Andrew S.; Gauja, Eric; Stanley, F.; Clark, R.G

    2003-09-01

    Single ion implantation and online detection is highly desirable for the emerging application, in which single {sup 31}P ions need to be inserted in prefabricated silicon cells to construct solid-state quantum bits (qubits). In order to fabricate qubit arrays, we have developed novel detectors that employ detector electrodes adjacent to the prefabricated cells that can detect single keV ion strikes appropriate for the fabrication of shallow phosphorus arrays. The method utilises a high purity silicon substrate with very high resistivity, a thin SiO{sub 2} surface layer, nanometer masks for the lateral positioning single phosphorus implantation, biased electrodes applied to the surface of the silicon and sensitive electronics that can detect the charge transient from single keV ion strikes. A TCAD (Technology Computer Aided Design) software package was applied in the optimisation of the device design and simulation of the detector performance. Here we show the characterisation of these detectors using ion beam induced charge (IBIC) with a focused 2 MeV He ions in a nuclear microprobe. The IBIC imaging method in a nuclear microprobe allowed us to measure the dead-layer thickness of the detector structure (required to be very thin for successful detection of keV ions), and the spatial distribution of the charge collection efficiency around the entire region of the detector. We show that our detectors have near 100% charge collection efficiency for MeV ions, extremely thin dead-layer thickness (about 7 nm) and a wide active region extending laterally from the electrodes (10-20 {mu}m) where qubit arrays can be constructed. We demonstrate that the device can be successfully applied in the detection of keV ionisation energy from single events of keV X-rays and keV {sup 31}P ions.

  16. Sentient Sketchbook: Computer-Assisted Game Level Authoring

    DEFF Research Database (Denmark)

    Liapis, Antonios; Yannakakis, Georgios N.; Togelius, Julian

    2013-01-01

    constrained novelty search via a two-population paradigm for generating, in real-time, alternatives to the author's design and evaluates its potential against current approaches. The paper concludes with a small-scale user study in which industry experts interact with the Sentient Sketchbook to design game......This paper introduces the Sentient Sketchbook, a tool which supports a designer in the creation of game levels. Using map sketches to alleviate designer effort, the tool automates playability checks and evaluations and visualizes significant gameplay properties. This paper also introduces...

  17. Theoretical Calculations of Atomic Data for Spectroscopy

    Science.gov (United States)

    Bautista, Manuel A.

    2000-01-01

    Several different approximations and techniques have been developed for the calculation of atomic structure, ionization, and excitation of atoms and ions. These techniques have been used to compute large amounts of spectroscopic data of various levels of accuracy. This paper presents a review of these theoretical methods to help non-experts in atomic physics to better understand the qualities and limitations of various data sources and assess how reliable are spectral models based on those data.

  18. Electron mobility on the surface of liquid Helium: influence of surface level atoms and depopulation of lowest subbands

    International Nuclear Information System (INIS)

    Grigoriev, P. D.; Dyugaev, A. M.; Lebedeva, E. V.

    2008-01-01

    The temperature dependence of electron mobility is examined. We calculate the contribution to the electron scattering rate from the surface level atoms (SLAs), proposed in [10]. This contribution is substantial at low temperatures T < 0.5, when the He vapor concentration is exponentially small. We also study the effect of depopulation of the lowest energy subband, which leads to an increase in the electron mobility at high temperature. The results explain certain long-standing discrepancies between the existing theory and experiment on electron mobility on the surface of liquid helium

  19. Enhanced Cross-Phase Modulation Based on a Double Electromagnetically Induced Transparency in a Four-Level Tripod Atomic System

    International Nuclear Information System (INIS)

    Li Shujing; Yang Xudong; Cao Xuemin; Zhang Chunhong; Xie Changde; Wang Hai

    2008-01-01

    We report experimental observations on the simultaneous electromagnetically induced transparency (EIT) effects for probe and trigger fields (double EIT) as well as the enhanced cross-phase modulation (XPM) between the two fields in a four-level tripod EIT system of the D1 line of 87 Rb atoms. The XPM coefficients (larger than 2x10 -5 cm 2 /W) and the accompanying transmissions (higher than 60%) are measured at a slight detuning of the probe field from the exact EIT-resonance condition. The system and enhanced cross-Kerr nonlinearities presented here can be applied to quantum information processes

  20. Soliton Trains Induced by Adaptive Shaping with Periodic Traps in Four-Level Ultracold Atom Systems

    International Nuclear Information System (INIS)

    Djouom Tchenkoue, M. L.; Welakuh Mbangheku, D.; Dikandé, Alain M.

    2017-01-01

    It is well known that an optical trap can be imprinted by a light field in an ultracold-atom system embedded in an optical cavity, and driven by three different coherent fields. Of the three fields coexisting in the optical cavity there is an intense control field that induces a giant Kerr nonlinearity via electromagnetically-induced transparency, and another field that creates a periodic optical grating of strength proportional to the square of the associated Rabi frequency. In this work elliptic-soliton solutions to the nonlinear equation governing the propagation of the probe field are considered, with emphasis on the possible generation of optical soliton trains forming a discrete spectrum with well defined quantum numbers. The problem is treated assuming two distinct types of periodic optical gratings and taking into account the negative and positive signs of detunings (detuning above or below resonance). Results predict that the competition between the self-phase and cross-phase modulation nonlinearities gives rise to a rich family of temporal soliton train modes characterized by distinct quantum numbers. (paper)

  1. Soliton Trains Induced by Adaptive Shaping with Periodic Traps in Four-Level Ultracold Atom Systems

    Science.gov (United States)

    Djouom Tchenkoue, M. L.; Welakuh Mbangheku, D.; Dikandé, Alain M.

    2017-06-01

    It is well known that an optical trap can be imprinted by a light field in an ultracold-atom system embedded in an optical cavity, and driven by three different coherent fields. Of the three fields coexisting in the optical cavity there is an intense control field that induces a giant Kerr nonlinearity via electromagnetically-induced transparency, and another field that creates a periodic optical grating of strength proportional to the square of the associated Rabi frequency. In this work elliptic-soliton solutions to the nonlinear equation governing the propagation of the probe field are considered, with emphasis on the possible generation of optical soliton trains forming a discrete spectrum with well defined quantum numbers. The problem is treated assuming two distinct types of periodic optical gratings and taking into account the negative and positive signs of detunings (detuning above or below resonance). Results predict that the competition between the self-phase and cross-phase modulation nonlinearities gives rise to a rich family of temporal soliton train modes characterized by distinct quantum numbers.

  2. Boron deactivation in heavily boron-doped Czochralski silicon during rapid thermal anneal: Atomic level understanding

    International Nuclear Information System (INIS)

    Gao, Chao; Dong, Peng; Yi, Jun; Ma, Xiangyang; Yang, Deren; Lu, Yunhao

    2014-01-01

    The changes in hole concentration of heavily boron (B)-doped Czochralski silicon subjected to high temperature rapid thermal anneal (RTA) and following conventional furnace anneal (CFA) have been investigated. It is found that decrease in hole concentration, namely, B deactivation, is observed starting from 1050 °C and increases with RTA temperature. The following CFA at 300–500 °C leads to further B deactivation, while that at 600–800 °C results in B reactivation. It is supposed that the interaction between B atoms and silicon interstitials (I) thus forming BI pairs leads to the B deactivation during the high temperature RTA, and, moreover, the formation of extended B 2 I complexes results in further B deactivation in the following CFA at 300–500 °C. On the contrary, the dissociation of BI pairs during the following CFA at 600–800 °C enables the B reactivation. Importantly, the first-principles calculation results can soundly account for the above-mentioned supposition

  3. Boron deactivation in heavily boron-doped Czochralski silicon during rapid thermal anneal: Atomic level understanding

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Chao; Dong, Peng; Yi, Jun; Ma, Xiangyang, E-mail: luyh@zju.edu.cn, E-mail: mxyoung@zju.edu.cn; Yang, Deren [State Key Laboratory of Silicon Materials and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Lu, Yunhao, E-mail: luyh@zju.edu.cn, E-mail: mxyoung@zju.edu.cn [International Center for New-Structured Materials and Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2014-01-20

    The changes in hole concentration of heavily boron (B)-doped Czochralski silicon subjected to high temperature rapid thermal anneal (RTA) and following conventional furnace anneal (CFA) have been investigated. It is found that decrease in hole concentration, namely, B deactivation, is observed starting from 1050 °C and increases with RTA temperature. The following CFA at 300–500 °C leads to further B deactivation, while that at 600–800 °C results in B reactivation. It is supposed that the interaction between B atoms and silicon interstitials (I) thus forming BI pairs leads to the B deactivation during the high temperature RTA, and, moreover, the formation of extended B{sub 2}I complexes results in further B deactivation in the following CFA at 300–500 °C. On the contrary, the dissociation of BI pairs during the following CFA at 600–800 °C enables the B reactivation. Importantly, the first-principles calculation results can soundly account for the above-mentioned supposition.

  4. Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics Simulations.

    Directory of Open Access Journals (Sweden)

    Samuel Hertig

    2016-06-01

    Full Text Available Molecular dynamics (MD simulations have become a powerful and popular method for the study of protein allostery, the widespread phenomenon in which a stimulus at one site on a protein influences the properties of another site on the protein. By capturing the motions of a protein's constituent atoms, simulations can enable the discovery of allosteric binding sites and the determination of the mechanistic basis for allostery. These results can provide a foundation for applications including rational drug design and protein engineering. Here, we provide an introduction to the investigation of protein allostery using molecular dynamics simulation. We emphasize the importance of designing simulations that include appropriate perturbations to the molecular system, such as the addition or removal of ligands or the application of mechanical force. We also demonstrate how the bidirectional nature of allostery-the fact that the two sites involved influence one another in a symmetrical manner-can facilitate such investigations. Through a series of case studies, we illustrate how these concepts have been used to reveal the structural basis for allostery in several proteins and protein complexes of biological and pharmaceutical interest.

  5. Development of computing code system for level 3 PSA

    International Nuclear Information System (INIS)

    Jeong, Jong Tae; Yu, Dong Han; Kim, Seung Hwan.

    1997-07-01

    Among the various research areas of the level 3 PSA, the effect of terrain on the transport of radioactive material was investigated through wind tunnel experiment. These results will give a physical insight in the development of a new dispersion model. Because there are some discrepancies between the results from Gaussian plume model and those from field test, the effect of terrain on the atmospheric dispersion was investigated by using CTDMPLUS code. Through this study we find that the model which can treat terrain effect is essential in the atmospheric dispersion of radioactive materials and the CTDMPLUS model can be used as a useful tool. And it is suggested that modification of a model and experimental study should be made through the continuous effort. The health effect assessment near the Yonggwang site by using IPE (Individual plant examination) results and its site data was performed. The health effect assessment is an important part of consequence analysis of a nuclear power plant site. The MACCS was used in the assessment. Based on the calculation of CCDF for each risk measure, it is shown that CCDF has a slow slope and thus wide probability distribution in cases of early fatality, early injury, total early fatality risk, and total weighted early fatality risk. And in cases of cancer fatality and population dose within 48km and 80km, the CCDF curve have a steep slope and thus narrow probability distribution. The establishment of methodologies for necessary models for consequence analysis resulting form a server accident in the nuclear power plant was made and a program for consequence analysis was developed. The models include atmospheric transport and diffusion, calculation of exposure doses for various pathways, and assessment of health effects and associated risks. Finally, the economic impact resulting form an accident in a nuclear power plant was investigated. In this study, estimation models for each cost terms that considered in economic

  6. Development of computing code system for level 3 PSA

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Jong Tae; Yu, Dong Han; Kim, Seung Hwan

    1997-07-01

    Among the various research areas of the level 3 PSA, the effect of terrain on the transport of radioactive material was investigated through wind tunnel experiment. These results will give a physical insight in the development of a new dispersion model. Because there are some discrepancies between the results from Gaussian plume model and those from field test, the effect of terrain on the atmospheric dispersion was investigated by using CTDMPLUS code. Through this study we find that the model which can treat terrain effect is essential in the atmospheric dispersion of radioactive materials and the CTDMPLUS model can be used as a useful tool. And it is suggested that modification of a model and experimental study should be made through the continuous effort. The health effect assessment near the Yonggwang site by using IPE (Individual plant examination) results and its site data was performed. The health effect assessment is an important part of consequence analysis of a nuclear power plant site. The MACCS was used in the assessment. Based on the calculation of CCDF for each risk measure, it is shown that CCDF has a slow slope and thus wide probability distribution in cases of early fatality, early injury, total early fatality risk, and total weighted early fatality risk. And in cases of cancer fatality and population dose within 48km and 80km, the CCDF curve have a steep slope and thus narrow probability distribution. The establishment of methodologies for necessary models for consequence analysis resulting form a server accident in the nuclear power plant was made and a program for consequence analysis was developed. The models include atmospheric transport and diffusion, calculation of exposure doses for various pathways, and assessment of health effects and associated risks. Finally, the economic impact resulting form an accident in a nuclear power plant was investigated. In this study, estimation models for each cost terms that considered in economic

  7. Atomic energy levels of the iron-period elements: potassium through nickel

    International Nuclear Information System (INIS)

    Sugar, J.; Corliss, C.

    1985-01-01

    Experimentally derived energy levels of the elements from potassium to nickel in all stages of ionization are critically compiled. The data for each level include its position in /cm (relative to the ground state), configuration, term designation, J-value, and, where available, the g-value and two leading percentages of the eigenvector composition in the most appropriate coupling scheme. For the He I and H I isoelectronic sequences, calculated level positions are given because they are considered more accurate than the measurements presently available. Ionization energies for each ion are derived either from Rydberg series, extrapolation, or calculation. Complete references are given for the compiled data

  8. Electromagnetic energy as a bridge between atomic and cellular levels in the genetics approach to cancer treatment.

    Science.gov (United States)

    Tofani, Santi

    2015-01-01

    Literature on magnetic fields (MF) and gene expression, as well as on DNA damage, supports the hypothesis that electromagnetic energy may act at atomic level influencing genetic stability. According to quantum physics, MF act on the interconversion of singlet and triplet spin states, and therefore on genetic instability, activating oxidative processes connected to biological free radicals formation, particularly ROS. In the above frame, the results of in vitro and in vivo laboratory trials have been analyzed. The use of a static MF amplitude modulated by 50 Hz MF, with a time average total intensity of 5.5 mT, has been shown to influence tumor cell functions such as cell proliferation, apoptosis, p53 expression, inhibition of tumor growth and prolongation of survival in animals, evidence that MF can be more effective than chemotherapy (cyclophosphamide) in inhibiting metastatic spread and growth, having synergistic activity with chemotherapy (Cis-platin), and no observable side effects or toxicity in animals or in humans. The beneficial biological/clinical effects observed, without any adverse effects, have been confirmed by various authors and augur well for the potentiality of this new approach to treat genetically based diseases like cancer. Further studies are needed to develop a quantum physics approach to biology, allowing a stable bridge to be built between atomic and cellular levels, therefore developing quantum biology.

