WorldWideScience

Sample records for atomic energy levels

  1. 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.

  2. Ground Levels and Ionization Energies for the Neutral Atoms

    Science.gov (United States)

    SRD 111 Ground Levels and Ionization Energies for the Neutral Atoms (Web, free access)   Data for ground state electron configurations and ionization energies for the neutral atoms (Z = 1-104) including references.

  3. A Quantum Model of Atoms (the Energy Levels of Atoms).

    Science.gov (United States)

    Rafie, Francois

    2001-01-01

    Discusses the model for all atoms which was developed on the same basis as Bohr's model for the hydrogen atom. Calculates the radii and the energies of the orbits. Demonstrates how the model obeys the de Broglie's hypothesis that the moving electron exhibits both wave and particle properties. (Author/ASK)

  4. CPT Magnetometer with Atomic Energy Level Modulation

    Institute of Scientific and Technical Information of China (English)

    LIU Guo-Bin; DU Run-Chang; LIU Chao-Yang; GU Si-Hong

    2008-01-01

    We propose and experimentally investigate a coherent population trapping state based magnetometer prototype with87 Rb atoms.Through modulating Zeeman sublevels with an ac magnetic field,not only a phase sensitive detection scheme suitable for miniature magnetometer is realized,but also the detection resolution of magnetic field intensity could be improved by a factor of two.Our study result indicates that it is a promising low power consumption miniature sensitive low magnetic field sensor offering spatially resolved measurement at the sub-millimetre level.

  5. Atomic level spatial variations of energy states along graphene edges.

    Science.gov (United States)

    Warner, Jamie H; Lin, Yung-Chang; He, Kuang; Koshino, Masanori; Suenaga, Kazu

    2014-11-12

    The local atomic bonding of carbon atoms around the edge of graphene is examined by aberration-corrected scanning transmission electron microscopy (STEM) combined with electron energy loss spectroscopy (EELS). High-resolution 2D maps of the EELS combined with atomic resolution annular dark field STEM images enables correlations between the carbon K-edge EELS and the atomic structure. We show that energy states of graphene edges vary across individual atoms along the edge according to their specific C-C bonding, as well as perpendicular to the edge. Unique spectroscopic peaks from the EELS are assigned to specific C atoms, which enables unambiguous spectroscopic fingerprint identification for the atomic structure of graphene edges with unprecedented detail.

  6. Atomic Energy Levels with QED and Contribution of the Screened Self-Energy

    OpenAIRE

    Bigot, Eric-Olivier Le; Indelicato, Paul

    2000-01-01

    We present an introduction to the principles behind atomic energy level calculations with Quantum Electrodynamics (QED) and the two-time Green's function method; this method allows one to calculate an effective Hamiltonian that contains all QED effects and that can be used to predict QED Lamb shifts of degenerate, quasidegenerate and isolated atomic levels.

  7. Atomic energy

    CERN Multimedia

    1996-01-01

    Interviews following the 1991 co-operation Agreement between the Department of Atomic Energy (DAE) of the Government of India and the European Organization for Nuclear Research (CERN) concerning the participation in the Large Hadron Collider Project (LHC) . With Chidambaram, R, Chairman, Atomic Energy Commission and Secretary, Department of Atomic Energy, Department of Atomic Energy (DAE) of the Government of India and Professor Llewellyn-Smith, Christopher H, Director-General, CERN.

  8. Level-energy-dependent mean velocities of excited tungsten atoms sputtered by krypton-ion bombardment

    Energy Technology Data Exchange (ETDEWEB)

    Nogami, Keisuke; Sakai, Yasuhiro; Mineta, Shota [Department of Physics, Toho University, Miyama, Funabashi, Chiba 274-8510 (Japan); Kato, Daiji; Murakami, Izumi [National Institute for Fusion Science, Toki, Gifu 509-5292, Japan and Department of Fusion Science, School of Physical Sciences, SOKENDAI (The Graduate University for Advanced Studies), Toki, Gifu 509-5292 (Japan); Sakaue, Hiroyuki A. [National Institute for Fusion Science, Toki, Gifu 509-5292 (Japan); Kenmotsu, Takahiro [Department of Biomedical Engineering, Faculty of Life and Medical Sciences, Doshisha University, Tatara-Miyakodani, Kyotanabe, Kyoto 610-0394 (Japan); Furuya, Kenji [Faculty of Arts and Science, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395 (Japan); Motohashi, Kenji, E-mail: motohashi@toyo.jp [Department of Biomedical Engineering, Faculty of Science and Engineering, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585, Japan and Bio-Nano Electronics Research Centre, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan)

    2015-11-15

    Visible emission spectra were acquired from neutral atoms sputtered by 35–60 keV Kr{sup +} ions from a polycrystalline tungsten surface. Mean velocities of excited tungsten atoms in seven different 6p states were also obtained via the dependence of photon intensities on the distance from the surface. The average velocities parallel to the surface normal varied by factors of 2–4 for atoms in the different 6p energy levels. However, they were almost independent of the incident ion kinetic energy. The 6p-level energy dependence indicated that the velocities of the excited atoms were determined by inelastic processes that involve resonant charge exchange.

  9. Energy levels of light atoms in strong magnetic fields

    CERN Document Server

    Thirumalai, Anand

    2014-01-01

    In this review article we provide an overview of the field of atomic structure of light atoms in strong magnetic fields. There is a very rich history of this field which dates back to the very birth of quantum mechanics. At various points in the past significant discoveries in science and technology have repeatedly served to rejuvenate interest in atomic structure in strong fields, broadly speaking, resulting in three eras in the development of this field; the historical, the classical and the modern eras. The motivations for studying atomic structure have also changed significantly as time progressed. The review presents a chronological summary of the major advances that occurred during these eras and discusses new insights and impetus gained. The review is concluded with a description of the latest findings and the future prospects for one of the most remarkably cutting-edge fields of research in science today.

  10. The regularities of the Rydberg energy levels of many-valence electron atom Al

    Institute of Scientific and Technical Information of China (English)

    郑能武; 孙育杰

    2000-01-01

    Within the scheme of the weakest bound electron potential model theory, the concept of spectral-level-like series is presented by reasonably classifying the Rydberg energy level of atom Al. Based on this concept, the regularities of the Rydberg energy levels are systematically studied. The deviations of the calculated values from the experimental values are generally about several percent of 1 cm, which is of high accuracy.

  11. Entropy-Energy Inequality for a Qutrit on the Example of a Three-Level Atom

    Science.gov (United States)

    Man'ko, V. I.; Markovich, L. A.

    2017-03-01

    We consider the entropy-energy inequality for a three-level atom implemented on superconducting circuits with the Josephson junction. It is suggested to use the positivity of the relative entropy of the qutritquantum system for verification of tomography of quantum states of qudits. The relations obtained are considered in detail on the example of the temperature density matrix.

  12. Energy Levels in Helium and Neon Atoms by an Electron-Impact Method.

    Science.gov (United States)

    Taylor, N.; And Others

    1981-01-01

    Electronic energy levels in noble gas atoms may be determined with a simple teaching apparatus incorporating a resonance potentials tube in which the electron beam intensity is held constant. The resulting spectra are little inferior to those obtained by more elaborate electron-impact methods and complement optical emission spectra. (Author/SK)

  13. Saturation of Energy Levels in Analytical Atomic Fluorescence Spectrometry. II. Experimental.

    Science.gov (United States)

    1981-01-30

    RESEARCH Contract N14-76-C-0838 Task Ao. NR 051-622 TECHNICAL REPORT NO. 34 SATURATION OF ENERGY LEVELS IN ANALYTICAL ATOMIC FLUORESCENCE SPECTROMETRY II...an assumption which is valid only if the daral o’l of 111, cxcilIatio n pulse is mucl ) longer than the fluorescence life- time of the tjaii!,ition

  14. Solution of the Energy Level of Hydrogen-Like Atom for the Debye Shidlding Potential

    Institute of Scientific and Technical Information of China (English)

    HUXian-Quan; HUWen-Jiang; 等

    2002-01-01

    The first-order revision and the approximation analytical formula of the energy levels for hydrogen-like atoms under the condition of Debye shielding potential are achieved by means of the Rayleigh-Schroedinger perturbation theory.meanwhile,the corresponding recurrence relations are obtained from the use of the solution of power series,Based on the above solutions and with the use of energy consistent method the equivalent value of second-order reversion under the condition of Debye shielding potential is produced as well and the esult is compared with the data obtained by the numerical method.Besides,the critical bond-state and corresponding cut-off conditions are discussed.

  15. Greatly enhanced intensity-difference squeezing via energy-level modulations in hot atomic media

    CERN Document Server

    Zhang, Da; Zhang, Zhaoyang; Zhang, Yiqi; Zhang, Yanpeng; Xiao, Min

    2016-01-01

    Narrow-band intensity-difference squeezing (IDS) beams have important applications in quantum metrology and quantum information. The best way to generate narrow-band IDS is to employ parametrically-amplified (PA) four-wave mixing (FWM) process in high-gain atomic media. Such IDS can be further enhanced by cascading multiple PA-FWM processes in separate atomic media. The complicated experimental setup, added losses and mechanical stability can limit the wide uses of such scheme in practical applications. Here, we show that by modulating/dressing the internal energy level(s) with additional laser(s), the degree of original IDS can be substantially increased. With an initial IDS of $-4.0\\pm0.1$ dB using PA-non-degenerate-FWM process in a three-level $\\Lambda$-type configuration, the degree of IDS can be enhanced to $-7.0\\pm0.1$ dB/$-8.1\\pm0.1$ dB when we use one/two laser beam(s) to modulate the involved ground/excited state(s). Our results show a low-loss, robust and efficient way to produce high degree of IDS ...

  16. Two-atom interaction energies with one atom in an excited state: van der Waals potentials versus level shifts

    Science.gov (United States)

    Donaire, M.