  9. Out-of-Core Computations of High-Resolution Level Sets by Means of Code Transformation

    DEFF Research Database (Denmark)

    Christensen, Brian Bunch; Nielsen, Michael Bang; Museth, Ken

    2012-01-01

    We propose a storage efficient, fast and parallelizable out-of-core framework for streaming computations of high resolution level sets. The fundamental techniques are skewing and tiling transformations of streamed level set computations which allow for the combination of interface propagation, re...... computations are now CPU bound and consequently the overall performance is unaffected by disk latency and bandwidth limitations. We demonstrate this with several benchmark tests that show sustained out-of-core throughputs close to that of in-core level set simulations....

  10. Energetic and electronic computation of the two-hydrogen atom donation process in catecholic and non-catecholic anthocyanidins.

    Science.gov (United States)

    Ali, Hussein M; Ali, Isra H

    2018-03-15

    Antioxidant activity of anthocyanidins is greatly affected by the 3-hydroxyl group and/or a catecholic moiety. The two-hydrogen atom donation process is frequently used to explain the high antioxidant activity of polyphenolic compounds leading to the formation of stable diketones e.g. 1,2-quinones. Thermodynamic parameters, HOMO and spin density were computed to identify the favoured path, either through the 3-hydroxyl group or through the catecholic moiety in a series of catecholic and non-catecholic 3-oxy- (and deoxy)-anthocyanidins. DFT calculations showed that the donation process in non-catecholic anthocyanidins depended on the substituents on ring B. Anthocyanidins with 3',5'-diOMe groups showed donation through 3,4'-OH or, otherwise, through 3,5-OH groups. Catecholic 3-oxyanthocyanidins, on the other hand, showed donation through the 3,4'-OH path rather than the catecholic path (4',3'-path). The 3,4'-path was favoured by the formation of planar 3-radicals in the first step and the stabilization of 4'-radicals in the second step by H-bonding with the 3'-OH group. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Defects and impurities in silicon materials an introduction to atomic-level silicon engineering

    CERN Document Server

    Langouche, Guido

    2015-01-01

    This book emphasizes the importance of the fascinating atomistic insights into the defects and the impurities as well as the dynamic behaviors in silicon materials, which have become more directly accessible over the past 20 years. Such progress has been made possible by newly developed experimental methods, first principle theories, and computer simulation techniques. The book is aimed at young researchers, scientists, and technicians in related industries. The main purposes are to provide readers with 1) the basic physics behind defects in silicon materials, 2) the atomistic modeling as well as the characterization techniques related to defects and impurities in silicon materials, and 3) an overview of the wide range of the research fields involved.

  12. Ab-initio atomic level stress and role of d-orbitals in CuZr, CuZn and CuY

    Science.gov (United States)

    Ojha, Madhusudan; Nicholson, Don M.; Egami, Takeshi

    2015-03-01

    Atomic level stress offers a new tool to characterize materials within the local approximation to density functional theory (DFT). Ab-initio atomic level stresses in B2 structures of CuZr, CuZn and CuY are calculated and results are explained on the basis of d-orbital contributions to Density of States (DOS). The overlap of d-orbital DOS plays an important role in the relative magnitude of atomic level stresses in these structures. The trends in atomic level stresses that we observed in these simple B2 structures are also seen in complex structures such as liquids, glasses and solid solutions. The stresses are however modified by the different coordination and relaxed separation distances in these complex structures. We used the Locally Self-Consistent Multiple Scattering (LSMS) code and Vienna Ab-initio Simulation Package (VASP) for ab-initio calculations.

  13. Mixture of Electromagnetically Induced Transparency and Autler–Townes Splitting in a Five-Level Atomic System

    International Nuclear Information System (INIS)

    Zhang Xiao-Yun; Wu Shan; Li Hai-Chao

    2017-01-01

    Discerning electromagnetically induced transparency (EIT) from Autler–Townes splitting (ATS) is a significant issue in quantum optics and has attracted wide attention in various three-level configurations. Here we present a detailed study of EIT and ATS in a five-level atomic system considered to be composed of a four-level Y-type subsystem and a three-level Λ-type subsystem. In our theoretical calculations with standard density matrix formalism and steady-state approximation, we obtain the general analytical expression of the first-order matrix element responsible for the probe-field absorption. In light of the well-known three-level EIT and ATS criteria, we numerically show an intersection of EIT with ATS for the Y-type subsystem. Furthermore, we show that an EIT dip is sandwiched between two ATS dips (i.e., multi-dip mixture of EIT and ATS) in the absorption line for the five-level system, which can be explained by the dressed-state theory and Fano interference. (paper)

  14. Accelerating NLTE radiative transfer by means of the Forth-and-Back Implicit Lambda Iteration: A two-level atom line formation in 2D Cartesian coordinates

    Science.gov (United States)

    Milić, Ivan; Atanacković, Olga

    2014-10-01

    State-of-the-art methods in multidimensional NLTE radiative transfer are based on the use of local approximate lambda operator within either Jacobi or Gauss-Seidel iterative schemes. Here we propose another approach to the solution of 2D NLTE RT problems, Forth-and-Back Implicit Lambda Iteration (FBILI), developed earlier for 1D geometry. In order to present the method and examine its convergence properties we use the well-known instance of the two-level atom line formation with complete frequency redistribution. In the formal solution of the RT equation we employ short characteristics with two-point algorithm. Using an implicit representation of the source function in the computation of the specific intensities, we compute and store the coefficients of the linear relations J=a+bS between the mean intensity J and the corresponding source function S. The use of iteration factors in the ‘local’ coefficients of these implicit relations in two ‘inward’ sweeps of 2D grid, along with the update of the source function in other two ‘outward’ sweeps leads to four times faster solution than the Jacobi’s one. Moreover, the update made in all four consecutive sweeps of the grid leads to an acceleration by a factor of 6-7 compared to the Jacobi iterative scheme.

  15. Optical gain in an optically driven three-level ? system in atomic Rb vapor

    Science.gov (United States)

    Ballmann, C. W.; Yakovlev, V. V.

    2018-06-01

    In this work, we report experimentally achieved optical gain of a weak probe beam in a three-level ? system in a low density Rubidium vapor cell driven by a single pump beam. The maximum measured gain of the probe beam was about 0.12%. This work could lead to new approaches for enhancing molecular spectroscopy applications.

  16. Does the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational study.

    Science.gov (United States)

    Biswas, Abul Kalam; Barik, Sunirmal; Das, Amitava; Ganguly, Bishwajit

    2016-06-01

    We have reported a number of new metal-free organic dyes (2-6) that have cyclic asymmetric benzotripyrrole derivatives as donor groups with peripheral nitrogen atoms in the ring, fluorine and thiophene groups as π-spacers, and a cyanoacrylic acid acceptor group. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were employed to examine the influence of the position of the donor nitrogen atom and π-conjugation on solar cell performance. The calculated electron-injection driving force (ΔG inject), electron-regeneration driving force (ΔG regen), light-harvesting efficiency (LHE), dipole moment (μ normal), and number of electrons transferred (∆q) indicate that dyes 3, 4, and 6 have significantly higher efficiencies than reference dye 1, which exhibits high efficiency. We also extended our comparison to some other reported dyes, 7-9, which have a donor nitrogen atom in the middle of the ring system. The computed results suggest that dye 6 possesses a higher incident photon to current conversion efficiency (IPCE) than reported dyes 7-9. Thus, the use of donor groups with peripheral nitrogen atoms appears to lead to more efficient dyes than those in which the nitrogen atom is present in the middle of the donor ring system. Graphical Abstract The locations of the nitrogen atoms in the donor groups in the designed dye molecules have an important influence on DSSC efficiency.

  17. Final technical position on documentation of computer codes for high-level waste management

    International Nuclear Information System (INIS)

    Silling, S.A.

    1983-06-01

    Guidance is given for the content of documentation of computer codes which are used in support of a license application for high-level waste disposal. The guidelines cover theoretical basis, programming, and instructions for use of the code

  18. Computational evaluation of sub-nanometer cluster activity of singly exposed copper atom with various coordinative environment in catalytic CO{sub 2} transformation

    Energy Technology Data Exchange (ETDEWEB)

    Shanmugam, Ramasamy [Department of Chemistry, Thiagarajar College, Madurai, Tamilnadu 625 009 (India); National Center for Catalysis Research, Indian Institute of Technology Madras, Chennai, Tamilnadu 600 036 (India); Thamaraichelvan, Arunachalam [Faculty of Allied Health Sciences, Chettinad Hospital & Research Institute, Kelambakkam, Tamilnadu 603 103 (India); Ganesan, Tharumeya Kuppusamy [Department of Chemistry, The American College, Madurai, Tamilnadu 625 002 (India); Viswanathan, Balasubramanian, E-mail: bvnathan@iitm.ac.in [National Center for Catalysis Research, Indian Institute of Technology Madras, Chennai, Tamilnadu 600 036 (India)

    2017-02-28

    Highlights: • On interaction with adsorbate CO{sub 2,} the adsorbent changes its configuration around the metal. • Electron transfer is faster in low coordinative environment of Cu. • CO formation is more favorable on Cu sites with even coordination number. • Cu at coordination number two has a over potential of −0.35 V. - Abstract: Metal cluster, at sub-nanometer level has a unique property in the activation of small molecules, in contrast to that of bulk surface. In the present work, singly exposed active site of copper metal cluster at sub-nanometer level was designed to arrive at the energy minimised configurations, binding energy, electrostatic potential map, frontier molecular orbitals and partial density of states. The ab initio molecular dynamics was carried out to probe the catalytic nature of the cluster. Further, the stability of the metal cluster and its catalytic activity in the electrochemical reduction of CO{sub 2} to CO were evaluated by means of computational hydrogen electrode via calculation of the free energy profile using DFT/B3LYP level of theory in vacuum. The activity of the cluster is ascertained from the fact that the copper atom, present in a two coordinative environment, performs a more selective conversion of CO{sub 2} to CO at an applied potential of −0.35 V which is comparatively lower than that of higher coordinative sites. The present study helps to design any sub-nano level metal catalyst for electrochemical reduction of CO{sub 2} to various value added chemicals.

  19. Investigation of the energy levels of the gadolinium atom using resonance ionization mass spectrometry

    International Nuclear Information System (INIS)

    Kim, Jin Tae; Yi, Jong Hoon; Rhee, Yong Joo; Lee, Jong Min

    2000-01-01

    We have investigated the ionization processes, the energy values, and the strengths of ion signals by using a dye laser frequency in the ultra-violet range with one-color multi-photon ionization. Also, two color multi-photon ionization by using another near infrared photon has been done to investigate energy levels with odd-parity in the energy range of between 35500 cm -1 and 37700 cm -1

  20. Investigation of the energy levels of the gadolinium atom using resonance ionization mass spectrometry

    CERN Document Server

    Kim, J T; Rhee, Y J; Lee, J M

    2000-01-01

    We have investigated the ionization processes, the energy values, and the strengths of ion signals by using a dye laser frequency in the ultra-violet range with one-color multi-photon ionization. Also, two color multi-photon ionization by using another near infrared photon has been done to investigate energy levels with odd-parity in the energy range of between 35500 cm sup - sup 1 and 37700 cm sup - sup 1

  1. Relationship between atomically related core levels and ground state properties of solids: first-principles calculations

    Czech Academy of Sciences Publication Activity Database

    Vackář, Jiří; Šipr, Ondřej; Šimůnek, Antonín

    2008-01-01

    Roč. 77, č. 4 (2008), 045112/1-045112/6 ISSN 1098-0121 R&D Projects: GA AV ČR IAA100100514; GA AV ČR(CZ) IAA100100637 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521 Keywords : core levels * ab-initio calculations * electronic states * ground state properties Subject RIV: BE - Theoretical Physics Impact factor: 3.322, year: 2008

  2. Assessment of environmental gamma radiation levels in the environs of Narora Atomic Power Station (NAPS)

    International Nuclear Information System (INIS)

    Shetty, P.G.; Takale, R.A.; Swarnkar, M.; Sahu, S.K.; Pandit, G.G.; Puranik, V.D.

    2011-01-01

    As a part of the assessment of the environmental impact of the Indian nuclear power programme, radiation surveys are being carried out on continuous basis in the environs of all the nuclear facilities in India using Thermoluminescent Dosimeters. This paper discusses the environmental gamma radiation levels based on the analysis of data generated for year 1989-2009 at twenty-eight locations currently being monitored in and around the environs of NAPS using passive dosimeter. Of these, six are within the exclusion zone (1.6 km) while the remaining twenty two locations are spread over an aerial distance of twenty six km from reactor stack. The annual background gamma levels for NAPS site beyond 1.6 km exclusion zone based on twenty-two monitoring locations are evaluated and seen to be 1.20 ± 0.15 mGy/a. This is comparable with earlier reported pre-operational value 1.24 ± 0.26 mGy/a. From this it can be said that the reactor operations have not contributed to any increase in the gamma radiation levels in the environs of the NAPS region. (author)

  3. Computer simulation of migration atomic mechanism and substitutional impurity interaction with screw dislocation core in bcc lattice

    International Nuclear Information System (INIS)

    Klyavin, O.V.; Likhodedov, N.P.; Orlov, A.N.

    1986-01-01

    Distribution and migration of substitutional impurity atoms (He and C) in the screw dislocation core of the 1/2 type is studied in α-Fe. The atomic mechanism of impurity atom diffusion over screw dislocation core, consisting in the fact that impurity migration proceeds in a screw trajectory, is discovered and analyzed. It is shown that tubular He diffusion over screw dislocation may proceed at T <= 300 K

  4. QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations.

    Science.gov (United States)

    Valdés-Martiní, José R; Marrero-Ponce, Yovani; García-Jacas, César R; Martinez-Mayorga, Karina; Barigye, Stephen J; Vaz d'Almeida, Yasser Silveira; Pham-The, Hai; Pérez-Giménez, Facundo; Morell, Carlos A

    2017-06-07

    chemical structure defined by diagonal coefficients in matrix representations; and (f) several aggregation operators (invariants) applied over atom/bond-level descriptors in order to compute global indices. This software permits the parallel computation of the indices, contains a batch processing module and data curation functionalities. This program was developed in Java v1.7 using the Chemistry Development Kit library (version 1.4.19). The QuBiLS-MAS software consists of two components: a desktop interface (GUI) and an API library allowing for the easy integration of the latter in chemoinformatics applications. The relevance of the novel extensions and generalizations implemented in this software is demonstrated through three studies. Firstly, a comparative Shannon's entropy based variability study for the proposed QuBiLS-MAS and the DRAGON indices demonstrates superior performance for the former. A principal component analysis reveals that the QuBiLS-MAS approach captures chemical information orthogonal to that codified by the DRAGON descriptors. Lastly, a QSAR study for the binding affinity to the corticosteroid-binding globulin using Cramer's steroid dataset is carried out. From these analyses, it is revealed that the QuBiLS-MAS approach for atom-pair relations yields similar-to-superior performance with regard to other QSAR methodologies reported in the literature. Therefore, the QuBiLS-MAS approach constitutes a useful tool for the diversity analysis of chemical compound datasets and high-throughput screening of structure-activity data.

  5. Computing many-body wave functions with guaranteed precision: the first-order Møller-Plesset wave function for the ground state of helium atom.

    Science.gov (United States)

    Bischoff, Florian A; Harrison, Robert J; Valeev, Edward F

    2012-09-14

    We present an approach to compute accurate correlation energies for atoms and molecules using an adaptive discontinuous spectral-element multiresolution representation for the two-electron wave function. Because of the exponential storage complexity of the spectral-element representation with the number of dimensions, a brute-force computation of two-electron (six-dimensional) wave functions with high precision was not practical. To overcome the key storage bottlenecks we utilized (1) a low-rank tensor approximation (specifically, the singular value decomposition) to compress the wave function, and (2) explicitly correlated R12-type terms in the wave function to regularize the Coulomb electron-electron singularities of the Hamiltonian. All operations necessary to solve the Schrödinger equation were expressed so that the reconstruction of the full-rank form of the wave function is never necessary. Numerical performance of the method was highlighted by computing the first-order Møller-Plesset wave function of a helium atom. The computed second-order Møller-Plesset energy is precise to ~2 microhartrees, which is at the precision limit of the existing general atomic-orbital-based approaches. Our approach does not assume special geometric symmetries, hence application to molecules is straightforward.

  6. Differences on the Level of Social Skills between Freshman Computer Gamers and Non-Gamers

    Directory of Open Access Journals (Sweden)

    Joseph B. Campit

    2015-02-01

    Full Text Available Computer games play a large role in socialization and the consequences of playing them have been a topic of debates. This observation led the researcher to conduct the study about the influence of computer games on the social skills of the BSIT first year students of Pangasinan State University, Bayambang Campus, during school year 2012-2013. This study determined the profile of the 115 BSIT first year students according to: preferred computer games and frequency of playing. It investigated the level of social skills among playing and non-playing gamers. This study used the descriptive-comparative method of research. It was found out that crossfire was the most preferred computer game played at least once a week. Computer gamers had lower social skills than non-computer gamers. Gamers have more negative social behaviors compared to non-gamers and there is a negative effect of playing computer games on the level of social skills among first year students. There is a significant difference in the level of social skills of the students when grouped according to frequency of playing computer games. Students who play computer games everyday had significantly lower social skills than who play once a week. Thus, parents and teachers should give proper guidance in the limitation of playing computer games and the choice of games. Teachers should organize seminars on the awareness of the influence and negative effects of violent computer games on social skills. And students should choose educational over violent games to enhance their knowledge and social skills.

  7. Stability of various entanglements in the interaction between two two-level atoms with a quantized field under the influences of several decay sources

    Science.gov (United States)

    Valizadeh, Sh.; Tavassoly, M. K.; Yazdanpanah, N.

    2018-02-01

    In this paper the interaction between two two-level atoms with a single-mode quantized field is studied. To achieve exact information about the physical properties of the system, one should take into account various sources of dissipation such as photon leakage of cavity, spontaneous emission rate of atoms, internal thermal radiation of cavity and dipole-dipole interaction between the two atoms. In order to achieve the desired goals, we obtain the time evolution of the associated density operator by solving the time-dependent Lindblad equation corresponding to the system. Then, we evaluate the temporal behavior of total population inversion and quantum entanglement between the evolved subsystems, numerically. We clearly show that how the damping parameters affect on the dynamics of considered properties. By analyzing the numerical results, we observe that increasing each of the damping sources leads to faster decay of total population inversion. Also, it is observed that, after starting the interaction, the entanglement between one atom with other parts of the system as well as the entanglement between "atom-atom" subsystem and the "field", tend to some constant values very soon. Moreover, the stable values of entanglement are reduced via increasing the damping factor Γ A (ΓA^{(1)} = ΓA^{(2)} = ΓA ) where ΓA is the spontaneous emission rate of each atom. In addition, we find that by increasing the thermal photons, the entropies (entanglements) tend sooner to some increased stable values. Accordingly, we study the atom-atom entanglement by evaluating the concurrence under the influence of dissipation sources, too. At last, the effects of dissipation sources on the genuine tripartite entanglement between the three subsystems include of two two-level atoms and a quantized field are numerically studied. Due to the important role of stationary entanglement in quantum information processing, our results may provide useful hints for practical protocols which require

  8. Cloud Computing: The Level of Awareness Amongst Small & Medium-sized Enterprises (SMEs) in Developing Economies

    DEFF Research Database (Denmark)

    Yeboah-Boateng, Ezer Osei; Essandoh, Kofi Asare

    2013-01-01

    Cloud computing services are being touted as a major enabler for small businesses lately. This new paradigm is seen to offer unique opportunities to small and medium enterprises (SMEs) worldwide and developing economies are no exception. It presents SMEs access to similar technologies available...... indicated that a slight majority of the respondents were familiar with cloud computing on the individual level but the level of awareness amongst the larger SME industry was low to medium. The finding therefore recommends education and sensitization on cloud computing in order to increase awareness...... to their larger counterparts and those in the developed world which inherently creates innovativeness, increases competitive advantage and impacts their operations and processes. This paper seeks to determine the level of awareness and familiarity with this emerging computing paradigm. The results of the study...

  9. Nonlinear Absorption-Gain Response and Population Dynamics in a Laser-Driven Four-Level Dense Atomic System

    International Nuclear Information System (INIS)

    Li Jiahua; Liu Jibing; Luo Jinming; Xie Xiaotao

    2006-01-01

    We theoretically investigate the response of nonlinear absorption and population dynamics in optically dense media of four-level atoms driven by a single-mode probe laser, via taking the density-dependent near dipole-dipole (NDD) interactions into consideration. The influence of the NDD effects on the absorption of the probe field and population dynamics is predicted via numerical calculations. It is shown that the NDD effects can reduce gradually to transient absorption with the increase of the strengths of the NDD interactions, and transient amplification can be achieved. In the steady-state limit, the probe field exhibits transparency for strong NDD interactions. Alternatively, the population entirely remains at the ground state due to the NDD effects.

  10. Calculation of spontaneous emission from a V-type three-level atom in photonic crystals using fractional calculus

    International Nuclear Information System (INIS)

    Huang, Chih-Hsien; Hsieh, Wen-Feng; Wu, Jing-Nuo; Cheng, Szu-Cheng; Li, Yen-Yin

    2011-01-01

    Fractional time derivative, an abstract mathematical operator of fractional calculus, is used to describe the real optical system of a V-type three-level atom embedded in a photonic crystal. A fractional kinetic equation governing the dynamics of the spontaneous emission from this optical system is obtained as a fractional Langevin equation. Solving this fractional kinetic equation by fractional calculus leads to the analytical solutions expressed in terms of fractional exponential functions. The accuracy of the obtained solutions is verified through reducing the system into the special cases whose results are consistent with the experimental observation. With accurate physical results and avoiding the complex integration for solving this optical system, we propose fractional calculus with fractional time derivative as a better mathematical method to study spontaneous emission dynamics from the optical system with non-Markovian dynamics.

  11. Temporal Bell-type inequalities for two-level Rydberg atoms coupled to a high-Q resonator

    International Nuclear Information System (INIS)

    Huelga, S.F.; Marshall, T.W.; Santos, E.

    1996-01-01

    Following the strategy of showing specific quantum effects by means of the violation of a classical inequality, a pair of Bell-type inequalities is derived on the basis of certain additional assumptions, whose plausibility is discussed in detail. Such inequalities are violated by the quantum mechanical predictions for the interaction of a two-level Rydberg atom with a single mode sustained by a high-Q resonator. The experimental conditions required in order to show the existence of forbidden values, according to a hidden variables formalism, in a real experiment are analyzed for various initial field statistics. In particular, the revival dynamics expected for the interaction with a coherent field leads to classically forbidden values, which would indicate a purely quantum effect. copyright 1996 The American Physical Society

  12. Strong-field spatiotemporal ultrafast coherent control in three-level atoms

    International Nuclear Information System (INIS)

    Bruner, Barry D.; Suchowski, Haim; Silberberg, Yaron; Vitanov, Nikolay V.

    2010-01-01

    Simple analytical approaches for implementing strong field coherent control schemes are often elusive due to the complexity of the interaction between the intense excitation field and the system of interest. Here, we demonstrate control over multiphoton excitation in a three-level resonant system using simple, analytically derived ultrafast pulse shapes. We utilize a two-dimensional spatiotemporal control technique, in which temporal focusing produces a spatially dependent quadratic spectral phase, while a second, arbitrary phase parameter is scanned using a pulse shaper. In the current work, we demonstrate weak-to-strong field excitation of 85 Rb, with a π phase step and the quadratic phase as the chosen control parameters. The intricate dependence of the multilevel dynamics on these parameters is exhibited by mapping the data onto a two-dimensional control landscape. Further insight is gained by simulating the complete landscape using a dressed-state, time-domain model, in which the influence of individual shaping parameters can be extracted using both exact and asymptotic time-domain representations of the dressed-state energies.

  13. Investigating the properties and interaction mechanism of nano-silica in polyvinyl alcohol/polyacrylamide blends at an atomic level.

    Science.gov (United States)

    Wei, Qinghua; Wang, Yanen; Wang, Shuzhi; Zhang, Yingfeng; Chen, Xiongbiao

    2017-11-01

    The nano-silica can be incorporated into polymers for improved mechanical properties. Notably, the interaction between nano-silica and polymer is of a microscopic phenomenon and thus, hard to observe and study by using experimental methods. Based on molecular dynamics, this paper presents a study on the properties and the interaction mechanism of nano-silica in the polyvinyl alcohol (PVA)/polyacrylamide (PAM) blends at an atomic level. Specifically, six blends of PVA/PAM with varying concentrations of nano-silica (0-13wt%) and two interfacial interaction models of polymers on the silica surface were designed and analyzed at an atomic level in terms of concentration profile, mechanical properties, fractional free volume (FFV), dynamic properties of polymers and X-ray diffraction patterns. The concentration profile results and micromorphologies of equilibrium models suggest PAM molecular chains are easier to be adsorbed on the silica surface than PVA molecular chains in blends. The incorporation of nano-silica into the PVA/PAM blends can increase the blend mechanical properties, densities, and semicrystalline character. Meanwhile, the FFV and the mobility of polymer chain decrease with the silica concentration, which agrees with the results of mechanical properties, densities, and semicrystalline character. Our results also illustrate that an analysis of binding energies and pair correlation functions (PCF) allows for the discovery of the interaction mechanism of nano-silica in PVA/PAM blends; and that hydrogen bond interactions between polar functional groups of polymer molecular chains and the hydroxyl groups of the silica surface are involved in adsorption of the polymers on the silica surface, thus affecting the interaction mechanism of nano-silica in PVA/PAM blend systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Atomic and molecular physics - Ions in solids - Laser systems. Courses, corrected exercises and problems Level M1/M2

    International Nuclear Information System (INIS)

    Cremer, Georgette-Laura; Moncorge, Richard; Chesnel, Jean-Yves; Adoui, Lamri; Lelievre, Gerard

    2010-01-01

    This document proposes the table of contents and a brief presentation of a course book for students in atomic and molecular physics. After some generalities on energy quantification and on photon momentum / Compton Effect, the different chapters address topics like hydrogen and helium atoms, alkalis, alkaline-earth, atoms with several valence electrons, the atom-radiation interaction, molecule and ion spectroscopy in solids, and the most significant laser systems using an active media based on atoms, ions or molecules in a diluted environment. Each chapter contains exercises and problems

  15. Biomedical applications of accelerator mass spectrometry-isotope measurements at the level of the atom.

    Science.gov (United States)

    Barker, J; Garner, R C

    1999-01-01

    Accelerator mass spectrometry (AMS) is a nuclear physics technique developed about twenty years ago, that uses the high energy (several MeV) of a tandem Van de Graaff accelerator to measure very small quantities of rare and long-lived isotopes. Elements that are of interest in biomedicine and environmental sciences can be measured, often to parts per quadrillion sensitivity, i.e. zeptomole to attomole levels (10(-21)-10(-18) mole) from milligram samples. This is several orders of magnitude lower than that achievable by conventional decay counting techniques, such as liquid scintillation counting (LSC). AMS was first applied to geochemical, climatological and archaeological areas, such as for radiocarbon dating (Shroud of Turin), but more recently this technology has been used for bioanalytical applications. In this sphere, most work has been conducted using aluminium, calcium and carbon isotopes. The latter is of special interest in drug metabolism studies, where a Phase 1 adsorption, distribution, metabolism and excretion (ADME) study can be conducted using only 10 nanoCurie (37 Bq or ca. 0.9 microSv) amounts or less of 14C-labelled drugs. In the UK, these amounts of radioactivity are below those necessary to request specific regulatory approval from the Department of Health's Administration of Radioactive Substances Advisory Committee (ARSAC), thus saving on valuable development time and resources. In addition, the disposal of these amounts is much less an environmental issue than that associated with microCurie quantities, which are currently used. Also, AMS should bring an opportunity to conduct "first into man" studies without the need for widespread use of animals. Centre for Biomedical Accelerator Mass Spectrometry (CBAMS) Ltd. is the first fully commercial company in the world to offer analytical services using AMS. With its high throughput and relatively low costs per sample analysis, AMS should be of great benefit to the pharmaceutical and biotechnology

  16. High level language for measurement complex control based on the computer E-100I

    Science.gov (United States)

    Zubkov, B. V.