    2016-05-01

    I revisit the problem of the interaction between two dissimilar atoms with one atom in an excited state, recently addressed by Berman [Phys. Rev. A 91, 042127 (2015), 10.1103/PhysRevA.91.042127], Donaire et al. [Phys. Rev. Lett. 115, 033201 (2015), 10.1103/PhysRevLett.115.033201], and Milonni and Rafsanjani [Phys. Rev. A 92, 062711 (2015), 10.1103/PhysRevA.92.062711], for which precedent approaches have given conflicting results. In the first place, I discuss to what extent these works provide equivalent results. I show that the phase-shift rate of the two-atom wave function computed by Berman, the van der Waals potential of the excited atom by Donaire et al., and the level shift of the excited atom by Milonni and Rafsanjani possess equivalent expressions in the quasistationary approximation. In addition, I show that the level shift of the ground-state atom computed by Milonni and Rafsanjani is equivalent to its van der Waals potential. A diagrammatic representation of all those quantities is provided. The equivalences among them are, however, not generic. In particular, it is found that for the case of the interaction between two identical atoms excited, the phase-shift rate and the van der Waals potentials differ. Concerning the conflicting results of previous approaches in regards to the spatial oscillation of the interactions, I conclude, in agreement with Berman and with Milonni and Rafsanjani, that they refer to different physical quantities. The impacts of free-space dissipation and finite excitation rates on the dynamics of the potentials are analyzed. In contrast with Milonni and Rafsanjani, the oscillatory versus monotonic spatial forms of the potentials of each atom are found not to be related to the reversible versus irreversible nature of the excitation transfer involved.

  17. Laser spectroscopy of the antiprotonic helium atom – its energy levels and state lifetimes

    CERN Document Server

    Hidetoshi, Yamaguchi

    2003-01-01

    The antiprotonic atom is a three-body exotic system consisting of an antiproton, an electron and a helium nucleus. Its surprising longevity was found and has been studied for more than 10 years. In this work, transition energies and lifetimes of this exotic atom were systematically studied by using the antiproton beam of AD(Antiproton Decelerator) facility at CERN, with an RFQ antiproton decelerator, a narrow-bandwidth laser, Cerenkov counters with fast-response photomultiplier tubes, and cryogenic helium target systems. Thirteen transition energies were determined with precisions of better than 200 ppb by a laser spectroscopy method, together with the elimination of the shift effect caused by collisions with surrounding atoms. Fifteen lifetimes (decay rates) of short-lived states were determined from the time distributions of the antiproton-annihilation signals and the resonance widths of the atomic spectral lines. The relation between the magnitude of the decay rates and the transition multipolarity was inv...

  18. Dependence of the atomic energy levels on a superstrong magnetic field with account of a finite nucleus radius and mass

    Science.gov (United States)

    Godunov, S. I.; Vysotsky, M. I.

    2013-06-01

    The influence of the finiteness of the proton radius and mass on the energies of a hydrogen atom and hydrogenlike ions in a superstrong magnetic field is studied. The finiteness of the nucleus size pushes the ground energy level up leading to a nontrivial dependence of the value of the critical nucleus charge on the external magnetic field.

  19. 75 FR 24755 - DTE ENERGY; Enrico Fermi Atomic Power Plant Unit 1; Exemption From Certain Low-Level Waste...

    Science.gov (United States)

    2010-05-05

    ... COMMISSION DTE ENERGY; Enrico Fermi Atomic Power Plant Unit 1; Exemption From Certain Low-Level Waste Shipment Tracking Requirements In 10 CFR Part 20 Appendix G 1.0 Background DTE Energy (DTE) is the licensee.... DTE is in the process of decommissioning Fermi-1 and radioactive waste shipments from the site are...

  20. Formation of Triboelectric Series via Atomic-Level Surface Functionalization for Triboelectric Energy Harvesting.

    Science.gov (United States)

    Shin, Sung-Ho; Bae, Young Eun; Moon, Hyun Kyung; Kim, Jungkil; Choi, Suk-Ho; Kim, Yongho; Yoon, Hyo Jae; Lee, Min Hyung; Nah, Junghyo

    2017-06-27

    Triboelectric charging involves frictional contact of two different materials, and their contact electrification usually relies on polarity difference in the triboelectric series. This limits the choices of materials for triboelectric contact pairs, hindering research and development of energy harvest devices utilizing triboelectric effect. A progressive approach to resolve this issue involves modification of chemical structures of materials for effectively engineering their triboelectric properties. Here, we describe a facile method to change triboelectric property of a polymeric surface via atomic-level chemical functionalizations using a series of halogens and amines, which allows a wide spectrum of triboelectric series over single material. Using this method, tunable triboelectric output power density is demonstrated in triboelectric generators. Furthermore, molecular-scale calculation using density functional theory unveils that electrons transferred through electrification are occupying the PET group rather than the surface functional group. The work introduced here would open the ability to tune triboelectric property of materials by chemical modification of surface and facilitate the development of energy harvesting devices and sensors exploiting triboelectric effect.

  1. Impact of Atomic Structure on Absolute Energy Levels of Methylammonium Lead Iodide Perovskite

    Science.gov (United States)

    Choi, Joshua

    2015-03-01

    There has been a staggeringly rapid increase in the photovoltaic performance of methylammonium lead iodide (MAPbI3) perovskite - greater than 19 percent solar cell power conversion efficiency has been reported in less than five years since the first report in 2009. Despite the progress in device performance, structure-property relationships in MAPbI3 are still poorly understood. I will present our recent findings on the impact of changing the Pb-I bond length and Pb-I-Pb bond angle on the electronic structure of MAPbI3. By using the combination of temperature dependent X-ray scattering, ultraviolet photoelectron spectroscopy, absorbance and PL spectroscopy, we show that the energy levels of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) shift in the same direction as MAPbI3 goes through tetragonal-to-cubic structural phase transition wherein the rotational angle of PbI6 octahedra is the order parameter of the transition. Our experimental results are corroborated by density functional theory calculations which show that the lattice expansion and bond angle distortion cause different degree of orbital overlap between the Pb and I atoms and the anti-bonding orbital nature of both HOMO and LUMO results in the same direction of their shift. Moreover, through pair distribution function analysis of X-ray scattering, we discovered that the majority of MAPbI3 in thin film solar cell layer has highly disordered structure with a coherence range of only 1.4 nm. The nanostructuring correlates with a blueshift of the absorption onset and increases the photoluminescence. Our results underscore the importance of understanding the structure-property relationships in order to improve the device performance of metal-organic perovskites.

  2. 氢原子能级与碱金属原子能级的比较研究%Comparative Studying of Hydrogen Atomic Energy Level and Alkali Metal Atomic Energy Level

    Institute of Scientific and Technical Information of China (English)

    王建伟; 蒲小芹

    2014-01-01

    The article by Bohr theory and The analysis of forces method, considered the interaction of different sit-uation, hydrogen atoms with alkali metal atomic energy level structure have been analyzed, and the numerical cal-culation, energy level diagram have been drawn out., Hydrogen energy and alkali metal atomic energy level were compared, by using the method of comparative study on the similarities and differences are found out.%运用玻尔理论及受力分析的方法,考虑相互作用的不同情况,分析了氢原子与碱金属原子能级结构,并进行了数值计算,画出了能级结构图。再运用比较研究的方法对氢原子能级与碱金属原子能级进行比较,找出其相同点及不同点。

  3. 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

  4. Energy from the Atom.

    Science.gov (United States)

    Smith, Patricia L.

    This curriculum guide was written to supplement fifth and sixth grade science units on matter and energy. It was designed to provide more in-depth material on the atom. The first part, "Teacher Guide," contains background information, biographical sketches of persons in the history of nuclear energy, vocabulary, answer sheets, management sheets…

  5. Nuclear Polarization Correction of Atomic Energy Levels%核极化对K-原子能级的修正

    Institute of Scientific and Technical Information of China (English)

    王炳章; 游阳明; 张学龙

    2011-01-01

    基于SIC-Xα的较为严格的计算方法,对K-Pb原子体系中的Rydberg电子态的交换参数采用自洽场模型,并考虑Rydberg电子与原子实间相互作用的影响.借助此方法计算核极化用以修正C.J.Batty光学模型势下的K-Pb能级跃迁,整个计算过程不依赖任何经验参数,结果比经典方法更为精确,为奇异原子的深入分析提供了理论参考.%Based on the more stringent calculating method of SIC- Xα , the self-consistent field model is used to exchange parameters of Rydberg electron of K- Pb atoms, and the influence of the interaction between Rydberg electron and atomic kernel is considered. The nuclear polarization is calculated by using the method to correct K-Pb energy level transition under C. J. Battery optical model potential. The whole calculations is independent of empirical parameters. Its results are much more accurate than those calculated by the classical method, which provides a theoretical basis for the depth analysis of the exotic atoms.

  6. A general discrete variable method to calculate vibrational energy levels of three- and four-atom molecules

    Science.gov (United States)

    Bramley, Matthew J.; Carrington, Tucker, Jr.

    1993-12-01

    We present a general variational method to calculate vibrational energy levels of polyatomic molecules without dynamical approximation. The method is based on a Lanczos algorithm, which does not require storage of the Hamiltonian matrix. The rate-determining step of each Lanczos iteration is the evaluation of the product of the matrix and a trial vector. We use simple product basis functions and write the Hamiltonian as a sum of factorizable terms. With n one-dimensional functions in each of f dimensions, the matrix-vector product requires no more than cnf+1 multiplications for a single term involving c coordinates. Choosing a (potential optimized) discrete variable representation (DVR) in each dimension, the potential energy matrix is diagonal. The rate-determining step is now the multiplication of a vector by the kinetic energy matrix and c is effectively (with rare exceptions) at most two. The nf+1 scaling holds for both diagonal and mixed second derivative operators. The method is directly applicable to any three-atom and any nonlinear four-atom molecule. We use a variety of coordinate systems (Jacobi, Radau, a hybrid of the two, and bond), for which the total number of factorizable terms in the exact kinetic energy operator is never large, to calculate very well-converged band origins of H2O up to 22 000 cm-1, of H+3 up to 18 000 cm-1, and of CH2O up to 5700 cm-1; and low-lying levels of H2O2. The results for CH2O are new, and those for H+3 clarify the causes of discrepancies in published work. The product basis results in very large matrices (up to 500 000×500 000 for four atoms), but the cost is within an order of magnitude of that of contracted-basis approaches using explicit diagonalization. While contracted basis approaches are molecule and Hamiltonian specific, it was possible to apply the DVR-Lanczos method to all the examples presented here with a single computer program. The principal advantage of our method is thus its generality, and in this

  7. 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.

  8. 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.