    1980-01-01

    A high level language was designed to control the process of conducting an experiment using the computer "Elektrinika-1001". Program examples are given to control the measuring and actuating devices. The procedure of including these programs in the suggested high level language is described.

  17. Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, A.J. [Colorado School of Mines, Golden, CO (United States); Berry, G.; Rockett, A. [Univ. of Illinois, Urbana-Champaign, IL (United States)] [and others

    1997-04-01

    Core-level and valence band photoemission from semiconductors has been shown to exhibit binding energy differences between surface atoms and bulk atoms, thus allowing one to unambiguously distinguish between the two atomic positions. Quite clearly, surface atoms experience a potential different from the bulk due to the lower coordination number - a characteristic feature of any surface is the incomplete atomic coordination. Theoretical accounts of this phenomena are well documented in the literature for III-V and II-VI semiconductors. However, surface state energies corresponding to the equilibrium geometry of (100) and (111) surfaces of Cu-based ternary chalcopyrite semiconductors have not been calculated or experimental determined. These compounds are generating great interest for optoelectronic and photovoltaic applications, and are an isoelectronic analog of the II-VI binary compound semiconductors. Surface core-level binding energy shifts depend on the surface cohesive energies, and surface cohesive energies are related to surface structure. For ternary compound semiconductor surfaces, such as CuInSe{sub 2}, one has the possibility of variations in surface stoichiometry. Applying standard thermodynamical calculations which consider the number of individual surface atoms and their respective chemical potentials should allow one to qualitatively determine the magnitude of surface core-level shifts and, consequently, surface state energies.

  18. Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe2

    International Nuclear Information System (INIS)

    Nelson, A.J.; Berry, G.; Rockett, A.

    1997-01-01

    Core-level and valence band photoemission from semiconductors has been shown to exhibit binding energy differences between surface atoms and bulk atoms, thus allowing one to unambiguously distinguish between the two atomic positions. Quite clearly, surface atoms experience a potential different from the bulk due to the lower coordination number - a characteristic feature of any surface is the incomplete atomic coordination. Theoretical accounts of this phenomena are well documented in the literature for III-V and II-VI semiconductors. However, surface state energies corresponding to the equilibrium geometry of (100) and (111) surfaces of Cu-based ternary chalcopyrite semiconductors have not been calculated or experimental determined. These compounds are generating great interest for optoelectronic and photovoltaic applications, and are an isoelectronic analog of the II-VI binary compound semiconductors. Surface core-level binding energy shifts depend on the surface cohesive energies, and surface cohesive energies are related to surface structure. For ternary compound semiconductor surfaces, such as CuInSe 2 , one has the possibility of variations in surface stoichiometry. Applying standard thermodynamical calculations which consider the number of individual surface atoms and their respective chemical potentials should allow one to qualitatively determine the magnitude of surface core-level shifts and, consequently, surface state energies

  19. Enhancing Security by System-Level Virtualization in Cloud Computing Environments

    Science.gov (United States)

    Sun, Dawei; Chang, Guiran; Tan, Chunguang; Wang, Xingwei

    Many trends are opening up the era of cloud computing, which will reshape the IT industry. Virtualization techniques have become an indispensable ingredient for almost all cloud computing system. By the virtual environments, cloud provider is able to run varieties of operating systems as needed by each cloud user. Virtualization can improve reliability, security, and availability of applications by using consolidation, isolation, and fault tolerance. In addition, it is possible to balance the workloads by using live migration techniques. In this paper, the definition of cloud computing is given; and then the service and deployment models are introduced. An analysis of security issues and challenges in implementation of cloud computing is identified. Moreover, a system-level virtualization case is established to enhance the security of cloud computing environments.

  20. Computized analysis of diagnostic level in breast diseases and frequency of their clinicoroentgenological symptoms

    International Nuclear Information System (INIS)

    Babij, Ya.S.; Krakhmaleva, L.P.; Shumakov, A.G.

    1988-01-01

    A standardized chart with a list of clinicoroentgenological symptoms of the most frequent mammary gland diseases is developed. The data of computer analysis of the diagnostics level and the frequency of clinicoroentgenological symptoms of different diseases of the mammary gland are given. The data obtained can be used for conventional and computer diagnostics of mammary gland diseases, as well as as a basis for the further study of semiotics of different pathological processes in the mammary gland. 22 refs

  1. Enhanced fault-tolerant quantum computing in d-level systems.

    Science.gov (United States)

    Campbell, Earl T

    2014-12-05

    Error-correcting codes protect quantum information and form the basis of fault-tolerant quantum computing. Leading proposals for fault-tolerant quantum computation require codes with an exceedingly rare property, a transversal non-Clifford gate. Codes with the desired property are presented for d-level qudit systems with prime d. The codes use n=d-1 qudits and can detect up to ∼d/3 errors. We quantify the performance of these codes for one approach to quantum computation known as magic-state distillation. Unlike prior work, we find performance is always enhanced by increasing d.

  2. Hydration level is an internal variable for computing motivation to obtain water rewards in monkeys.

    Science.gov (United States)

    Minamimoto, Takafumi; Yamada, Hiroshi; Hori, Yukiko; Suhara, Tetsuya

    2012-05-01

    In the process of motivation to engage in a behavior, valuation of the expected outcome is comprised of not only external variables (i.e., incentives) but also internal variables (i.e., drive). However, the exact neural mechanism that integrates these variables for the computation of motivational value remains unclear. Besides, the signal of physiological needs, which serves as the primary internal variable for this computation, remains to be identified. Concerning fluid rewards, the osmolality level, one of the physiological indices for the level of thirst, may be an internal variable for valuation, since an increase in the osmolality level induces drinking behavior. Here, to examine the relationship between osmolality and the motivational value of a water reward, we repeatedly measured the blood osmolality level, while 2 monkeys continuously performed an instrumental task until they spontaneously stopped. We found that, as the total amount of water earned increased, the osmolality level progressively decreased (i.e., the hydration level increased) in an individual-dependent manner. There was a significant negative correlation between the error rate of the task (the proportion of trials with low motivation) and the osmolality level. We also found that the increase in the error rate with reward accumulation can be well explained by a formula describing the changes in the osmolality level. These results provide a biologically supported computational formula for the motivational value of a water reward that depends on the hydration level, enabling us to identify the neural mechanism that integrates internal and external variables.

  3. Inverse associations between obesity indicators and thymic T-cell production levels in aging atomic-bomb survivors.

    Directory of Open Access Journals (Sweden)

    Kengo Yoshida

    Full Text Available Reduction of the naive T-cell population represents a deteriorating state in the immune system that occurs with advancing age. In animal model studies, obesity compromises the T-cell immune system as a result of enhanced adipogenesis in primary lymphoid organs and systemic inflammation. In this study, to test the hypothesis that obesity may contribute to the aging of human T-cell immunity, a thousand atomic-bomb survivors were examined for obesity status and ability to produce naive T cells, i.e., T-cell receptor excision circle (TREC numbers in CD4 and CD8 T cells. The number of TRECs showed a strong positive correlation with naive T cell numbers, and lower TREC numbers were associated with higher age. We found that the TREC number was inversely associated with levels of obesity indicators (BMI, hemoglobin A1c and serum CRP levels. Development of type-2 diabetes and fatty liver was also associated with lower TREC numbers. This population study suggests that obesity with enhanced inflammation is involved in aging of the human T-cell immune system. Given the fact that obesity increases the risk of numerous age-related diseases, attenuated immune competence is a possible mechanistic link between obesity and disease development among the elderly.

  4. Inverse associations between obesity indicators and thymic T-cell production levels in aging atomic-bomb survivors.

    Science.gov (United States)

    Yoshida, Kengo; Nakashima, Eiji; Kubo, Yoshiko; Yamaoka, Mika; Kajimura, Junko; Kyoizumi, Seishi; Hayashi, Tomonori; Ohishi, Waka; Kusunoki, Yoichiro

    2014-01-01

    Reduction of the naive T-cell population represents a deteriorating state in the immune system that occurs with advancing age. In animal model studies, obesity compromises the T-cell immune system as a result of enhanced adipogenesis in primary lymphoid organs and systemic inflammation. In this study, to test the hypothesis that obesity may contribute to the aging of human T-cell immunity, a thousand atomic-bomb survivors were examined for obesity status and ability to produce naive T cells, i.e., T-cell receptor excision circle (TREC) numbers in CD4 and CD8 T cells. The number of TRECs showed a strong positive correlation with naive T cell numbers, and lower TREC numbers were associated with higher age. We found that the TREC number was inversely associated with levels of obesity indicators (BMI, hemoglobin A1c) and serum CRP levels. Development of type-2 diabetes and fatty liver was also associated with lower TREC numbers. This population study suggests that obesity with enhanced inflammation is involved in aging of the human T-cell immune system. Given the fact that obesity increases the risk of numerous age-related diseases, attenuated immune competence is a possible mechanistic link between obesity and disease development among the elderly.

  5. Quantum metrology of phase for accelerated two-level atom coupled with electromagnetic field with and without boundary

    Science.gov (United States)

    Yang, Ying; Liu, Xiaobao; Wang, Jieci; Jing, Jiliang

    2018-03-01

    We study how to improve the precision of the quantum estimation of phase for an uniformly accelerated atom in fluctuating electromagnetic field by reflecting boundaries. We find that the precision decreases with increases of the acceleration without the boundary. With the presence of a reflecting boundary, the precision depends on the atomic polarization, position and acceleration, which can be effectively enhanced compared to the case without boundary if we choose the appropriate conditions. In particular, with the presence of two parallel reflecting boundaries, we obtain the optimal precision for atomic parallel polarization and the special distance between two boundaries, as if the atom were shielded from the fluctuation.

  6. A Multi-step and Multi-level approach for Computer Aided Molecular Design

    DEFF Research Database (Denmark)

    . The problem formulation step incorporates a knowledge base for the identification and setup of the design criteria. Candidate compounds are identified using a multi-level generate and test CAMD solution algorithm capable of designing molecules having a high level of molecular detail. A post solution step...... using an Integrated Computer Aided System (ICAS) for result analysis and verification is included in the methodology. Keywords: CAMD, separation processes, knowledge base, molecular design, solvent selection, substitution, group contribution, property prediction, ICAS Introduction The use of Computer...... Aided Molecular Design (CAMD) for the identification of compounds having specific physic...

  7. Computer Simulations of Quantum Theory of Hydrogen Atom for Natural Science Education Students in a Virtual Lab

    Science.gov (United States)

    Singh, Gurmukh

    2012-01-01

    The present article is primarily targeted for the advanced college/university undergraduate students of chemistry/physics education, computational physics/chemistry, and computer science. The most recent software system such as MS Visual Studio .NET version 2010 is employed to perform computer simulations for modeling Bohr's quantum theory of…

  8. The Interaction of a N-Type Four Level Atom with the Electromagnetic Field for a Kerr Medium Induced Intensity-Dependent Coupling

    Science.gov (United States)

    Othman, Anas; Yevick, David

    2018-01-01

    The interaction of a N-type four-level atom with a single field in the presence of an intensity-dependent coupling in a nonlinear Kerr medium is investigated. The exact analytic solution is obtained in the case that the atom and electromagnetic field are initially in a higher excited state and a coherent state, respectively. It is then demonstrated that effects such as nonclassical light generation, degree of entanglement stabilization, Kerr medium nonclassical control, and squeezed light are can be more efficiently implemented within this four-level framework than in many competing procedures. Additionally, inversion, linear entropy, Mandel Q-parameter and normal squeezing dynamics are examined.

  9. Frequency and Wavevector Dependence of the Atomic Level Stress-Stress Correlation Function in a Model Supercooled Liquid

    Science.gov (United States)

    Levashov, Valentin A.; Morris, James R.; Egami, Takeshi

    2012-02-01

    Temporal and spatial correlations among the local atomic level shear stresses were studied for a model liquid iron by molecular dynamics simulation [PRL 106,115703]. Integration over time and space of the shear stress correlation function F(r,t) yields viscosity via Green-Kubo relation. The stress correlation function in time and space F(r,t) was Fourier transformed to study the dependence on frequency, E, and wave vector, Q. The results, F(Q,E), showed damped shear stress waves propagating in the liquid for small Q at high and low temperatures. We also observed additional diffuse feature that appears as temperature is reduced below crossover temperature of potential energy landscape at relatively low frequencies at small Q. We suggest that this additional feature might be related to dynamic heterogeneity and boson peaks. We also discuss a relation between the time-scale of the stress-stress correlation function and the alpha-relaxation time of the intermediate self-scattering function S(Q,E).

  10. Investigation of the levels of some element in edible oil samples produced in Turkey by atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Mendil, Durali; Uluoezlue, Ozguer Dogan; Tuezen, Mustafa; Soylak, Mustafa

    2009-01-01

    The element contents (Fe, Mn, Zn, Cu, Pb, Co, Cd, Na, K, Ca and Mg) in edible oils (olive oil, hazelnut oil, sunflower oil, margarine, butter and corn oil) from Turkey were determined using atomic absorption spectrometry after microwave digestion. The concentrations of trace element in the samples were found to be 291.0-52.0, 1.64-0.04, 3.08-1.03, 0.71-0.05, 0.03-0.01, 1.30-0.50, 84.0-0.90, 50.1-1.30, 174.2-20.8 and 20.8-0.60 μg/g for iron, manganese, zinc, copper, lead, cobalt, sodium, potassium, calcium, and magnesium, respectively. Cadmium was found to be 4.57-0.09 μg/kg. The high heavy metal and minerals accumulation levels in the samples were found in olive oil for Cu, Pb, Co, margarine for Fe, K, corn oil for Zn, Mn, butter for Na, Mg, sunflower oil for Ca and hazelnut oil for Cd, respectively.

  11. Atomic-level spatial distributions of dopants on silicon surfaces: toward a microscopic understanding of surface chemical reactivity

    Science.gov (United States)

    Hamers, Robert J.; Wang, Yajun; Shan, Jun

    1996-11-01

    We have investigated the interaction of phosphine (PH 3) and diborane (B 2H 6) with the Si(001) surface using scanning tunneling microscopy, infrared spectroscopy, and ab initio molecular orbital calculations. Experiment and theory show that the formation of PSi heterodimers is energetically favorable compared with formation of PP dimers. The stability of the heterodimers arises from a large strain energy associated with formation of PP dimers. At moderate P coverages, the formation of PSi heterodimers leaves the surface with few locations where there are two adjacent reactive sites. This in turn modifies the chemical reactivity toward species such as PH 3, which require only one site to adsorb but require two adjacent sites to dissociate. Boron on Si(001) strongly segregates into localized regions of high boron concentration, separated by large regions of clean Si. This leads to a spatially-modulated chemical reactivity which during subsequent growth by chemical vapor deposition (CVD) leads to formation of a rough surface. The implications of the atomic-level spatial distribution of dopants on the rates and mechanisms of CVD growth processes are discussed.

  12. Atomic-Level Co3O4 Layer Stabilized by Metallic Cobalt Nanoparticles: A Highly Active and Stable Electrocatalyst for Oxygen Reduction.

    Science.gov (United States)

    Liu, Min; Liu, Jingjun; Li, Zhilin; Wang, Feng

    2018-02-28

    Developing atomic-level transition oxides may be one of the most promising ways for providing ultrahigh electrocatalytic performance for oxygen reduction reaction (ORR), compared with their bulk counterparts. In this article, we developed a set of atomically thick Co 3 O 4 layers covered on Co nanoparticles through partial reduction of Co 3 O 4 nanoparticles using melamine as a reductive additive at an elevated temperature. Compared with the original Co 3 O 4 nanoparticles, the synthesized Co 3 O 4 with a thickness of 1.1 nm exhibits remarkably enhanced ORR activity and durability, which are even higher than those obtained by a commercial Pt/C in an alkaline environment. The superior activity can be attributed to the unique physical and chemical structures of the atomic-level oxide featuring the narrowed band gap and decreased work function, caused by the escaped lattice oxygen and the enriched coordination-unsaturated Co 2+ in this atomic layer. Besides, the outstanding durability of the catalyst can result from the chemically epitaxial deposition of the Co 3 O 4 on the cobalt surface. Therefore, the proposed synthetic strategy may offer a smart way to develop other atomic-level transition metals with high electrocatalytic activity and stability for energy conversion and storage devices.

  13. Analysis of stationary availability factor of two-level backbone computer networks with arbitrary topology

    Science.gov (United States)

    Rahman, P. A.

    2018-05-01

    This scientific paper deals with the two-level backbone computer networks with arbitrary topology. A specialized method, offered by the author for calculation of the stationary availability factor of the two-level backbone computer networks, based on the Markov reliability models for the set of the independent repairable elements with the given failure and repair rates and the methods of the discrete mathematics, is also discussed. A specialized algorithm, offered by the author for analysis of the network connectivity, taking into account different kinds of the network equipment failures, is also observed. Finally, this paper presents an example of calculation of the stationary availability factor for the backbone computer network with the given topology.

  14. The Relationship between Internet and Computer Game Addiction Level and Shyness among High School Students

    Science.gov (United States)

    Ayas, Tuncay

    2012-01-01

    This study is conducted to determine the relationship between the internet and computer games addiction level and the shyness among high school students. The participants of the study consist of 365 students attending high schools in Giresun city centre during 2009-2010 academic year. As a result of the study a positive, meaningful, and high…

  15. Computation of expectation values from vibrational coupled-cluster at the two-mode coupling level

    DEFF Research Database (Denmark)

    Zoccante, Alberto; Seidler, Peter; Christiansen, Ove

    2011-01-01

    In this work we show how the vibrational coupled-cluster method at the two-mode coupling level can be used to calculate zero-point vibrational averages of properties. A technique is presented, where any expectation value can be calculated using a single set of Lagrangian multipliers computed...

  16. Can Synchronous Computer-Mediated Communication (CMC) Help Beginning-Level Foreign Language Learners Speak?

    Science.gov (United States)

    Ko, Chao-Jung

    2012-01-01

    This study investigated the possibility that initial-level learners may acquire oral skills through synchronous computer-mediated communication (SCMC). Twelve Taiwanese French as a foreign language (FFL) students, divided into three groups, were required to conduct a variety of tasks in one of the three learning environments (video/audio, audio,…

  17. IDEN2-A program for visual identification of spectral lines and energy levels in optical spectra of atoms and simple molecules

    Science.gov (United States)

    Azarov, V. I.; Kramida, A.; Vokhmentsev, M. Ya.

    2018-04-01

    The article describes a Java program that can be used in a user-friendly way to visually identify spectral lines observed in complex spectra with theoretically predicted transitions between atomic or molecular energy levels. The program arranges various information about spectral lines and energy levels in such a way that line identification and determination of positions of experimentally observed energy levels become much easier tasks that can be solved fast and efficiently.

  18. Atomic force microscopy for cellular level manipulation: imaging intracellular structures and DNA delivery through a membrane hole.

    Science.gov (United States)

    Afrin, Rehana; Zohora, Umme Salma; Uehara, Hironori; Watanabe-Nakayama, Takahiro; Ikai, Atsushi

    2009-01-01

    The atomic force microscope (AFM) is a versatile tool for imaging, force measurement and manipulation of proteins, DNA, and living cells basically at the single molecular level. In the cellular level manipulation, extraction, and identification of mRNA's from defined loci of a cell, insertion of plasmid DNA and pulling of membrane proteins, for example, have been reported. In this study, AFM was used to create holes at defined loci on the cell membrane for the investigation of viability of the cells after hole creation, visualization of intracellular structure through the hole and for targeted gene delivery into living cells. To create large holes with an approximate diameter of 5-10 microm, a phospholipase A(2) coated bead was added to the AFM cantilever and the bead was allowed to touch the cell surface for approximately 5-10 min. The evidence of hole creation was obtained mainly from fluorescent image of Vybrant DiO labeled cell before and after the contact with the bead and the AFM imaging of the contact area. In parallel, cells with a hole were imaged by AFM to reveal intracellular structures such as filamentous structures presumably actin fibers and mitochondria which were identified with fluorescent labeling with rhodamine 123. Targeted gene delivery was also attempted by inserting an AFM probe that was coated with the Monster Green Fluorescent Protein phMGFP Vector for transfection of the cell. Following targeted transfection, the gene expression of green fluorescent protein (GFP) was observed and confirmed by the fluorescence microscope. Copyright (c) 2009 John Wiley & Sons, Ltd.

  19. Entanglement Dynamics of Linear and Nonlinear Interaction of Two Two-Level Atoms with a Quantized Phase-Damped Field in the Dispersive Regime

    Science.gov (United States)

    Tavassoly, M. K.; Daneshmand, R.; Rustaee, N.

    2018-06-01

    In this paper we study the linear and nonlinear (intensity-dependent) interactions of two two-level atoms with a single-mode quantized field far from resonance, while the phase-damping effect is also taken into account. To find the analytical solution of the atom-field state vector corresponding to the considered model, after deducing the effective Hamiltonian we evaluate the time-dependent elements of the density operator using the master equation approach and superoperator method. Consequently, we are able to study the influences of the special nonlinearity function f (n) = √ {n}, the intensity of the initial coherent state field and the phase-damping parameter on the degree of entanglement of the whole system as well as the field and atom. It is shown that in the presence of damping, by passing time, the amount of entanglement of each subsystem with the rest of system, asymptotically reaches to its stationary and maximum value. Also, the nonlinear interaction does not have any effect on the entanglement of one of the atoms with the rest of system, but it changes the amplitude and time period of entanglement oscillations of the field and the other atom. Moreover, this may cause that, the degree of entanglement which may be low (high) at some moments of time becomes high (low) by entering the intensity-dependent function in the atom-field coupling.

  20. Low-frequency-field-induced spontaneous-emission interference in a two-level atom placed in an anisotropic photonic crystal

    International Nuclear Information System (INIS)

    Li Gaoxiang; Evers, Joerg; Keitel, Christoph H

    2005-01-01

    We investigate the spontaneous-emission properties of a two-level atom embedded in a three-dimensional anisotropic photonic crystal. In addition to the modified density of states, the atom is driven by a coherent intense low-frequency field (LFF), which creates additional multiphoton decay channels with the exchange of two low-frequency photons and one spontaneous photon during an atomic transition. Due to the low frequency of the applied field, the various transition pathways may interfere with each other and thus give rise to a modified system dynamics. We find that even if all the atomic (bare and induced) transition frequencies are in the conducting band of the photonic crystal, there still may exist a photon-atom bound state in coexistence with propagating modes. The system also allows us to generate narrow lines in the spontaneous-emission spectrum. This spectrum is a function of the distance of the observer from the atom due to the band gap in the photonic crystal. The system properties depend on three characteristic frequencies, which are influenced by quantum interference effects. Thus these results can be attributed to a combination of interference and band-gap effects

  1. Atomic level structural modulation during the structural relaxation and its effect on magnetic properties of Fe81Si4B10P4Cu1 nanocrystalline alloy

    Science.gov (United States)

    Cao, C. C.; Zhu, L.; Meng, Y.; Zhai, X. B.; Wang, Y. G.

    2018-06-01

    The evolution of local structure and defects in the Fe81Si4B10P4Cu1 amorphous alloy during the structural relaxation has been investigated by Mössbauer spectroscopy, positron annihilation lifetime spectroscopy and transmission electron microscopy to explore their effects on magnetic properties of the nanocrystalline. The atomic rearrangements at the early stage of the structural relaxation cause the density increase of the amorphous matrix, but the subsequent atomic rearrangements contribute to the transformation of Fe3B-like atomic arrangements to FeB-like ones with the temperature increasing. As the structural relaxation processes, the released Fe atoms both from Fe3B- and Fe3P-like atomic arrangements result in the formation of new Fe clusters and the increase of Fe-Fe coordination number in the existing Fe clusters and the nucleation sites for α-Fe gradually increase, both of which promote the crystallization. However, the homogeneity of amorphous matrix will be finally destroyed under excessive relaxation temperature, which coarsens nanograins during the crystallization instead. Therefore, soft magnetic properties of the Fe81Si4B10P4Cu1 nanocrystalline alloy can be improved by pre-annealing the amorphous precursor at an appropriate temperature due to the atomic level structural optimization.

  2. COMPUTING

    CERN Multimedia

    I. Fisk

    2010-01-01

    Introduction It has been a very active quarter in Computing with interesting progress in all areas. The activity level at the computing facilities, driven by both organised processing from data operations and user analysis, has been steadily increasing. The large-scale production of simulated events that has been progressing throughout the fall is wrapping-up and reprocessing with pile-up will continue. A large reprocessing of all the proton-proton data has just been released and another will follow shortly. The number of analysis jobs by users each day, that was already hitting the computing model expectations at the time of ICHEP, is now 33% higher. We are expecting a busy holiday break to ensure samples are ready in time for the winter conferences. Heavy Ion An activity that is still in progress is computing for the heavy-ion program. The heavy-ion events are collected without zero suppression, so the event size is much large at roughly 11 MB per event of RAW. The central collisions are more complex and...

  3. Energy Use and Power Levels in New Monitors and Personal Computers; TOPICAL

    International Nuclear Information System (INIS)

    Roberson, Judy A.; Homan, Gregory K.; Mahajan, Akshay; Nordman, Bruce; Webber, Carrie A.; Brown, Richard E.; McWhinney, Marla; Koomey, Jonathan G.

    2002-01-01

    Our research was conducted in support of the EPA ENERGY STAR Office Equipment program, whose goal is to reduce the amount of electricity consumed by office equipment in the U.S. The most energy-efficient models in each office equipment category are eligible for the ENERGY STAR label, which consumers can use to identify and select efficient products. As the efficiency of each category improves over time, the ENERGY STAR criteria need to be revised accordingly. The purpose of this study was to provide reliable data on the energy consumption of the newest personal computers and monitors that the EPA can use to evaluate revisions to current ENERGY STAR criteria as well as to improve the accuracy of ENERGY STAR program savings estimates. We report the results of measuring the power consumption and power management capabilities of a sample of new monitors and computers. These results will be used to improve estimates of program energy savings and carbon emission reductions, and to inform rev isions of the ENERGY STAR criteria for these products. Our sample consists of 35 monitors and 26 computers manufactured between July 2000 and October 2001; it includes cathode ray tube (CRT) and liquid crystal display (LCD) monitors, Macintosh and Intel-architecture computers, desktop and laptop computers, and integrated computer systems, in which power consumption of the computer and monitor cannot be measured separately. For each machine we measured power consumption when off, on, and in each low-power level. We identify trends in and opportunities to reduce power consumption in new personal computers and monitors. Our results include a trend among monitor manufacturers to provide a single very low low-power level, well below the current ENERGY STAR criteria for sleep power consumption. These very low sleep power results mean that energy consumed when monitors are off or in active use has become more important in terms of contribution to the overall unit energy consumption (UEC

  4. Probability of extreme interference levels computed from reliability approaches: application to transmission lines with uncertain parameters

    International Nuclear Information System (INIS)

    Larbi, M.; Besnier, P.; Pecqueux, B.