  9. The dependence of the atomic energy levels on a superstrong magnetic field with account of a finite nucleus radius and mass

    CERN Document Server

    Godunov, S I

    2013-01-01

    The influence of the finiteness of the proton radius and mass on the energies of a hydrogen atom and hydrogen-like ions in a superstrong magnetic field is studied. The finiteness of the nucleus size pushes the ground energy level up leading to a nontrivial dependence of the value of critical nucleus charge on the external magnetic field.

  10. Role of atomic-level defects and electronic energy loss on amorphization in LiNbO3 single crystals

    Science.gov (United States)

    Sellami, N.; Crespillo, M. L.; Xue, H.; Zhang, Y.; Weber, W. J.

    2017-08-01

    Understanding complex non-equilibrium defect processes, where multiple irradiation mechanisms may take place simultaneously, is a long standing subject in material science. The separate and combined effects of elastic and inelastic energy loss are a very complicated and challenging topic. In this work, LiNbO3 has been irradiated with 0.9 MeV Si+ and 8 MeV O3+, which are representative of regimes where nuclear (S n) and electronic (S e) energy loss are dominant, respectively. The evolution of damage has been investigated by Rutherford backscattering spectrometry (RBS) in channeling configuration. Pristine samples were irradiated with 0.9 MeV Si+ ions to create different pre-existing damage states. Below the threshold (S e,th  =  5-6 keV nm-1) for amorphous track formation in this material, irradiation of the pristine samples with a highly ionizing beam of 8 MeV O3+ ions, with nearly constant S e of about 3 keV nm-1, induces a crystalline to amorphous phase transition at high ion fluences. In the pre-damaged samples, the electronic energy loss from the 8 MeV O3+ ions interacts synergistically with the pre-existing damage, resulting in a rapid, non-linear increase in damage production. There is a significant reduction in the incubation fluence for rapid amorphization with the increasing amount of pre-existing damage. These results highlight the important role of atomic-level defects on increasing the sensitivity of some oxides to amorphization induced by electronic energy loss. Controlling the nature and amount of pre-damage may provide a new approach to tuning optical properties for photonic device applications.

  11. Electron correlation energies in atoms

    Science.gov (United States)

    McCarthy, Shane Patrick

    This dissertation is a study of electron correlation energies Ec in atoms. (1) Accurate values of E c are computed for isoelectronic sequences of "Coulomb-Hooke" atoms with varying mixtures of Coulombic and Hooke character. (2) Coupled-cluster calculations in carefully designed basis sets are combined with fully converged second-order Moller-Plesset perturbation theory (MP2) computations to obtain fairly accurate, non-relativistic Ec values for the 12 closed-shell atoms from Ar to Rn. The complete basis-set (CBS) limits of MP2 energies are obtained for open-shell atoms by computations in very large basis sets combined with a knowledge of the MP2/CBS limit for the next larger closed-shell atom with the same valence shell structure. Then higher-order correlation corrections are found by coupled-cluster calculations using basis sets that are not quite as large. The method is validated for the open-shell atoms from Al to Cl and then applied to get E c values, probably accurate to 3%, for the 4th-period open-shell atoms: K, Sc-Cu, and Ga-Br. (3) The results show that, contrary to quantum chemical folklore, MP2 overestimates |Ec| for atoms beyond Fe. Spin-component scaling arguments are used to provide a simple explanation for this overestimation. (4) Eleven non-relativistic density functionals, including some of the most widely-used ones, are tested on their ability to predict non-relativistic, electron correlation energies for atoms and their cations. They all lead to relatively poor predictions for the heavier atoms. Several novel, few-parameter, density functionals for the correlation energy are developed heuristically. Four new functionals lead to improved predictions for the 4th-period atoms without unreasonably compromising accuracy for the lighter atoms. (5) Simple models describing the variation of E c with atomic number are developed.

  12. High-energy atomic physics

    CERN Document Server

    Drukarev, Evgeny G

    2016-01-01

    This self-contained text introduces readers to the field of high-energy atomic physics - a new regime of photon-atom interactions in which the photon energies significantly exceed the atomic or molecular binding energies, and which opened up with the recent advent of new synchrotron sources. From a theoretical point of view, a small-parameter characteristic of the bound system emerged, making it possible to perform analytic perturbative calculations that can in turn serve as benchmarks for more powerful numerical computations. The first part of the book introduces readers to the foundations of this new regime and its theoretical treatment. In particular, the validity of the small-parameter perturbation expansion and of the lowest-order approximation is critically reviewed. The following chapters then apply these insights to various atomic processes, such as photoionization as a many-body problem, dominant mechanisms for the production of ions at higher energies, Compton scattering and ionization accompanied b...

  13. Collisional energy transfer in gaseous xenon with vacuum ultraviolet laser excitation of the 5d[1/2]1 atomic level

    Science.gov (United States)

    Museur, L.; Kanaev, A. V.; Zheng, W. Q.; Castex, M. C.

    1994-12-01

    Time-resolved analysis of the luminescence decay of gaseous xenon has been carried out with one-photon excitation of the 5d[1/2]1 atomic level for the first time. The one-photon selective excitation is realized with a coherent vacuum ultraviolet (VUV) light source generated via nonlinear processes in mercury vapor. Dominant three-body recombination of Xe(5d[1/2]1) atoms with a rate constant of 3.2(0.3)×10-31 cm6 s-1 has been found. Resonance radiation from this atomic level undergoes a self-trapping, which results in its dominant fluorescence decay in the IR with t=4.9(0.7) μs. Branching into two relaxation channels is found at low xenon pressure (5-100 mbar)—both avoiding the 6s[3/2]1 first resonance atomic level and terminating by VUV emission. At higher pressure, the relaxation kinetics changes displaying after 500 mbar the well known effect of ``atomic reservoir'' and radiation from the A1u/0-u molecular state with lifetime of 101(4) ns. The scheme of energy relaxation involving the 5d[1/2]1 atomic level is discussed.

  14. A simple method for solving the Z>137 problem for energy levels of hydrogen-like atoms

    CERN Document Server

    Gorbatenko, M V; Safronov, I I

    2013-01-01

    The "catastrophe" in solving the Dirac equation for an electron in the field of a point electric charge, which emerges for the charge numbers Z > 137, is removed in this work by effective accounting of finite dimensions of nuclei. For this purpose, in numerical solutions of equations for Dirac radial wave functions, we introduce a boundary condition at the nucleus boundary r_{N}=(1,2 - 1,4)10^{-13}A^{1/3}cm such that the \\varphi-component of the electron current density is zero. As a result, for all nuclei of the periodic table, 1 \\leg Z \\leg 105, the calculated energy levels practically coincide with the energy levels in standard solutions of the Dirac equation in the external field of the Coulomb potential of a point charge. Further, for Z > 105, the calculated energy level functions E(Z)are monotone and smooth.The lower energy level 1S_{1/2} reaches the energy E=-mc^{2}(the electron "drop" on a nuclei) at Z_{c}\\approx 185. The proposed method of accounting of the finite size of nuclei can be easily used in...

  15. Atomic Batteries: Energy from Radioactivity

    OpenAIRE

    Kumar, Suhas

    2015-01-01

    With alternate, sustainable, natural sources of energy being sought after, there is new interest in energy from radioactivity, including natural and waste radioactive materials. A study of various atomic batteries is presented with perspectives of development and comparisons of performance parameters and cost. We discuss radioisotope thermal generators, indirect conversion batteries, direct conversion batteries, and direct charge batteries. We qualitatively describe their principles of operat...

  16. Raman - Nath approximation for diffraction of atoms in the laser field taking into account spontaneous emission of atoms for ground and high energy level

    Science.gov (United States)

    Hovhannisayan, L.; Muradyan, A. Zh

    2012-03-01

    The problem of resonant Kapitza - Dirac diffraction is solved in Raman - Nath approximation out of familiar Bessel function approximation (applicable in zero and very large resonance detuning cases). It shows new and promising results for the atom optics and atom interferometry if the atomic momentum state has been prepared in a form of discrete Gaussian distribution. Namely, instead of monotonic broadening within the Bessel function approximation, our formula yields in splitting of initial distribution into two identical peaks, whith preserving form, which symmetrically move away from the distribution center for the interaction time. A table-shaped form for the ultimate momentum distribution also is in frame of new distributions. As to relaxation processes, they have only quantitative influence on the pattern of diffraction.

  17. Relativistic nuclear recoil corrections to the energy levels of hydrogen-like and high Z lithium like atoms in all orders in $\\alpha$Z

    CERN Document Server

    Artemiev, A N; Yerokhin, V A

    1995-01-01

    The relativistic nuclear recoil corrections to the energy levels of low-laying states of hydrogen-like and high Z lithium-like atoms in all orders in \\alpha Z are calculated. The calculations are carried out using the B-spline method for the Dirac equation. For low Z the results of the calculation are in good agreement with the \\alpha Z -expansion results. It is found that the nuclear recoil contribution, additional to the Salpeter's one, to the Lamb shift (n=2) of hydrogen is -1.32(6)\\,kHz. The total nuclear recoil correction to the energy of the (1s)^{2}2p_{\\frac{1}{2}}-(1s)^{2}2s transition in lithium-like uranium constitutes -0.07\\,eV and is largely made up of QED contributions.

  18. 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.

  19. Deviation from Boltzmann distribution in excited energy levels of singly-ionized iron in an argon glow discharge plasma for atomic emission spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Lei; Kashiwakura, Shunsuke; Wagatsuma, Kazuaki, E-mail: wagatuma@imr.tohoku.ac.jp

    2012-01-15

    A Boltzmann plot for many iron ionic lines having excitation energies of 4.7-9.1 eV was investigated in an argon glow discharge plasma when the discharge parameters, such as the voltage/current and the gas pressure, were varied. A Grimm-style radiation source was employed in a DC voltage range of 400-800 V at argon pressures of 400-930 Pa. The plot did not follow a linear relationship over a wide range of the excitation energy, but it yielded a normal Boltzmann distribution in the range of 4.7-5.8 eV and a large overpopulation in higher-lying excitation levels of iron ion. A probable reason for this phenomenon is that excitations for higher excited energy levels of iron ion would be predominantly caused by non-thermal collisions with argon species, the internal energy of which is received by iron atoms for the ionization. Particular intense ionic lines, which gave a maximum peak of the Boltzmann plot, were observed at an excitation energy of ca. 7.7 eV. They were the Fe II 257.297-nm and the Fe II 258.111-nm lines, derived from the 3d{sup 5}4s4p {sup 6}P excited levels. The 3d{sup 5}4s4p {sup 6}P excited levels can be highly populated through a resonance charge transfer from the ground state of argon ion, because of good matching in the excitation energy as well as the conservation of the total spin before and after the collision. An enhancement factor of the emission intensity for various Fe II lines could be obtained from a deviation from the normal Boltzmann plot, which comprised the emission lines of 4.7-5.8 eV. It would roughly correspond to a contribution of the charge transfer excitation to the excited levels of iron ion, suggesting that the charge-transfer collision could elevate the number density of the corresponding excited levels by a factor of ca.10{sup 4}. The Boltzmann plots give important information on the reason why a variety of iron ionic lines can be emitted from glow discharge plasmas.