    2014-01-01

    This paper deals with the risk analysis of an EMC default using a statistical approach. It is based on reliability methods from probabilistic engineering mechanics. A computation of probability of failure (i.e. probability of exceeding a threshold) of an induced current by crosstalk is established by taking into account uncertainties on input parameters influencing levels of interference in the context of transmission lines. The study has allowed us to evaluate the probability of failure of the induced current by using reliability methods having a relative low computational cost compared to Monte Carlo simulation. (authors)

  5. Generation and amplification of a high-order sideband induced by two-level atoms in a hybrid optomechanical system

    Science.gov (United States)

    Liu, Zeng-Xing; Xiong, Hao; Wu, Ying

    2018-01-01

    It is quite important to enhance and control the optomechanically induced high-order sideband generation to achieve low-power optical comb and high-sensitivity sensing with an integrable structure. Here we present and analyze a proposal for enhancement and manipulation of optical nonlinearity and high-order sideband generation in a hybrid atom-cavity optomechanical system that is coherently driven by a bichromatic input field consisting of a control field and a probe field and that works beyond the perturbative regime. Our numerical analysis with experimentally achievable parameters confirms that robust high-order sideband generation and typical spectral structures with nonperturbative features can be created even under weak driven fields. The dependence of the high-order sideband generation on the atomic parameters are also discussed in detail, including the decay rate of the atoms and the coupling parameter between the atoms and the cavity field. We show that the cutoff order as well as the amplitude of the higher-order sidebands can be well tuned by the atomic coupling strength and the atomic decay rate. The proposed mechanism of enhancing optical nonlinearity is quite general and can be adopted to optomechanical systems with different types of cavity.

  6. On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments

    Science.gov (United States)

    Prasai, Binay; Wilson, A. R.; Wiley, B. J.; Ren, Y.; Petkov, Valeri

    2015-10-01

    The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.The extent to which current theoretical modeling alone can

  7. Atomic level study of water-gas shift catalysts via transmission electron microscopy and x-ray spectroscopy

    Science.gov (United States)

    Akatay, Mehmed Cem

    Water-gas shift (WGS), CO + H2O ⇆ CO2 + H2 (DeltaH° = -41 kJ mol -1), is an industrially important reaction for the production of high purity hydrogen. Commercial Cu/ZnO/Al2O3 catalysts are employed to accelerate this reaction, yet these catalysts suffer from certain drawbacks, including costly regeneration processes and sulfur poisoning. Extensive research is focused on developing new catalysts to replace the current technology. Supported noble metals stand out as promising candidates, yet comprise intricate nanostructures complicating the understanding of their working mechanism. In this study, the structure of the supported Pt catalysts is explored by transmission electron microscopy and X-ray spectroscopy. The effect of the supporting phase and the use of secondary metals on the reaction kinetics is investigated. Structural heterogeneities are quantified and correlated with the kinetic descriptors of the catalysts to develop a fundamental understanding of the catalytic mechanism. The effect of the reaction environment on catalyst structure is examined by in-situ techniques. This study benefitted greatly from the use of model catalysts that provide a convenient medium for the atomic level characterization of nanostructures. Based on these studies, Pt supported on iron oxide nano islands deposited on inert spherical alumina exhibited 48 times higher WGS turnover rate (normalized by the total Pt surface area) than Pt supported on bulk iron oxide. The rate of aqueous phase glycerol reforming reaction of Pt supported on multiwall carbon nanotubes (MWCNT) is promoted by co-impregnating with cobalt. The synthesis resulted in a variety of nanostructures among which Pt-Co bimetallic nanoparticles are found to be responsible for the observed promotion. The unprecedented WGS rate of Pt supported on Mo2C is explored by forming Mo 2C patches on top of MWCNTs and the rate promotion is found to be caused by the Pt-Mo bimetallic entities.

  8. ATOMIC-LEVEL IMAGING OF CO2 DISPOSAL AS A CARBONATE MINERAL: OPTIMIZING REACTION PROCESS DESIGN; A

    International Nuclear Information System (INIS)

    M.J. McKelvy; R. Sharma; A.V.G. Chizmeshya; H. Bearat; R.W. Carpenter

    2001-01-01

    Fossil fuels, especially coal, can support the energy demands of the world for centuries to come, if the environmental problems associated with CO(sub 2) emissions can be overcome. Permanent and safe methods for CO(sub 2) capture and disposal/storage need to be developed. Mineralization of stationary-source CO(sub 2) emissions as carbonates can provide such safe capture and long-term sequestration. Mg-rich lamellar-hydroxide based minerals (e.g., brucite and serpentine) offer a class of widely available, low-cost materials, with intriguing mineral carbonation potential. Carbonation of such materials inherently involves dehydroxylation, which can disrupt the material down to the atomic level. As such, controlled dehydroxylation, before and/or during carbonation, may provide an important parameter for enhancing carbonation reaction processes. Mg(OH)(sub 2) was chosen as the model material for investigating lamellar hydroxide mineral dehydroxylation/carbonation mechanisms due to (i) its structural and chemical simplicity, (ii) interest in Mg(OH)(sub 2) gas-solid carbonation as a potentially cost-effective CO(sub 2) mineral sequestration process component, and (iii) its structural and chemical similarity to other lamellar-hydroxide-based minerals (e.g., serpentine-based minerals) whose carbonation reaction processes are being explored due to their low-cost CO(sub 2) sequestration potential. Fundamental understanding of the mechanisms that govern dehydroxylation/carbonation processes is essential for minimizing the cost of any lamellar-hydroxide-based mineral carbonation sequestration process. This report covers the third year progress of this grant, as well as providing an integrated overview of the progress in years 1-3, as we have been granted a one-year no-cost extension to wrap up a few studies and publications to optimize project impact

  9. Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes.

    Science.gov (United States)

    De Simone, Bruna C; Mazzone, Gloria; Russo, Nino; Sicilia, Emilia; Toscano, Marirosa

    2018-03-15

    How the tetraphenylporphyrin (TPP) and its zinc(II) complexes (ZnTPP) photophysical properties (absorption energies, singlet-triplet energy gap and spin-orbit coupling contributions) can change due to the presence of an increasing number of heavy atoms in their molecular structures has been investigated by means of density functional theory and its time-dependent formulation. Results show that the increase of the atomic mass of the substituted halogen strongly enhances the spin-orbit coupling values, allowing a more efficient singlet-triplet intersystem crossing. Different deactivation channels have been considered and rationalized on the basis of El-Sayed and Kasha rules. Most of the studied compounds possess the appropriate properties to generate cytotoxic singlet molecular oxygen ( 1 Δ g ) and, consequently, they can be proposed as photosensitizers in photodynamic therapy.

  10. Selection of a computer code for Hanford low-level waste engineered-system performance assessment

    International Nuclear Information System (INIS)

    McGrail, B.P.; Mahoney, L.A.

    1995-10-01

    Planned performance assessments for the proposed disposal of low-level waste (LLW) glass produced from remediation of wastes stored in underground tanks at Hanford, Washington will require calculations of radionuclide release rates from the subsurface disposal facility. These calculations will be done with the aid of computer codes. Currently available computer codes were ranked in terms of the feature sets implemented in the code that match a set of physical, chemical, numerical, and functional capabilities needed to assess release rates from the engineered system. The needed capabilities were identified from an analysis of the important physical and chemical process expected to affect LLW glass corrosion and the mobility of radionuclides. The highest ranked computer code was found to be the ARES-CT code developed at PNL for the US Department of Energy for evaluation of and land disposal sites

  11. Effects of an applied low frequency field on the dynamics of a two-level atom interacting with a single-mode field

    International Nuclear Information System (INIS)

    Xun-Wei, Xu; Nian-Hua, Liu

    2010-01-01

    The effects of an applied low frequency field on the dynamics of a two-level atom interacting with a single-mode field are investigated. It is shown that the time evolution of the atomic population is mainly controlled by the coupling constants and the frequency of the low frequency field, which leads to a low frequency modulation function for the time evolution of the upper state population. The amplitude of the modulation function becomes larger as the coupling constants increase. The frequency of the modulation function is proportional to the frequency of the low frequency field, and decreases with increasing coupling constant. (classical areas of phenomenology)

  12. COMPUTING

    CERN Multimedia

    I. Fisk

    2011-01-01

    Introduction It has been a very active quarter in Computing with interesting progress in all areas. The activity level at the computing facilities, driven by both organised processing from data operations and user analysis, has been steadily increasing. The large-scale production of simulated events that has been progressing throughout the fall is wrapping-up and reprocessing with pile-up will continue. A large reprocessing of all the proton-proton data has just been released and another will follow shortly. The number of analysis jobs by users each day, that was already hitting the computing model expectations at the time of ICHEP, is now 33% higher. We are expecting a busy holiday break to ensure samples are ready in time for the winter conferences. Heavy Ion The Tier 0 infrastructure was able to repack and promptly reconstruct heavy-ion collision data. Two copies were made of the data at CERN using a large CASTOR disk pool, and the core physics sample was replicated ...

  13. COMPUTING

    CERN Multimedia

    I. Fisk

    2012-01-01

    Introduction Computing continued with a high level of activity over the winter in preparation for conferences and the start of the 2012 run. 2012 brings new challenges with a new energy, more complex events, and the need to make the best use of the available time before the Long Shutdown. We expect to be resource constrained on all tiers of the computing system in 2012 and are working to ensure the high-priority goals of CMS are not impacted. Heavy ions After a successful 2011 heavy-ion run, the programme is moving to analysis. During the run, the CAF resources were well used for prompt analysis. Since then in 2012 on average 200 job slots have been used continuously at Vanderbilt for analysis workflows. Operations Office As of 2012, the Computing Project emphasis has moved from commissioning to operation of the various systems. This is reflected in the new organisation structure where the Facilities and Data Operations tasks have been merged into a common Operations Office, which now covers everything ...

  14. System-level tools and reconfigurable computing for next-generation HWIL systems

    Science.gov (United States)

    Stark, Derek; McAulay, Derek; Cantle, Allan J.; Devlin, Malachy

    2001-08-01

    Previous work has been presented on the creation of computing architectures called DIME, which addressed the particular computing demands of hardware in the loop systems. These demands include low latency, high data rates and interfacing. While it is essential to have a capable platform for handling and processing of the data streams, the tools must also complement this so that a system's engineer is able to construct their final system. The paper will present the work in the area of integration of system level design tools, such as MATLAB and SIMULINK, with a reconfigurable computing platform. This will demonstrate how algorithms can be implemented and simulated in a familiar rapid application development environment before they are automatically transposed for downloading directly to the computing platform. This complements the established control tools, which handle the configuration and control of the processing systems leading to a tool suite for system development and implementation. As the development tools have evolved the core-processing platform has also been enhanced. These improved platforms are based on dynamically reconfigurable computing, utilizing FPGA technologies, and parallel processing methods that more than double the performance and data bandwidth capabilities. This offers support for the processing of images in Infrared Scene Projectors with 1024 X 1024 resolutions at 400 Hz frame rates. The processing elements will be using the latest generation of FPGAs, which implies that the presented systems will be rated in terms of Tera (1012) operations per second.

  15. Computer simulation of two-level pedicle subtraction osteotomy for severe thoracolumbar kyphosis in ankylosing spondylitis

    Directory of Open Access Journals (Sweden)

    Ning Zhang

    2017-01-01

    Full Text Available Background: Advanced ankylosing spondylitis is often associated with thoracolumbar kyphosis, resulting in an abnormal spinopelvic balance and pelvic morphology. Different osteotomy techniques have been used to correct AS deformities, unfortunnaly, not all AS patients can gain spinal sagittal balance and good horizontal vision after osteotomy. Materials and Methods: Fourteen consecutive AS patients with severe thoracolumbar kyphosis who were treated with two-level PSO were studied retrospectively. All were male with a mean age of 34.9 ± 9.6 years. The followup ranged from 1–5 years. Preoperative computer simulations using the Surgimap Spinal software were performed for all patients, and the osteotomy level and angle determined from the computer simulation were used surgically. Spinal sagittal parameters were measured preoperatively, after the computer simulation, and postoperatively and included thoracic kyphosis (TK, lumbar lordosis (LL, sagittal vertical axis (SVA, pelvic incidence, pelvic tilt (PT, and sacral slope (SS. The level of correlation between the computer simulation and postoperative parameters was evaluated, and the differences between preoperative and postoperative parameters were compared. The visual analog scale (VAS for back pain and clinical outcome was also assessed. Results: Six cases underwent PSO at L1 and L3, five cases at L2 and T12, and three cases at L3 and T12. TK was corrected from 57.8 ± 15.2° preoperatively to 45.3 ± 7.7° postoperatively (P < 0.05, LL from 9.3 ± 17.5° to −52.3 ± 3.9° (P < 0.001, SVA from 154.5 ± 36.7 to 37.8 ± 8.4 mm (P < 0.001, PT from 43.3 ± 6.1° to 18.0 ± 0.9° (P < 0.001, and SS from 0.8 ± 7.0° to 26.5 ± 10.6° (P < 0.001. The LL, VAS, and PT of the simulated two-level PSO were highly consistent with, or almost the same as, the postoperative parameters. The correlations between the computer simulations and postoperative parameters were significant. The VAS decreased

  16. The Dynamics of a Five-level (Double Λ)-type Atom Interacting with Two-mode Field in a Cross Kerr-like Medium

    Science.gov (United States)

    Obada, A.-S. F.; Ahmed, M. M. A.; Farouk, Ahmed M.

    2018-04-01

    In this paper, we propose a new transition scheme (Double Λ) for the interaction between a five-level atom and an electromagnetic field and study its dynamics in the presence of a cross Kerr-like medium in the exact-resonance case. The wave function is derived when the atom is initially prepared in its upper most state, and the field is initially prepared in the coherent state. We studied the atomic population inversion, the coherence degree by studying the second-order correlation function, Cauchy-Schwartz inequality (CSI) and the relation with P-function. Finally, we investigate the effect of Kerr-like medium on the evolution of Husimi Q-function of the considered system.

  17. Linear entropy and collapse–revival phenomenon for a general formalism N-type four-level atom interacting with a single-mode field

    Science.gov (United States)

    Eied, A. A.