  20. Multiconfiguration Dirac-Hartree-Fock energy levels, oscillator strengths, transition probabilities, hyperfine constants and Landé g-factor of intermediate Rydberg series in neutral argon atom

    Science.gov (United States)

    Salah, Wa'el; Hassouneh, Ola

    2017-04-01

    We computed the energy levels, oscillator strengths f_{ij}, the radiative transition rates A_{ij}, the Landé g -factor, the magnetic dipole moment and the electric quadrupole hyperfine constants of the intermediate Rydberg series ns [k]J ( 4 ≤ n ≤ 6), nd [k]J (3 ≤ n ≤ 4), np [k]J (4 ≤ n ≤ 5) relative to the ground state 3p6 1S0 for neutral argon atom spectra. The values are obtained in the framework of the multiconfiguration Dirac-Hartree-Fock (MCDHF) approach. In this approach, Breit interaction, leading quantum electrodynamics (QED) effects and self-energy correction are taken into account. Moreover, these spectroscopic parameters have been calculated for many levels belonging to the configuration 3p54s, 3p55s, 3p56s, 3p53d, 3p54d, 3p54p, 3p55p as well as for transitions between levels 3p54s-3p54p, 3p54p-3p53d, 3p54p-3p55s, 3p55s-3p55p and 3p55p-3p56s. The large majority of the lines from the 4p-5s and 4p-3d, 5s-5p and 5p-6s transition arrays have been observed and the calculations are consistent with the J -file-sum rule. The obtained theoretical values are compared with previous experimental and theoretical data available in the literature. An overall satisfactory agreement is noticed allowing assessing the reliability of our data.

  1. Atom-interferometric measurement of Stark level splittings

    CERN Document Server

    Wang, Limei; Zhang, Linjie; Raithel, Georg; Zhao, Jianming; Jia, Suotang

    2015-01-01

    Multiple adiabatic/diabatic passages through avoided crossings in the Stark map of cesium Rydberg atoms are employed as beam splitters and recombiners in an atom-interferometric measurement of energy-level splittings. We subject cold cesium atoms to laser-excitation, electric-field and detection sequences that constitute an (internal-state) atom interferometer. For the read-out of the interferometer we utilize state-dependent collisions, which selectively remove atoms of one kind from the detected signal. We investigate the dependence of the interferometric signal on timing and field parameters, and find good agreement with time-dependent quantum simulations of the interferometer. Fourier analysis of the interferometric signals yield coherence frequencies that agree with corresponding energy-level differences in calculated Stark maps. The method enables spectroscopy of states that are inaccessible to direct laser-spectroscopic observation, due to selection rules, and has applications in field metrology.

  2. A History of the Atomic Energy Commission

    Science.gov (United States)

    Buck, Alice L.

    1983-07-01

    This pamphlet traces the history of the US Atomic Energy Commission's twenty-eight year stewardship of the Nation's nuclear energy program, from the signing of the Atomic Energy Act on August 1, 1946 to the signing of the Energy Reorganization Act on October 11, 1974. The Commission's early concentration on the military atom produced sophisticated nuclear weapons for the Nation's defense and made possible the creation of a fleet of nuclear submarines and surface ships. Extensive research in the nuclear sciences resulted in the widespread application of nuclear technology for scientific, medical and industrial purposes, while the passage of the Atomic Energy Act of 1954 made possible the development of a nuclear industry, and enabled the United States to share the new technology with other nations.

  3. Relativistic many-body calculations of energy levels, hyperfine constants, electric-dipole matrix elements and static polarizabilities for alkali-metal atoms

    CERN Document Server

    Safronova, M S; Derevianko, S A

    1999-01-01

    Removal energies and hyperfine constants of the lowest four $ns, np_{1/2}$ and $np_{3/2}$ states in Na, K, Rb and Cs are calculated; removal energies of the n=7--10 states and hyperfine constants of the n=7 and 8 states in Fr are also calculated. The calculations are based on the relativistic single-double (SD) approximation in which single and double excitations of Dirac-Hartree-Fock (DHF) wave functions are included to all-orders in perturbation theory. Using SD wave functions, accurate values of removal energies, electric-dipole matrix elements and static polarizabilities are obtained, however, SD wave functions give poor values of magnetic-dipole hyperfine constants for heavy atoms. To obtain accurate values of hyperfine constants for heavy atoms, we include triple excitations partially in the wave functions. The present calculations provide the basis for reevaluating PNC amplitudes in Cs and Fr.

  4. Why? The nuclear and atomic energy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kwangwoong

    2009-01-15

    This book is a science comic book for students in elementary school, which contains energy and life such as our body and energy, animal and energy, plant and energy, kinetic energy, potential energy and the principle of the conservation of energy in the first part. The second part explains fossil fuel like coal, petroleum and natural gas. Next it deals with electric power, nuclear energy such as atom and molecule, nuclear fusion and energy for future like solar cell and black hole power plant.

  5. Energy Wave Model of Atom

    Institute of Scientific and Technical Information of China (English)

    伍细如

    2015-01-01

    proton emits energy wave, electron could sits any position away from nucleus, but be the most stable just when it sits at the trough of energy wave, and this position accords with Bohr radius and Schr?dinger equation.

  6. Some studies of the interaction between N-two level atoms and three level atom

    Directory of Open Access Journals (Sweden)

    D.A.M. Abo-Kahla

    2016-07-01

    Full Text Available In this paper, we present the analytical solution for the model that describes the interaction between a three level atom and two systems of N-two level atoms. The effect of the quantum numbers on the atomic inversion and the purity, for some special cases of the initial states, are investigated. We observe that the atomic inversion and the purity change remarkably by the change of the quantum numbers.

  7. The Future of Atomic Energy

    Science.gov (United States)

    Fermi, E.

    1946-05-27

    There is definitely a technical possibility that atomic power may gradually develop into one of the principal sources of useful power. If this expectation will prove correct, great advantages can be expected to come from the fact that the weight of the fuel is almost negligible. This feature may be particularly valuable for making power available to regions of difficult access and far from deposits of coal. It also may prove a great asset in mobile power units for example in a power plant for ship propulsion. On the negative side there are some technical limitations to be applicability of atomic power of which perhaps the most serious is the impossibility of constructing light power units; also there will be some peculiar difficulties in operating atomic plants, as for example the necessity of handling highly radioactive substances which will necessitate, at least for some considerable period, the use of specially skilled personnel for the operation. But the chief obstacle in the way of developing atomic power will be the difficulty of organizing a large scale industrial development in an internationally safe way. This presents actually problems much more difficult to solve than any of the technical developments that are necessary, It will require an unusual amount of statesmanship to balance properly the necessity of allaying the international suspicion that arises from withholding technical secrets against the obvious danger of dumping the details of the procedures for an extremely dangerous new method of warfare on a world that may not yet be prepared to renounce war. Furthermore, the proper balance should be found in the relatively short time that will elapse before the 'secrets' will naturally become open knowledge by rediscovery on part of the scientists and engineers of other countries.

  8. The Level-split of the Two-level Entangled Atom in an Optical Field

    Institute of Scientific and Technical Information of China (English)

    CAO Zhuoliang; HUANG Ting; GUO Guangcan; YI Youming

    2002-01-01

    The behavior of a two-level entangled atom in an optical field with circular polarization is studied in this paper. The interaction of an optical field and one of the entangled atoms is analyzed in detail. A general solution of the SchrAo¨Gdinger equation about the motion of the entangled atom is obtained. The properties of the action are dependent on the initial state of the atom. By detecting the entangled atom out of the field, we can obtain the state of the other atom moving in the field. It is shown that the state of the atom out of the field will influence the energies of the split-levels of the atom in the field.

  9. Energy storage possibilities of atomic hydrogen

    Science.gov (United States)

    Etters, R. D.; Dugan, J. V., Jr.; Palmer, R.

    1976-01-01

    Several recent experiments designed to produce and store macroscopic quantities of atomic hydrogen are discussed. The bulk, ground state properties of atomic hydrogen, deuterium, and tritium systems are calculated assuming that all pair interactions occur via the atomic triplet potential. The conditions required to obtain this system, including inhibition of recombination through the energetically favorable singlet interaction, are discussed. The internal energy, pressure, and compressibility are calculated applying the Monte Carlo technique with a quantum mechanical variational wavefunction. The system studied consisted of 32 atoms in a box with periodic boundary conditions. Results show that atomic triplet hydrogen and deuterium remain gaseous at 0 K; i.e., the internal energy is positive at all molar volumes considered.

  10. Low Energy Atomic Photodesorption from Organic Coatings

    Directory of Open Access Journals (Sweden)

    Alessandro Lucchesini

    2016-10-01

    Full Text Available Organic coatings have been widely used in atomic physics during the last 50 years because of their mechanical properties, allowing preservation of atomic spins after collisions. Nevertheless, this did not produce detailed insight into the characteristics of the coatings and their dynamical interaction with atomic vapors. This has changed since the 1990s, when their adsorption and desorption properties triggered a renewed interest in organic coatings. In particular, a novel class of phenomena produced by non-destructive light-induced desorption of atoms embedded in the coating surface was observed and later applied in different fields. Nowadays, low energy non-resonant atomic photodesorption from organic coatings can be considered an almost standard technique whenever large densities of atomic vapors or fast modulation of their concentration are required. In this paper, we review the steps that led to this widespread diffusion, from the preliminary observations to some of the most recent applications in fundamental and applied physics.

  11. Using an expanding nondirect product harmonic basis with an iterative eigensolver to compute vibrational energy levels with as many as seven atoms

    Science.gov (United States)

    Brown, James; Carrington, Tucker

    2016-10-01

    We demonstrate that it is possible to use a variational method to compute 50 vibrational levels of ethylene oxide (a seven-atom molecule) with convergence errors less than 0.01 cm-1. This is done by beginning with a small basis and expanding it to include product basis functions that are deemed to be important. For ethylene oxide a basis with fewer than 3 × 106 functions is large enough. Because the resulting basis has no exploitable structure we use a mapping to evaluate the matrix-vector products required to use an iterative eigensolver. The expanded basis is compared to bases obtained from pre-determined pruning condition. Similar calculations are presented for molecules with 3, 4, 5, and 6 atoms. For the 6-atom molecule, CH3CH, the required expanded basis has about 106 000 functions and is about an order of magnitude smaller than bases made with a pre-determined pruning condition.

  12. The mean excitation energy of atomic ions

    DEFF Research Database (Denmark)

    Sauer, Stephan P. A.; Oddershede, Jens

    2015-01-01

    A method for calculation of the mean excitation energies of atomic ions is presented, making the calculation of the energy deposition of fast ions to plasmas, warm, dense matter, and complex biological systems possible. Results are reported to all ions of helium, lithium, carbon, neon, aluminum...

  13. The Harnessed Atom: Nuclear Energy & Electricity.

    Science.gov (United States)

    Department of Energy, Washington, DC. Nuclear Energy Office.

    This document is part of a nuclear energy curriculum designed for grades six through eight. The complete kit includes a written text, review exercises, activities for the students, and a teachers guide. The 19 lessons in the curriculum are divided into four units including: (1) "Energy and Electricity"; (2) "Understanding Atoms and Radiation"; (3)…

  14. ATOMIZATION CAUSED BY BOTTOM FLOW ENERGY DISSIPATION

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Bottom flow energy dissipation is one of the common energydissipation methods for flood-releasing structures with high water head. Measures of this energy dissipation depend mainly on the turbulent action of hydraulic jump.In this paper, the physical process and the calculating methods of the atomization caused by bottom flow energy dissipation were studied, the computation models of atomization quantity for the self-aerated flow in overflow and hydraulic jump regions are presented, and the main results are of theoretical and practical significance for the hydraulic and electric engineering.

  15. Quantitative comparisons of genotoxic effects of atomic energy and fossil-fuelled energy. Rad-equivalences for ethylene, ethylene oxide and formaldehyde - consequences for decisions at Government level

    Energy Technology Data Exchange (ETDEWEB)

    Latarjet, R.; Averbeck, D.; Levy, S.; Poirier, V. (Section de Biologie, Institut Curie, Paris, France)

    1982-01-01

    Rad-equivalences have been determined on the basis of data on the genotoxic effects of low linear energy transfer ionizing radiation and of three chemical pollutants - ethylene, ethylene oxide and formaldehyde - emitted from energy-producing power plants. In the case of ethylene and its metabolite, ethylene oxide, the conditions were particularly favourable because the equivalences could be based on the induction of total mutations in the mouse, which is the same genetic end-point used for the assessment of radiation risks. Once established, the rad-equivalences were used (a) to extrapolate the rules adopted for radiation to each of these two compounds and (b) to make recommendations for exposed workers at 'hot spots' and for the general population. Measurements of ethylene in power plants and in the atmosphere of Paris have indicated that in most cases the measured values fall within the recommended values. However, pollution by ethylene oxide in cold sterilization units should be reduced. Rad-equivalences obtained for lethal effects, and for the induction of chromosome aberrations by formaldehyde in human cells in vitro, suggest that the maximum admissible concentrations are far too high in most countries and must be reconsidered. In France, the Ministry of Health is taking the rad-equivalences into consideration for the preparation of a law regulating pollution by ethylene and ethylene oxide - as a first step. These results show that rad-equivalences can be used for risk assessments of genotoxic effects from power plants and that decisions can be made by extrapolating the rules adopted for radiation protection to some chemical mutagens, when certain strict conditions are fulfilled.

  16. Atomic properties in hot plasmas from levels to superconfigurations

    CERN Document Server

    Bauche, Jacques; Peyrusse, Olivier

    2015-01-01

    This book is devoted to the calculation of hot-plasma properties which generally requires a huge number of atomic data. It is the first book that combines information on the details of the basic atomic physics and its application to atomic spectroscopy with the use of the relevant statistical approaches. Information like energy levels, radiative rates, collisional and radiative cross-sections, etc., must be included in equilibrium or non-equilibrium models in order to describe both the atomic-population kinetics and the radiative properties. From the very large number of levels and transitions involved in complex ions, some statistical (global) properties emerge. The book presents a coherent set of concepts and compact formulas suitable for tractable and accurate calculations. The topics addressed are: radiative emission and absorption, and a dozen of other collisional and radiative processes; transition arrays between level ensembles (configurations, superconfigurations); effective temperatures of configurat...

  17. Atomic orbital self-energy and electronegativity

    CERN Document Server

    Ribeiro, Mauro

    2016-01-01

    In this work, atomic calculations were performed within the local-density and generalized-gradient approximations of exchange and correlation density functionals within density-functional theory to provide accurate periodic trends of first ionization energies and electron affinities of the atomic series from hydrogen to xenon. Electronegativities were determined directly from Mulliken's formula and were shown to be equivalently calculated rather by using Slater-Janak's transition state or by calculating the electrostatic self-energies of the orbitals involved in the transition to ions. Finally, comparisons were made with other theoretical and experimental results, including Mulliken-Jaff\\'e's electronegativity scale.

  18. An atomic clockwork using phase dependent energy shifts

    CERN Document Server

    De Munshi, D; Mukherjee, M

    2011-01-01

    A frequency stabilized laser referenced to an unperturbed atomic two level system acts as the most accurate clock with femtosecond clock ticks. For any meaningful use, a Femtosecond Laser Frequency Comb (FLFC) is used to transfer the atomic clock accuracy to electronically countable nanosecond clock ticks. Here we propose an alternative clockwork based on the phenomenon that when an atomic system is slowly evolved in a cyclic path, the atomic energy levels gather some phase called the geometric phase. This geometric phase dependent energy shift has been used here to couple the two frequency regimes in a phase coherent manner. It has also been shown that such a technique can be implemented experimentally, bypassing the highly involved setup of a FLFC.

  19. Electromagnetically induced transparency with degenerate atomic levels

    CERN Document Server

    Reshetov, V A

    2013-01-01

    For the coherently driven \\Lambda-type three-level systems the general ready-to-calculate expression for the susceptibility tensor at the frequency of the weak probe field is obtained for the arbitrary polarization of the strong coupling laser field and arbitrary values of the angular momenta of resonant atomic levels. The dependence of the relative difference in the group velocities of the two polarization components of the probe field on the polarization of the coupling field is studied.

  20. Hardness of materials: studies at levels from atoms to crystals

    Institute of Scientific and Technical Information of China (English)

    LI KeYan; XUE DongFeng

    2009-01-01

    Based on the electron-holding energy per unit volume, we extend the concept of hardness to atomic stiffness, ionic stiffness and bond hardness, investigating the nature of material hardness at these three levels. We find that the stiffness of isolated atoms or ions has no direct connection with the hardness of materials, whereas material hardness is directly related to bond hardness, which is es-sentially determined by the electron-holding energy of its constituent chemical bonds per unit volume. We establish a model for identifying the hardness of materials on the basis of bond hardness. This work offers a deeper understanding of the nature of material hardness at the atomic level, and provides a practical guide in the search for new superhard materials.

  1. Atomic energy after Fukushima; Atomenergie nach Fukushima

    Energy Technology Data Exchange (ETDEWEB)

    Cosack, Tilman; Enders, Rainald [FH Trier, Umwelt-Campus Birkenfeld (DE). Inst. fuer das Recht der Erneuerbaren Energien, Energieeffizienzrecht und Klimaschutzrecht (IREK); Kanzlei VRT, Bonn (Germany)

    2011-11-15

    The Fukushima catastrophe caused a complete turnaround of German energy policy. The first part of this contribution investigates if the moratorium of the German government and the resulting shutdown of seven nuclear power plants on the basis of Sect. 19 No. 3 AtG was in compliance with current law. The second part discusses if the legal measures for nuclear phaseout as specified in the 13th Act to Amend the Atomic Energy Act were at all necessary.

  2. Estimation Using an Enhancement Factor on Non Local Thermodynamic Equilibrium Behavior of High-lying Energy Levels of Neutral Atom in Argon Radio-Frequency Inductively-Coupled Plasma.

    Science.gov (United States)

    Wagatsuma, Kazuaki; Satoh, Kozue

    2016-01-01

    This paper describes a plasma-diagnostic method using an enhancement factor on the Boltzmann distribution among emission lines of iron atom in an argon radio-frequency inductively-coupled plasma (ICP). It indicated that Boltzmann plots of the atomic lines having lower excitation energies (3.4 to 4.8 eV) were well fitted on a straight line while those having more than 5.5 eV deviated upwards from a linear relationship. This observation could be explained by the fact that ICP is not in a complete thermodynamic equilibrium between direct excitation to energy levels of iron atom, ionization of iron atom, and radiative decay processes to the ground state. Especially, the recombination of iron ion with captured electron should accompany cascade de-excitations between closely-spaced excited levels just below the ionization limit, the rates of which become slower as a whole; as a result, these high-lying levels might be more populated than the low-lying levels as if a different LTE condition coexists on the high energy side. This overpopulation could be quantitatively estimated using an enhancement factor (EF), which was a ratio of the observed intensity to the expected value extrapolated from the normal distribution on the low energy side. The EFs were generally small (less than 3); therefore, the cascade de-excitation process would slightly contribute to the population of these excited levels. It could be considered from variations of the EF that the overpopulation proceeded to a larger extent at lower radio-frequency forward powers, at higher flow rates of the carrier gas, or at higher observation heights. The reason for this is that the kinetic energy of energetic particles, such as electrons, becomes reduced under all of these plasma conditions, thus enabling the high-lying levels to be more populated by cascade de-excitation processes from iron ion rather than by collisional excitation processes with the energetic particles. A similar Boltzmann analysis using the EF

  3. Correlation Between Energy Transfer Rate and Atomization Energy of Some Trinitro Aromatic Explosive Molecules

    Institute of Scientific and Technical Information of China (English)

    Su-hong Ge; Xin-lu Cheng; Zheng-lai Liu; Xiang-dong Yang; Fang-fang Dong

    2008-01-01

    An assumptive theoretical relationship is suggested to describe the property of molecular atomization energy and energy transfer rate in the initiation of explosions. To investigate the relationship between atomization energy and energy transfer rate, the number of doorway modes of explosives is estimated by the theory of Dlott and Fayer in which the rate is proportional to the number of normal mode vibrations. It was evaluated frequencies of normal mode vibrations of eight molecules by means of density functional theory (DFT) at the b3p86/6-31G(d,p) level. It is found that the number of doorway modes shows a linear correlation to the atomization energies of the molecules, which were also calculated by means of the same method. A mechanism of this correlation is discussed. It is also noted that in those explosives with similar molecular structure and molecular weight, the correlation between the atomization energy and the number of doorway modes is higher.