    2018-05-01

    In this paper, the linear entropy and collapse-revival phenomenon through the relation ( -{\\bar{n}}) in a system of N-configuration four-level atom interacting with a single-mode field with additional forms of nonlinearities of both the field and the intensity-dependent atom-field coupling functional are investigated. A factorization of the initial density operator is assumed, considering the field to be initially in a squeezed coherent states and the atom initially in its most upper excited state. The dynamical behavior of the linear entropy and the time evolution of ( -{\\bar{n}}) are analyzed. In particular, the effects of the mean photon number, detuning, Kerr-like medium and the intensity-dependent coupling functional on the entropy and the evolution of ( -{\\bar{n}}) are examined.

  18. Work in process level definition: a method based on computer simulation and electre tri

    Directory of Open Access Journals (Sweden)

    Isaac Pergher

    2014-09-01

    Full Text Available This paper proposes a method for defining the levels of work in progress (WIP in productive environments managed by constant work in process (CONWIP policies. The proposed method combines the approaches of Computer Simulation and Electre TRI to support estimation of the adequate level of WIP and is presented in eighteen steps. The paper also presents an application example, performed on a metalworking company. The research method is based on Computer Simulation, supported by quantitative data analysis. The main contribution of the paper is its provision of a structured way to define inventories according to demand. With this method, the authors hope to contribute to the establishment of better capacity plans in production environments.

  19. Towards a computational- and algorithmic-level account of concept blending using analogies and amalgams

    Science.gov (United States)

    Besold, Tarek R.; Kühnberger, Kai-Uwe; Plaza, Enric

    2017-10-01

    Concept blending - a cognitive process which allows for the combination of certain elements (and their relations) from originally distinct conceptual spaces into a new unified space combining these previously separate elements, and enables reasoning and inference over the combination - is taken as a key element of creative thought and combinatorial creativity. In this article, we summarise our work towards the development of a computational-level and algorithmic-level account of concept blending, combining approaches from computational analogy-making and case-based reasoning (CBR). We present the theoretical background, as well as an algorithmic proposal integrating higher-order anti-unification matching and generalisation from analogy with amalgams from CBR. The feasibility of the approach is then exemplified in two case studies.

  20. Computer Games and Their Impact on Creativity of Primary Level Students in Tehran

    Directory of Open Access Journals (Sweden)

    Tahereh Mokhtari

    2016-09-01

    Full Text Available Creativity is about being sensitive to dilemmas, losses, problems, and existing errors, making propositions about and examining such issues, which finally leads to innovative findings. On the other hand, it seems that games are important in this process; since they can improve creativity of the individuals. Thus, this research pays attention to the question that whether computer games affect creativity of students at primary level in schools or not? Moreover, in this study, students of 3 main districts of Tehran municipality were studied. Based on the available data of the ministry, there were 51740 students studying in these three districts. Thus, 381 students were randomly selected as the research sample. Findings revealed that all computer games, i.e. puzzle, intellectual, and enigma, affect creativity of students at primary level in schools to different extents.

  1. POPCYCLE: a computer code for calculating nuclear and fossil plant levelized life-cycle power costs

    International Nuclear Information System (INIS)

    Hardie, R.W.

    1982-02-01

    POPCYCLE, a computer code designed to calculate levelized life-cycle power costs for nuclear and fossil electrical generating plants is described. Included are (1) derivations of the equations and a discussion of the methodology used by POPCYCLE, (2) a description of the input required by the code, (3) a listing of the input for a sample case, and (4) the output for a sample case

  2. Computer-based control of nuclear power information systems at international level

    International Nuclear Information System (INIS)

    Boniface, Ekechukwu; Okonkwo, Obi

    2011-01-01

    In most highly industrialized countries of the world information plays major role in anti-nuclear campaign. Information and discussions on nuclear power need critical and objective analysis before the structured information presentation to the public to avoid bias anti-nuclear information on one side and neglect of great risk in nuclear power. This research is developing a computer-based information system for the control of nuclear power at international level. The system is to provide easy and fast information highways for the followings: (1) Low Regulatory dose and activity limit as level of high danger for individuals and public. (2) Provision of relevant technical or scientific education among the information carriers in the nuclear power countries. The research is on fact oriented investigation about radioactivity. It also deals with fact oriented education about nuclear accidents and safety. A standard procedure for dissemination of latest findings using technical and scientific experts in nuclear technology is developed. The information highway clearly analyzes the factual information about radiation risk and nuclear energy. Radiation cannot be removed from our environment. The necessity of radiation utilizations defines nuclear energy as two-edge sword. It is therefore, possible to use computer-based information system in projecting and dissemination of expert knowledge about nuclear technology positively and also to use it in directing the public on the safety and control of the nuclear energy. The computer-based information highway for nuclear energy technology is to assist in scientific research and technological development at international level. (author)

  3. Anomaly in shape of resonance absorption lines of atoms with large fine-structure splitting of levels

    International Nuclear Information System (INIS)

    Parkhomenko, A.I.; yachev, S.P."" >Podyachev, S.P.; Privalov, T.I.; Shalagin, A.M.

    1997-01-01

    Absorption line of monochromatic radiation by atoms nonselective excitation by velocities under conditions of optical excitation of components of superfine structure of the basic electron state is considered. It is shown that the absorption line has unusual substructures for certain values of the basic state superfine desintegration. These substructures in the absorption spectrum may be pointed out by accounting the superfine structure of the electron excited state. The absorption spectra of monochromatic radiation close tot he D 1 - and D 2 -lines of the atomic rubidium are calculated

  4. Evaluation of interatomic potentials for noble gas atoms from rainbow scattering under axial channeling at Ag(1 1 1) surface by computer simulations based on binary collision approximation

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, Wataru, E-mail: take@sp.ous.ac.jp

    2016-01-01

    The rainbow angles corresponding to pronounced peaks in the angular distributions of scattered projectiles with small angle, attributed to rainbow scattering (RS), under axial surface channeling conditions are strongly dependent on the interatomic potentials between projectiles and target atoms. The dependence of rainbow angles on normal energy of projectile energy to the target surface that has been experimentally obtained by Schüller and Winter (SW) (2007) for RS of He, Ne and Ar atoms from a Ag(1 1 1) surface with projectile energies of 3–60 keV was evaluated by the three-dimensional computer simulations using the ACOCT code based on the binary collision approximation with interatomic pair potentials. Consequently, the ACOCT results employing the Moliere pair potential with screening length correction close to adjustable one of O’Connor and Biersack (OB) formula are almost in agreement with the experimental ones, being self-consistent with the SW’s ones analyzed by computer simulations of classical trajectory calculations as RS from corrugated equipotential planes based on continuum potentials including the Moliere pair potential with screening length correction of the OB formula.

  5. Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem

    Science.gov (United States)

    Zhao, Zhiqiang; Chen, Jun; Zhang, Zhaojun; Zhang, Dong H.; Wang, Xiao-Gang; Carrington, Tucker; Gatti, Fabien

    2018-02-01

    Quantum mechanical calculations of ro-vibrational energies of CH4, CHD3, CH3D, and CH3F were made with two different numerical approaches. Both use polyspherical coordinates. The computed energy levels agree, confirming the accuracy of the methods. In the first approach, for all the molecules, the coordinates are defined using three Radau vectors for the CH3 subsystem and a Jacobi vector between the remaining atom and the centre of mass of CH3. Euler angles specifying the orientation of a frame attached to CH3 with respect to a frame attached to the Jacobi vector are used as vibrational coordinates. A direct product potential-optimized discrete variable vibrational basis is used to build a Hamiltonian matrix. Ro-vibrational energies are computed using a re-started Arnoldi eigensolver. In the second approach, the coordinates are the spherical coordinates associated with four Radau vectors or three Radau vectors and a Jacobi vector, and the frame is an Eckart frame. Vibrational basis functions are products of contracted stretch and bend functions, and eigenvalues are computed with the Lanczos algorithm. For CH4, CHD3, and CH3D, we report the first J > 0 energy levels computed on the Wang-Carrington potential energy surface [X.-G. Wang and T. Carrington, J. Chem. Phys. 141(15), 154106 (2014)]. For CH3F, the potential energy surface of Zhao et al. [J. Chem. Phys. 144, 204302 (2016)] was used. All the results are in good agreement with experimental data.

  6. Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem.

    Science.gov (United States)

    Zhao, Zhiqiang; Chen, Jun; Zhang, Zhaojun; Zhang, Dong H; Wang, Xiao-Gang; Carrington, Tucker; Gatti, Fabien

    2018-02-21

    Quantum mechanical calculations of ro-vibrational energies of CH 4 , CHD 3 , CH 3 D, and CH 3 F were made with two different numerical approaches. Both use polyspherical coordinates. The computed energy levels agree, confirming the accuracy of the methods. In the first approach, for all the molecules, the coordinates are defined using three Radau vectors for the CH 3 subsystem and a Jacobi vector between the remaining atom and the centre of mass of CH 3 . Euler angles specifying the orientation of a frame attached to CH 3 with respect to a frame attached to the Jacobi vector are used as vibrational coordinates. A direct product potential-optimized discrete variable vibrational basis is used to build a Hamiltonian matrix. Ro-vibrational energies are computed using a re-started Arnoldi eigensolver. In the second approach, the coordinates are the spherical coordinates associated with four Radau vectors or three Radau vectors and a Jacobi vector, and the frame is an Eckart frame. Vibrational basis functions are products of contracted stretch and bend functions, and eigenvalues are computed with the Lanczos algorithm. For CH 4 , CHD 3 , and CH 3 D, we report the first J > 0 energy levels computed on the Wang-Carrington potential energy surface [X.-G. Wang and T. Carrington, J. Chem. Phys. 141(15), 154106 (2014)]. For CH 3 F, the potential energy surface of Zhao et al. [J. Chem. Phys. 144, 204302 (2016)] was used. All the results are in good agreement with experimental data.

  7. A new atomic model

    International Nuclear Information System (INIS)

    Petrescu, Florian Ion

    2012-01-01

    The movement of an electron around the atomic nucleus has today a great importance in many engineering fields. Electronics, aeronautics, micro and nanotechnology, electrical engineering, optics, lasers, nuclear power, computing, equipment and automation, telecommunications, genetic engineering, bioengineering, special processing, modern welding, robotics, energy and electromagnetic wave field is today only a few of the many applications of electronic engineering. This book presents, shortly, a new and original relation (20 and 20') who determines the radius with that, the electron is running around the nucleus of an atom. One utilizes, two times the Lorenz relation, the Niels Bohr generalized equation, and a mass relation, which was deduced from the kinematics energy relation written in two modes: classical and Coulombian. Equalizing the mass relation with Lorenz relation one obtains a form which is a relation between the squared electron speed (v 2 ) and the radius (r). The second relation between v 2 and r was obtained by equalizing the mass of Bohr equation and the mass of Lorenz relation. For a Bohr energetically level (n=a constant value), one determines now two energetically below levels, which form an electronic layer. The author realizes by this a new atomic model, or a new quantum theory, which explains the existence of electron-clouds without spin.Writing the kinematics energy relation in two modes, classical and Coulombian one determines a relation, from which explicitely the mass of the electron is determined.

  8. A new atomic model

    Energy Technology Data Exchange (ETDEWEB)

    Petrescu, Florian Ion

    2012-07-01

    The movement of an electron around the atomic nucleus has today a great importance in many engineering fields. Electronics, aeronautics, micro and nanotechnology, electrical engineering, optics, lasers, nuclear power, computing, equipment and automation, telecommunications, genetic engineering, bioengineering, special processing, modern welding, robotics, energy and electromagnetic wave field is today only a few of the many applications of electronic engineering. This book presents, shortly, a new and original relation (20 and 20') who determines the radius with that, the electron is running around the nucleus of an atom. One utilizes, two times the Lorenz relation, the Niels Bohr generalized equation, and a mass relation, which was deduced from the kinematics energy relation written in two modes: classical and Coulombian. Equalizing the mass relation with Lorenz relation one obtains a form which is a relation between the squared electron speed (v{sup 2}) and the radius (r). The second relation between v{sup 2} and r was obtained by equalizing the mass of Bohr equation and the mass of Lorenz relation. For a Bohr energetically level (n=a constant value), one determines now two energetically below levels, which form an electronic layer. The author realizes by this a new atomic model, or a new quantum theory, which explains the existence of electron-clouds without spin.Writing the kinematics energy relation in two modes, classical and Coulombian one determines a relation, from which explicitely the mass of the electron is determined.

  9. ATOMIC DATA FOR ABSORPTION-LINES FROM THE GROUND-LEVEL AT WAVELENGTHS GREATER-THAN-228-ANGSTROM

    NARCIS (Netherlands)

    VERNER, DA; BARTHEL, PD; TYTLER, D

    1994-01-01

    We list wavelengths, statistical weigths and oscillator strengths for 2249 spectral lines arising from the ground states of atoms and ions. The compilation covers all wavelengths longward of the HeII Lyman limit at 227.838 Angstrom and all the ion states of all elements from hydrogen to bismuth (Z =

  10. Connection of off-diagonal radiative-decay coupling to electromagnetically induced transparency and amplification without inversion in a three-level atomic system

    International Nuclear Information System (INIS)

    Cardimona, D.A.; Huang Danhong

    2002-01-01

    The equivalence between the off-diagonal radiative-decay coupling (ODRDC) effect in the bare-atom picture of a three-level atomic system [see Cardimona et al., J. Phys. B 15, 55 (1982)] and the electromagnetically induced transparency (EIT) effect in the dressed-atom picture [see Imamoglu et al., Opt. Lett. 14, 1344 (1989)] is uncovered and a full comparison of their physical origins is given. The mechanism for both ODRDC and Harris' EIT is found to be a consequence of the quantum interference between a direct absorption path and an indirect absorption path mediated by either a self absorption of spontaneous photons or a Fano-type coupling. A connection is then pointed out between the effects of probe-field gain (PFG) based on an ODRDC process [see Huang et al., Phys. Rev. A 64, 013822 (2001)] and amplification without inversion (AWI) [see Fearn et al., Opt. Commun. 87, 323 (1992)] in the bare-atom picture of a three-level atomic system. The PFG effect is found as a result of transferring electrons between the two upper levels due to the phase-sensitive coherence provided by a laser-induced ODRDC process, while the AWI effect to one of the two probe fields is attributed to its coupling to a strong laser field generating an off-resonant gain through an induced nonlinearity in the other probe field. Both the advantages and disadvantages as well as the limitations of the ODRDC, EIT, PFG, and AWI effects are discussed and compared

  11. Experimental determination of the energy levels of the antimony atom (Sb II), ions of the antimony (Sb II, Sb III), mercury (Hg IV) and cesium (Cs X)

    International Nuclear Information System (INIS)

    Arcimowicz, B.