  4. Probing Dark Energy with Atom Interferometry

    CERN Document Server

    Burrage, Clare; Hinds, E A

    2015-01-01

    Theories of dark energy require a screening mechanism to explain why the associated scalar fields do not mediate observable long range fifth forces. The archetype of this is the chameleon field. Here we show that individual atoms are too small to screen the chameleon field inside a large high-vacuum chamber, and therefore can detect the field with high sensitivity. We derive new limits on the chameleon parameters from existing experiments, and show that most of the remaining chameleon parameter space is readily accessible using atom interferometry.

  5. Controlling a d-level atom in a cavity

    Energy Technology Data Exchange (ETDEWEB)

    Keyl, Michael [TU Muenchen, Fakultaet Mathematik, 85748 Garching (Germany)

    2016-07-01

    In this talk we discuss quantum control theory for a d-level atom in a cavity. The atom is described by a Graph Γ with energy levels as vertices and edges e as allowed transitions. For each such e the atom interacts (via a Jaynes-Cummings like interaction term) with a different mode of the cavity. We consider controllability of the overall system (i.e. atom and cavity) under the assumption that all atom-cavity interactions can be switched on and off individually and that the atom itself is fully controllable. Our main tools are symmetry based arguments recently introduced for the discussion of the two-level case. The basic idea is to divide the control Hamiltonians into two sets. One which is invariant under the action of an Abelian symmetry group G and a second set which breaks this symmetry. We will discuss how the group G and its action are related to the graph Γ and its fundamental groupoid, and how these structure can be used to prove full controllability - at least if Γ is acyclic. For Graphs containing cycles the situation is more difficult and the universal covering graph has to be used. We demonstrate this, using the fully connected graph on three vertices as an example.

  6. 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'.

  7. Emission Probability of the Cascade Three-Level-Atom Mazer with Injected Atomic Coherence

    Institute of Scientific and Technical Information of China (English)

    熊锦; 张智明

    2002-01-01

    We investigate the effects of the injected atomic coherence on the atomic emission probability of the micromaser injected with ultracold cascade three-level atoms by considering that the atoms are initially in the coherent superposition states of the two upper levels. We show that there is no interference between the transitions from the two upper levels to the lowest level. In the large atom-field-detuning case, the atomic emission probability decreases as the coherent parameter increases. In the zero atom-field-detuning case, the atomic emission probability has three sets of resonance peaks. The reason for these results has been explained.

  8. About disposition of energy levels

    CERN Document Server

    Liverts, Evgeny Z

    2012-01-01

    The unique properties of central potential of the form $-\\beta e^{-r}r^{\\gamma}$ were studied using the recently developed critical parameter technique. The particular cases of $\\gamma=0$ and $\\gamma=-1$ yield, respectively, the exponential and Yukawa potentials widely used in the atomic, molecular and nuclear physics. We found different behavior of the energy levels of this potential for three different ranges of the value of $\\gamma$. For $\\gamma\\geq0$ it was found that the energy of bound states with the same principal quantum number $N$ decreases with increasing angular momentum $\\ell$. The Gaussian and Woods-Saxon potentials also show this behavior. On the contrary, for $-2\\leq\\gamma\\leq-1$ increasing $\\ell$ gives a higher energy, resembling the Hulthen potential. However, a potential with $-1<\\gamma<0$ possesses mixed properties, which give rise to several interesting results. For one, the order of energy levels with different quantum numbers is not preserved when varying the parameter $\\beta$. Th...

  9. Atomic Interferometry Test of Dark Energy

    CERN Document Server

    Brax, Philippe

    2016-01-01

    Atomic interferometry can be used to probe dark energy models coupled to matter. We consider the constraints coming from recent experimental results on models generalising the inverse power law chameleons such as $f(R)$ gravity in the large curvature regime, the environmentally dependent dilaton and symmetrons. Using the tomographic description of these models, we find that only symmetrons with masses smaller than the dark energy scale can be efficiently tested. In this regime, the resulting constraints complement the bounds from the E\\"otwash experiment and exclude small values of the symmetron self-coupling.

  10. Atomic displacement energy in amorphous compounds

    Science.gov (United States)

    Sanditov, D. S.; Mashanov, A. A.

    2016-12-01

    Atomic displacement energy Δɛe in multicomponent sheet and lead-silicate glasses is calculated from the free activation energy of a viscous flow. The value of Δɛe is shown to remain constant in a rather wide range of temperatures in the glass transition region. Satisfactory agreement with calculations of Δɛe using the current formula incorporating the glass transition temperature and the fluctuation volume fraction frozen at this temperature is obtained. The validity of the above formula not only at the glass transition temperature but also in the temperature region adjacent to it is confirmed.

  11. On the energy of electric field in hydrogen atom

    OpenAIRE

    Kornyushin, Yuri

    2009-01-01

    It is shown that hydrogen atom is a unique object in physics having negative energy of electric field, which is present in the atom. This refers also to some hydrogen-type atoms: hydrogen anti-atom, atom composed of proton and antiproton, and positronium.

  12. Atomic Mass and Nuclear Binding Energy for F-35 (Fluorine)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume A `Nuclei with Z = 1 - 54' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms'. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope F-35 (Fluorine, atomic number Z = 9, mass number A = 35).

  13. 32 CFR 2400.4 - Atomic Energy Material.

    Science.gov (United States)

    2010-07-01

    ... 32 National Defense 6 2010-07-01 2010-07-01 false Atomic Energy Material. 2400.4 Section 2400.4... General Provisions § 2400.4 Atomic Energy Material. Nothing in this Regulation supersedes any requirement made by or under the Atomic Energy act of 1954, as amended. “Restricted Data” and...

  14. Four-Parameter Scheme for Ground Level of Helium Atom

    Institute of Scientific and Technical Information of China (English)

    HU Xian-Quan; XU Jie; MA Yong; ZHENG Rui-Lun

    2006-01-01

    In this paper, the ground state wave function of four parameters is developed and the expression of the ground state level is derived for the helium atom when the radial Schrodinger equation of the helium atom is solved.The ground energy is respectively computed by the optimized algorithms of Matlab 7.0 and the Monte Carlo methods.Furthermore, the ground state wave function is obtained. Compared with the experiment value and the value with the variation calculus in reference, the results of this paper show that in the four-parameter scheme, not only the calculations become more simplified and precise, but also the radial wave function of the helium atom meets the space symmetry automatically in ground state.

  15. Atomic-Layer-Confined Doping for Atomic-Level Insights into Visible-Light Water Splitting.

    Science.gov (United States)

    Lei, Fengcai; Zhang, Lei; Sun, Yongfu; Liang, Liang; Liu, Katong; Xu, Jiaqi; Zhang, Qun; Pan, Bicai; Luo, Yi; Xie, Yi

    2015-08-03

    A model of doping confined in atomic layers is proposed for atomic-level insights into the effect of doping on photocatalysis. Co doping confined in three atomic layers of In2S3 was implemented with a lamellar hybrid intermediate strategy. Density functional calculations reveal that the introduction of Co ions brings about several new energy levels and increased density of states at the conduction band minimum, leading to sharply increased visible-light absorption and three times higher carrier concentration. Ultrafast transient absorption spectroscopy reveals that the electron transfer time of about 1.6 ps from the valence band to newly formed localized states is due to Co doping. The 25-fold increase in average recovery lifetime is believed to be responsible for the increased of electron-hole separation. The synthesized Co-doped In2S3 (three atomic layers) yield a photocurrent of 1.17 mA cm(-2) at 1.5 V vs. RHE, nearly 10 and 17 times higher than that of the perfect In2S3 (three atomic layers) and the bulk counterpart, respectively.

  16. Correlated energy transfer between two ultracold atomic species

    Science.gov (United States)

    Krönke, Sven; Knörzer, Johannes; Schmelcher, Peter

    2015-05-01

    We study a single atom as an open quantum system, which is initially prepared in a coherent state of low energy and oscillates in a one-dimensional harmonic trap through an interacting ensemble of NA bosons, held in a displaced trap [arXiv:1410.8676]. The non-equilibrium quantum dynamics of the total system is simulated by means of an ab-initio method, giving us access to all properties of the open system and its finite environment. In this talk, we focus on unraveling the interplay of energy exchange and correlations between the subsystems, which are coupled in such a spatio-temporally localized manner. We show that an inter-species interaction-induced level splitting accelerates the energy transfer between the atomic species for larger NA, which becomes less complete at the same time. System-environment correlations prove to be significant except for times when the excess energy distribution among the subsystems is highly imbalanced. These correlations result in incoherent energy transfer processes, which accelerate the early energy donation of the single atom. By analyzing correlations between intra-subsystem excitations, certain energy transfer channels are shown to be (dis-)favored depending on the instantaneous direction of transfer.

  17. Multipolar electrostatics for proteins: atom-atom electrostatic energies in crambin.

    Science.gov (United States)

    Yuan, Yongna; Mills, Matthew J L; Popelier, Paul L A

    2014-02-15

    Accurate electrostatics necessitates the use of multipole moments centered on nuclei or extra point charges centered away from the nuclei. Here, we follow the former alternative and investigate the convergence behavior of atom-atom electrostatic interactions in the pilot protein crambin. Amino acids are cut out from a Protein Data Bank structure of crambin, as single amino acids, di, or tripeptides, and are then capped with a peptide bond at each side. The atoms in the amino acids are defined through Quantum Chemical Topology (QCT) as finite volume electron density fragments. Atom-atom electrostatic energies are computed by means of a multipole expansion with regular spherical harmonics, up to a total interaction rank of L = ℓA+ ℓB + 1 = 10. The minimum internuclear distance in the convergent region of all the 15 possible types of atom-atom interactions in crambin that were calculated based on single amino acids are close to the values calculated from di and tripeptides. Values obtained at B3LYP/aug-cc-pVTZ and MP2/aug-cc-pVTZ levels are only slightly larger than those calculated at HF/6-31G(d,p) level. This convergence behavior is transferable to the well-known amyloid beta polypeptide Aβ1-42. Moreover, for a selected central atom, the influence of its neighbors on its multipole moments is investigated, and how far away this influence can be ignored is also determined. Finally, the convergence behavior of AMBER becomes closer to that of QCT with increasing internuclear distance.

  18. Atom-interferometry constraints on dark energy

    CERN Document Server

    Hamilton, Paul; Haslinger, Philipp; Simmons, Quinn; Müller, Holger; Khoury, Justin

    2015-01-01

    If dark energy---which drives the accelerated expansion of the universe---consists of a new light scalar field, it might be detectable as a "fifth force" between normal-matter objects, in potential conflict with precision tests of gravity. There has, however, been much theoretical progress in developing theories with screening mechanisms, which can evade detection by suppressing forces in regions of high density, such as the laboratory. One prominent example is the chameleon field. We reduce the effect of this screening mechanism by probing the chameleon with individual atoms rather than bulk matter. Using a cesium matter-wave interferometer near a spherical mass in an ultra-high vacuum chamber, we constrain a wide class of dynamical dark energy theories. Our experiment excludes a range of chameleon theories that reproduce the observed cosmic acceleration.

  19. Atomic-level imaging, processing and characterization of semiconductor surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kazmerski, L.L.

    1995-08-22

    A method for selecting and removing single specific atoms from a solid material surface uses photon biasing to break down bonds that hold the selected atom in the lattice and to reduce barrier effects that hold the atom from transferring to a probe. The photon bias is preferably light or other electromagnetic radiation with a wavelength and frequency that approximately matches the wave function of the target atom species to be removed to induce high energy, selective thermionic-like vibration. An electric field potential is then applied between the probe and the surface of the solid material to pull the atom out of the lattice and to transfer the atom to the probe. Different extrinsic atoms can be installed in the lattice sites that are vacated by the removed atoms by using a photon bias that resonates the extrinsic atom species, reversing polarity of the electric field, and blowing gas comprising the extrinsic atoms through a hollow catheter probe. 8 figs.

  20. Atomic-level imaging, processing and characterization of semiconductor surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kazmerski, Lawrence L. (Lakewood, CO)

    1995-01-01

    A method for selecting and removing single specific atoms from a solid material surface uses photon biasing to break down bonds that hold the selected atom in the lattice and to reduce barrier effects that hold the atom from transferring to a probe. The photon bias is preferably light or other electromagnetic radiation with a wavelength and frequency that approximately matches the wave function of the target atom species to be removed to induce high energy, selective thermionic-like vibration. An electric field potential is then applied between the probe and the surface of the solid material to pull the atom out of the lattice and to transfer the atom to the probe. Different extrinsic atoms can be installed in the lattice sites that are vacated by the removed atoms by using a photon bias that resonates the extrinsic atom species, reversing polarity of the electric field, and blowing gas comprising the extrinsic atoms through a hollow catheter probe.

  1. Radiation Rate of a Two-Level Atom in a Spacetime with a Reflecting Boundary

    Institute of Scientific and Technical Information of China (English)

    LU Shi-Zhuan; YU Hong-Wei

    2005-01-01

    @@ We study a two-level atom in interaction with a real massless scalar quantum field in a spacetime with a reflecting boundary. We calculate the rate of change of the atomic energy for the atom. The presence of the boundary modifies the quantum fluctuations of the scalar field, which in turn modifies the rate of change of the atomic energy.It is found that the modifications induced by the presence of a boundary make the spontaneous radiation rate of an excited atom to oscillate near the boundary and this oscillatory behaviour may offer a possible opportunity for experimental tests for geometrical (boundary) effects in flat spacetime.

  2. Atom-Interferometry Constraints on Dark Energy

    Science.gov (United States)

    Mueller, Holger

    2016-03-01

    If dark energy is a light scalar field, it might interact with normal matter. The interactions, however, are suppressed in some leading models, which are thus compatible with current cosmological observations as well as solar-system and laboratory studies. Such suppression typically relies on the scalar's interaction with macroscopic amounts of ordinary matter, but can be bypassed by studying the interaction with individual particles. Using an atom interferometer, we have placed tight constraints on so-called chameleon models, ruling out interaction parameters βM > 4 ×104 . This limit is improved by 2.5 orders of magnitude relative to previous experiments. We have already increased the sensitivity of our interferometer hundredfold and are expecting a new constraint soon. Purpose-built experiments in the lab or on the international space station will completely close the gap and rule out out chameleons and other theories, such as axions, dark photons, symmetrons or f (R) gravity.

  3. Atomic Mass and Nuclear Binding Energy for Po-269 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-269 (Polonium, atomic number Z = 84, mass number A = 269).

  4. Atomic Mass and Nuclear Binding Energy for Po-278 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-278 (Polonium, atomic number Z = 84, mass number A = 278).

  5. Atomic Mass and Nuclear Binding Energy for Po-282 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-282 (Polonium, atomic number Z = 84, mass number A = 282).

  6. Atomic Mass and Nuclear Binding Energy for Po-271 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-271 (Polonium, atomic number Z = 84, mass number A = 271).

  7. Atomic Mass and Nuclear Binding Energy for Po-283 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-283 (Polonium, atomic number Z = 84, mass number A = 283).

  8. Atomic Mass and Nuclear Binding Energy for Po-281 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-281 (Polonium, atomic number Z = 84, mass number A = 281).

  9. Atomic Mass and Nuclear Binding Energy for Po-284 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-284 (Polonium, atomic number Z = 84, mass number A = 284).

  10. Atomic Mass and Nuclear Binding Energy for Po-280 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-280 (Polonium, atomic number Z = 84, mass number A = 280).

  11. Atomic Mass and Nuclear Binding Energy for Po-272 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-272 (Polonium, atomic number Z = 84, mass number A = 272).

  12. Atomic Mass and Nuclear Binding Energy for Po-276 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-276 (Polonium, atomic number Z = 84, mass number A = 276).

  13. Atomic Mass and Nuclear Binding Energy for Po-277 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-277 (Polonium, atomic number Z = 84, mass number A = 277).

  14. Atomic Mass and Nuclear Binding Energy for Po-275 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-275 (Polonium, atomic number Z = 84, mass number A = 275).

  15. Atomic Mass and Nuclear Binding Energy for Po-273 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-273 (Polonium, atomic number Z = 84, mass number A = 273).

  16. Atomic Mass and Nuclear Binding Energy for Po-274 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-274 (Polonium, atomic number Z = 84, mass number A = 274).

  17. Atomic Mass and Nuclear Binding Energy for Po-270 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-270 (Polonium, atomic number Z = 84, mass number A = 270).

  18. Atomic Mass and Nuclear Binding Energy for Po-279 (Polonium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Po-279 (Polonium, atomic number Z = 84, mass number A = 279).

  19. Atomic Mass and Nuclear Binding Energy for Ra-226 (Radium)

    Science.gov (United States)

    Sukhoruchkin, S. I.; Soroko, Z. N.

    This document is part of the Supplement containing the complete sets of data of Subvolume B `Nuclei with Z = 55 - 100' of Volume 22 `Nuclear Binding Energies and Atomic Masses' of Landolt-Börnstein - Group I `Elementary Particles, Nuclei and Atoms', and additionally including data for nuclei with Z = 101 - 130. It provides atomic mass, mass excess, nuclear binding energy, nucleon separation energies, Q-values, and nucleon residual interaction parameters for atomic nuclei of the isotope Ra-226 (Radium, atomic number Z = 88, mass number A = 226).

  20. Energy shift of H-atom electrons due to Gibbons-Hawking thermal bath

    CERN Document Server

    Pardy, Miroslav

    2016-01-01

    The electromagnetic shift of energy levels of H-atom electrons is determined by calculating an electron coupling to the Gibbons-Hawking electromagnetic field thermal bath. Energy shift of electrons in H-atom is determined in the framework of the non-relativistic quantum mechanics.

  1. A liquid drop model for embedded atom method cluster energies

    Science.gov (United States)

    Finley, C. W.; Abel, P. B.; Ferrante, J.

    1996-01-01

    Minimum energy configurations for homonuclear clusters containing from two to twenty-two atoms of six metals, Ag, Au, Cu, Ni, Pd, and Pt have been calculated using the Embedded Atom Method (EAM). The average energy per atom as a function of cluster size has been fit to a liquid drop model, giving estimates of the surface and curvature energies. The liquid drop model gives a good representation of the relationship between average energy and cluster size. As a test the resulting surface energies are compared to EAM surface energy calculations for various low-index crystal faces with reasonable agreement.

  2. Determination of Atomic Data Pertinent to the Fusion Energy Program

    Energy Technology Data Exchange (ETDEWEB)

    Reader, J.

    2013-06-11

    We summarize progress that has been made on the determination of atomic data pertinent to the fusion energy program. Work is reported on the identification of spectral lines of impurity ions, spectroscopic data assessment and compilations, expansion and upgrade of the NIST atomic databases, collision and spectroscopy experiments with highly charged ions on EBIT, and atomic structure calculations and modeling of plasma spectra.

  3. Solar and Geothermal Energy: New Competition for the Atom

    Science.gov (United States)

    Carter, Luther J.

    1974-01-01

    Describes new emphasis on research into solar and geothermal energy resources by governmental action and recent legislation and the decreased emphasis on atomic power in supplementing current energy shortages. (BR)

  4. Solar and Geothermal Energy: New Competition for the Atom

    Science.gov (United States)

    Carter, Luther J.

    1974-01-01

    Describes new emphasis on research into solar and geothermal energy resources by governmental action and recent legislation and the decreased emphasis on atomic power in supplementing current energy shortages. (BR)

  5. Energy levels of 56Mn

    DEFF Research Database (Denmark)

    Van Assche, P. H. M.; Baader, H. A.; Koch, H. R.