    1993-01-01

    The thesis concerns establishing the energy scheme of the electronic levels, obtained from the analysis of the investigated spectra of antimony atom and ions (Sb I, Sb II, Sb III) and higher ionized mercury (Hg IV) and cesium (Cs X) atoms. The experimental studies were performed with optical spectroscopy methods. The spectra of the elements under study obtained in the spectral range from visible (680 nm) to vacuum UV (40 nm) were analysed. The classification and spectroscopic designation of the experimentally established 169 energy levels were obtained on the basis of the performed calculations and the fine structure analysis. The following configurations were considered: 5s 2 5p 2 ns, 5s 2 5p 2 n'd, 5s5p 4 of the antimony atom, 5s 2 5pns, 5s 2 5pn'd, 5s5p 3 of the ion Sb II, 5s 2 ns, 5s 2 n'd, 5s5p 2 of the on Sb III, 5d 8 6p of the ion Hg IV 4d 9 5s and 4d 9 5p Cs X. A reclassification was performed and some changes were introduced to the existing energy level scheme of the antimony atom, with the use of the information obtained from the absorption spectrum taken in the VUV region by the ''flash pyrolysis'' technique. The measurements of the hyperfine splittings in 19 spectral lines belonging to the antimony atom and ions additionally confirmed the assumed classification of the levels involved in these lines. The energy level scheme, obtained for Sb III, was compared to the other ones in the isoelectronic sequence starting with In I. On the basis of the analysis of the Hg IV spectrum it was proved that ground configuration of the three times ionized mercury atom is 5d 9 not 5d 8 6s as assumed until now. The fine structure, established from the analysis of the spectra of the elements under study was examined in multiconfiguration approximation. As a result of the performed calculations the fine structure parameters and wavefunctions were determined for the levels whose energy values were experimentally established in the thesis. (author). 140 refs, 22 figs, 17

  12. Direct atomic-level insight into the active sites of a high-performance PGM-free ORR catalyst

    Science.gov (United States)

    Chung, Hoon T.; Cullen, David A.; Higgins, Drew; Sneed, Brian T.; Holby, Edward F.; More, Karren L.; Zelenay, Piotr

    2017-08-01

    Platinum group metal-free (PGM-free) metal-nitrogen-carbon catalysts have emerged as a promising alternative to their costly platinum (Pt)-based counterparts in polymer electrolyte fuel cells (PEFCs) but still face some major challenges, including (i) the identification of the most relevant catalytic site for the oxygen reduction reaction (ORR) and (ii) demonstration of competitive PEFC performance under automotive-application conditions in the hydrogen (H2)-air fuel cell. Herein, we demonstrate H2-air performance gains achieved with an iron-nitrogen-carbon catalyst synthesized with two nitrogen precursors that developed hierarchical porosity. Current densities recorded in the kinetic region of cathode operation, at fuel cell voltages greater than ~0.75 V, were the same as those obtained with a Pt cathode at a loading of 0.1 milligram of Pt per centimeter squared. The proposed catalytic active site, carbon-embedded nitrogen-coordinated iron (FeN4), was directly visualized with aberration-corrected scanning transmission electron microscopy, and the contributions of these active sites associated with specific lattice-level carbon structures were explored computationally.

  13. Prediction of monthly regional groundwater levels through hybrid soft-computing techniques

    Science.gov (United States)

    Chang, Fi-John; Chang, Li-Chiu; Huang, Chien-Wei; Kao, I.-Feng

    2016-10-01

    Groundwater systems are intrinsically heterogeneous with dynamic temporal-spatial patterns, which cause great difficulty in quantifying their complex processes, while reliable predictions of regional groundwater levels are commonly needed for managing water resources to ensure proper service of water demands within a region. In this study, we proposed a novel and flexible soft-computing technique that could effectively extract the complex high-dimensional input-output patterns of basin-wide groundwater-aquifer systems in an adaptive manner. The soft-computing models combined the Self Organized Map (SOM) and the Nonlinear Autoregressive with Exogenous Inputs (NARX) network for predicting monthly regional groundwater levels based on hydrologic forcing data. The SOM could effectively classify the temporal-spatial patterns of regional groundwater levels, the NARX could accurately predict the mean of regional groundwater levels for adjusting the selected SOM, the Kriging was used to interpolate the predictions of the adjusted SOM into finer grids of locations, and consequently the prediction of a monthly regional groundwater level map could be obtained. The Zhuoshui River basin in Taiwan was the study case, and its monthly data sets collected from 203 groundwater stations, 32 rainfall stations and 6 flow stations during 2000 and 2013 were used for modelling purpose. The results demonstrated that the hybrid SOM-NARX model could reliably and suitably predict monthly basin-wide groundwater levels with high correlations (R2 > 0.9 in both training and testing cases). The proposed methodology presents a milestone in modelling regional environmental issues and offers an insightful and promising way to predict monthly basin-wide groundwater levels, which is beneficial to authorities for sustainable water resources management.

  14. Research on the improvement of nuclear safety -Improvement of level 1 PSA computer code package-

    International Nuclear Information System (INIS)

    Park, Chang Kyoo; Kim, Tae Woon; Kim, Kil Yoo; Han, Sang Hoon; Jung, Won Dae; Jang, Seung Chul; Yang, Joon Un; Choi, Yung; Sung, Tae Yong; Son, Yung Suk; Park, Won Suk; Jung, Kwang Sub; Kang Dae Il; Park, Jin Heui; Hwang, Mi Jung; Hah, Jae Joo

    1995-07-01

    This year is the third year of the Government-sponsored mid- and long-term nuclear power technology development project. The scope of this sub project titled on 'The improvement of level-1 PSA computer codes' is divided into three main activities : (1) Methodology development on the underdeveloped fields such as risk assessment technology for plant shutdown and low power situations, (2) Computer code package development for level-1 PSA, (3) Applications of new technologies to reactor safety assessment. At first, in this area of shutdown risk assessment technology development, plant outage experiences of domestic plants are reviewed and plant operating states (POS) are decided. A sample core damage frequency is estimated for over draining event in RCS low water inventory i.e. mid-loop operation. Human reliability analysis and thermal hydraulic support analysis are identified to be needed to reduce uncertainty. Two design improvement alternatives are evaluated using PSA technique for mid-loop operation situation: one is use of containment spray system as backup of shutdown cooling system and the other is installation of two independent level indication system. Procedure change is identified more preferable option to hardware modification in the core damage frequency point of view. Next, level-1 PSA code KIRAP is converted to PC-windows environment. For the improvement of efficiency in performing PSA, the fast cutest generation algorithm and an analytical technique for handling logical loop in fault tree modeling are developed. 48 figs, 15 tabs, 59 refs. (Author)

  15. Computing the distribution of return levels of extreme warm temperatures for future climate projections

    Energy Technology Data Exchange (ETDEWEB)

    Pausader, M.; Parey, S.; Nogaj, M. [EDF/R and D, Chatou Cedex (France); Bernie, D. [Met Office Hadley Centre, Exeter (United Kingdom)

    2012-03-15

    In order to take into account uncertainties in the future climate projections there is a growing demand for probabilistic projections of climate change. This paper presents a methodology for producing such a probabilistic analysis of future temperature extremes. The 20- and 100-years return levels are obtained from that of the normalized variable and the changes in mean and standard deviation given by climate models for the desired future periods. Uncertainty in future change of these extremes is quantified using a multi-model ensemble and a perturbed physics ensemble. The probability density functions of future return levels are computed at a representative location from the joint probability distribution of mean and standard deviation changes given by the two combined ensembles of models. For the studied location, the 100-years return level at the end of the century is lower than 41 C with an 80% confidence. Then, as the number of model simulations is low to compute a reliable distribution, two techniques proposed in the literature (local pattern scaling and ANOVA) have been used to infer the changes in mean and standard deviation for the combinations of RCM and GCM which have not been run. The ANOVA technique leads to better results for the reconstruction of the mean changes, whereas the two methods fail to correctly infer the changes in standard deviation. As standard deviation change has a major impact on return level change, there is a need to improve the models and the different techniques regarding the variance changes. (orig.)

  16. Research on the improvement of nuclear safety -Improvement of level 1 PSA computer code package-

    Energy Technology Data Exchange (ETDEWEB)

    Park, Chang Kyoo; Kim, Tae Woon; Kim, Kil Yoo; Han, Sang Hoon; Jung, Won Dae; Jang, Seung Chul; Yang, Joon Un; Choi, Yung; Sung, Tae Yong; Son, Yung Suk; Park, Won Suk; Jung, Kwang Sub; Kang Dae Il; Park, Jin Heui; Hwang, Mi Jung; Hah, Jae Joo [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1995-07-01

    This year is the third year of the Government-sponsored mid- and long-term nuclear power technology development project. The scope of this sub project titled on `The improvement of level-1 PSA computer codes` is divided into three main activities : (1) Methodology development on the underdeveloped fields such as risk assessment technology for plant shutdown and low power situations, (2) Computer code package development for level-1 PSA, (3) Applications of new technologies to reactor safety assessment. At first, in this area of shutdown risk assessment technology development, plant outage experiences of domestic plants are reviewed and plant operating states (POS) are decided. A sample core damage frequency is estimated for over draining event in RCS low water inventory i.e. mid-loop operation. Human reliability analysis and thermal hydraulic support analysis are identified to be needed to reduce uncertainty. Two design improvement alternatives are evaluated using PSA technique for mid-loop operation situation: one is use of containment spray system as backup of shutdown cooling system and the other is installation of two independent level indication system. Procedure change is identified more preferable option to hardware modification in the core damage frequency point of view. Next, level-1 PSA code KIRAP is converted to PC-windows environment. For the improvement of efficiency in performing PSA, the fast cutest generation algorithm and an analytical technique for handling logical loop in fault tree modeling are developed. 48 figs, 15 tabs, 59 refs. (Author).

  17. Computationally based methodology for reengineering the high-level waste planning process at SRS

    International Nuclear Information System (INIS)

    Paul, P.K.; Gregory, M.V.; Wells, M.N.

    1997-01-01

    The Savannah River Site (SRS) has started processing its legacy of 34 million gallons of high-level radioactive waste into its final disposable form. The SRS high-level waste (HLW) complex consists of 51 waste storage tanks, 3 evaporators, 6 waste treatment operations, and 2 waste disposal facilities. It is estimated that processing wastes to clean up all tanks will take 30+ yr of operation. Integrating all the highly interactive facility operations through the entire life cycle in an optimal fashion-while meeting all the budgetary, regulatory, and operational constraints and priorities-is a complex and challenging planning task. The waste complex operating plan for the entire time span is periodically published as an SRS report. A computationally based integrated methodology has been developed that has streamlined the planning process while showing how to run the operations at economically and operationally optimal conditions. The integrated computational model replaced a host of disconnected spreadsheet calculations and the analysts' trial-and-error solutions using various scenario choices. This paper presents the important features of the integrated computational methodology and highlights the parameters that are core components of the planning process

  18. Comparative phyloinformatics of virus genes at micro and macro levels in a distributed computing environment.

    Science.gov (United States)

    Singh, Dadabhai T; Trehan, Rahul; Schmidt, Bertil; Bretschneider, Timo

    2008-01-01

    Preparedness for a possible global pandemic caused by viruses such as the highly pathogenic influenza A subtype H5N1 has become a global priority. In particular, it is critical to monitor the appearance of any new emerging subtypes. Comparative phyloinformatics can be used to monitor, analyze, and possibly predict the evolution of viruses. However, in order to utilize the full functionality of available analysis packages for large-scale phyloinformatics studies, a team of computer scientists, biostatisticians and virologists is needed--a requirement which cannot be fulfilled in many cases. Furthermore, the time complexities of many algorithms involved leads to prohibitive runtimes on sequential computer platforms. This has so far hindered the use of comparative phyloinformatics as a commonly applied tool in this area. In this paper the graphical-oriented workflow design system called Quascade and its efficient usage for comparative phyloinformatics are presented. In particular, we focus on how this task can be effectively performed in a distributed computing environment. As a proof of concept, the designed workflows are used for the phylogenetic analysis of neuraminidase of H5N1 isolates (micro level) and influenza viruses (macro level). The results of this paper are hence twofold. Firstly, this paper demonstrates the usefulness of a graphical user interface system to design and execute complex distributed workflows for large-scale phyloinformatics studies of virus genes. Secondly, the analysis of neuraminidase on different levels of complexity provides valuable insights of this virus's tendency for geographical based clustering in the phylogenetic tree and also shows the importance of glycan sites in its molecular evolution. The current study demonstrates the efficiency and utility of workflow systems providing a biologist friendly approach to complex biological dataset analysis using high performance computing. In particular, the utility of the platform Quascade

  19. COMPUTING

    CERN Multimedia

    P. MacBride

    The Computing Software and Analysis Challenge CSA07 has been the main focus of the Computing Project for the past few months. Activities began over the summer with the preparation of the Monte Carlo data sets for the challenge and tests of the new production system at the Tier-0 at CERN. The pre-challenge Monte Carlo production was done in several steps: physics generation, detector simulation, digitization, conversion to RAW format and the samples were run through the High Level Trigger (HLT). The data was then merged into three "Soups": Chowder (ALPGEN), Stew (Filtered Pythia) and Gumbo (Pythia). The challenge officially started when the first Chowder events were reconstructed on the Tier-0 on October 3rd. The data operations teams were very busy during the the challenge period. The MC production teams continued with signal production and processing while the Tier-0 and Tier-1 teams worked on splitting the Soups into Primary Data Sets (PDS), reconstruction and skimming. The storage sys...

  20. 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...