    1971-01-01

    The low-energy spectrum of the 55Mn(n,γ)56 Mn reaction has been studied with a γ-diffraction spectrometer. These data allowed the construction of a level scheme for 56Mn with two previously unobserved doublets. High-energy γ-transitions to the low-energy states have been measured for different...

  6. Analytic Solutions of Three-Level Dressed-Atom Model

    Institute of Scientific and Technical Information of China (English)

    WANG Zheng-Ling; YIN Jian-Ping

    2004-01-01

    On the basis of the dressed-atom model, the general analytic expressions for the eigenenergies, eigenstates and their optical potentials of the A-configuration three-level atom system are derived and analysed. From the calculation of dipole matrix element of different dressed states, we obtain the spontaneous-emission rates in the dressed-atom picture. We find that our general expressions of optical potentials for the three-level dressed atom can be reduced to the same as ones in previous references under the approximation of a small saturation parameter. We also analyse the dependences of the optical potentials of a three-level 85Rb atom on the laser detuning and the dependences of spontaneous-emission rates on the radial position in the dark hollow beam, and discuss the probability (population) evolutions of dressed-atomic eigenstates in three levels in the hollow beam.

  7. Books on Atomic Energy for Adults and Children

    Energy Technology Data Exchange (ETDEWEB)

    None

    1969-01-01

    This booklet contains two lists of atomic energy books, one for students and one for adults. The student list has grade annotations. The lists are not all-inclusive but comprise selected basic books on atomic energy and closely related subjects.

  8. 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.

  9. Positronium-alkali atom scattering at medium energies

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, Ajoy [Laban Hrad Vidyapith, AD-369, Salt Lake City, Kolkata 700 064 (India); Basu, Arindam [Department of Physics, Maheshtala College, Chandannagar, South 24 Parganas, Kolkata 700 140 (India); Sarkar, Nirmal K [Sodepur Chandrachur Vidyapith, 1, Desh Bandhu Nagar, Sodepur, 743 174 (India); Sinha, Prabal K [Department of Physics, Bangabasi College, 19, Raj Kumar Chakravorty Sarani, Kolkata 700 009 (India)

    2004-04-28

    We investigate the scattering of orthopositronium (o-Ps) atom off different atomic alkali targets (Na to Cs) at low and medium energies (up to 120 eV). Projectile-elastic and target-elastic close-coupling models have been employed to investigate the systems in addition to the static-exchange model. Elastic, excitation and total cross sections have been reported for all four systems. The magnitude of the alkali excitation cross section increases with increasing atomic number of the target atom while the position of the peak value shifts towards lower incident energies. The magnitudes of the Ps excitation and ionization cross sections increase steadily with atomic number with no change in the peak position. The reported results show regular behaviour with increasing atomic number of the target atom. Scattering parameters for the Ps-Rb and Ps-Cs systems are being reported for the first time.

  10. Energy spectrum of fermionized bosonic atoms in optical lattices

    Institute of Scientific and Technical Information of China (English)

    Jiurong Han; Haichao Zhang; Yuzhu Wang

    2005-01-01

    We investigate the energy spectrum of fermionized bosonic atoms, which behave very much like spinless noninteracting fermions, in optical lattices by means of the perturbation expansion and the retarded Green's function method. The results show that the energy spectrum splits into two energy bands with single-occupation; the fermionized bosonic atom occupies nonvanishing energy state and left hole has a vanishing energy at any given momentum, and the system is in Mott-insulating state with a energy gap.Using the characteristic of energy spectra we obtained a criterion with which one can judge whether the Tonks-Girardeau (TG) gas is achieved or not.

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

    DEFF Research Database (Denmark)

    Gajdacz, M.; Hilliard, A. J.; Kristensen, Matias Ammitzbøll

    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....

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

    DEFF Research Database (Denmark)

    Gajdacz, M.; Hilliard, A. J.; Kristensen, Matias Ammitzbøll

    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....

  13. 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.)

  14. Experimental level densities of atomic nuclei

    CERN Document Server

    Guttormsen, M; Garrote, F L Bello; Bernstein, L A; Bleuel, D L; Byun, Y; Ducasse, Q; Eriksen, T K; Giacoppo, F; Görgen, A; Gunsing, F; Hagen, T W; Jurado, B; Klintefjord, M; Larsen, A C; Lebois, L; Leniau, B; Nyhus, H T; Renstrøm, T; Rose, S J; Sahin, E; Siem, S; Tornyi, T G; Tveten, G M; Voinov, A; Wiedeking, M; Wilson, J

    2015-01-01

    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.

  15. Automated drawing system of quantum energy levels

    Science.gov (United States)

    Stampoultzis, M.; Sinatkas, J.; Tsakstara, V.; Kosmas, T. S.

    2014-03-01

    The purpose of this work is to derive an automated system that provides advantageous drawings of energy spectra for quantum systems (nuclei, atoms, molecules, etc.) required in various physical sciences. The automation involves the development of appropriate computational code and graphical imaging system based on raw data insertion, theoretical calculations and experimental or bibliographic data insertion. The system determines the appropriate scale to depict graphically with the best possible way in the available space. The presently developed code operates locally and the results are displayed on the screen and can be exported to a PostScript file. We note its main features to arrange and visualize in the available space the energy levels with their identity, taking care the existence in the final diagram the least auxiliary deviations. Future improvements can be the use of Java and the availability on the Internet. The work involves the automated plotting of energy levels in molecules, atoms, nuclei and other types of quantized energy spectra. The automation involves the development of an appropriate computational code and graphical imaging system.

  16. Atomic-Level Sculpting of Crystalline Oxides: Toward Bulk Nanofabrication with Single Atomic Plane Precision.

    Science.gov (United States)

    Jesse, Stephen; He, Qian; Lupini, Andrew R; Leonard, Donovan N; Oxley, Mark P; Ovchinnikov, Oleg; Unocic, Raymond R; Tselev, Alexander; Fuentes-Cabrera, Miguel; Sumpter, Bobby G; Pennycook, Stephen J; Kalinin, Sergei V; Borisevich, Albina Y

    2015-11-25

    The atomic-level sculpting of 3D crystalline oxide nanostructures from metastable amorphous films in a scanning transmission electron microscope (STEM) is demonstrated. Strontium titanate nanostructures grow epitaxially from the crystalline substrate following the beam path. This method can be used for fabricating crystalline structures as small as 1-2 nm and the process can be observed in situ with atomic resolution. The fabrication of arbitrary shape structures via control of the position and scan speed of the electron beam is further demonstrated. Combined with broad availability of the atomic resolved electron microscopy platforms, these observations suggest the feasibility of large scale implementation of bulk atomic-level fabrication as a new enabling tool of nanoscience and technology, providing a bottom-up, atomic-level complement to 3D printing.

  17. Accelerated Multi-Level Atoms in an Electromagnetic Vacuum and Fulling-Davies-Unruh Effect

    Institute of Scientific and Technical Information of China (English)

    ZHU Zhi-Ying; YU Hong-Wei

    2008-01-01

    We consider,from the point of view of a coaccelerated frame,a uniformly accelerated multi-level atom in interaction with vacuum quantum electromagnetic fields in the multi-polar coupling scheme,and calculate the rate of change of the atom's energy assuming a thermal bath at a finite temperature T in the Rindler wedge.Comparison with the spontaneous excitation rate of the atom calculated in the instantaneous inertial frame of the atom shows that both the inertial and coaccelerated observer would agree with each other only when the temperature of the thermal bath equals the FDU value TFDV = a/2π.

  18. Streaming current of a rotary atomizer for energy harvesting

    NARCIS (Netherlands)

    Nguyen, Trieu; de Boer, Hans L.; Tran, T.; van den Berg, Albert; Eijkel, Jan C.T.; Zengerle, R.

    2013-01-01

    We present the experimental results of an energy conversion system based on a rotary atomizer and the streaming current phenomenon. The advantage of using a rotary atomizer instead of a channel or membrane micropore as in conventional pressure-driven approached is that the centrifugal force exerted

  19. Streaming current of a rotary atomizer for energy harvesting

    NARCIS (Netherlands)

    Nguyen, Trieu; Boer, de H.; Tran, T.; Berg, van den A.; Eijkel, J.C.T.; Zengerle, R.

    2013-01-01

    We present the experimental results of an energy conversion system based on a rotary atomizer and the streaming current phenomenon. The advantage of using a rotary atomizer instead of a channel or membrane micropore as in conventional pressure-driven approached is that the centrifugal force exerted

  20. Energy scaling of cold atom-atom-ion three-body recombination

    CERN Document Server

    Krükow, Artjom; Härter, Arne; Denschlag, Johannes Hecker; Pérez-Ríos, Jesús; Greene, Chris H

    2015-01-01

    We study three-body recombination of Ba$^+$ + Rb + Rb in the mK regime where a single $^{138}$Ba$^{+}$ ion in a Paul trap is immersed into a cloud of ultracold $^{87}$Rb atoms. We measure the energy dependence of the three-body rate coefficient $k_3$ and compare the results to the theoretical prediction, $k_3 \\propto E_{\\textrm{col}}^{-3/4}$ where $E_{\\textrm{col}}$ is the collision energy. We find agreement if we assume that the non-thermal ion energy distribution is determined by at least two different micro-motion induced energy scales. Furthermore, using classical trajectory calculations we predict how the median binding energy of the formed molecules scales with the collision energy. Our studies give new insights into the kinetics of an ion immersed into an ultracold atom cloud and yield important prospects for atom-ion experiments targeting the s-wave regime.

  1. Single-atom electron energy loss spectroscopy of light elements

    National Research Council Canada - National Science Library

    Senga, Ryosuke; Suenaga, Kazu

    2015-01-01

    ... scattering power and higher knock-on probability. Here we propose a concept for detecting light atoms encaged in a nanospace by means of electron energy loss spectroscopy using inelastically scattered electrons...

  2. Tomography vs quantum control for a three-level atom

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar, O. [Departamento de Fisica, Universidad de Guadalajara, Revolucion 1500, 44420 Guadalajara, Jalisco (Mexico)]. E-mail: caronte30@yahoo.com; Klimov, A.B. [Departamento de Fisica, Universidad de Guadalajara, Revolucion 1500, 44420 Guadalajara, Jalisco (Mexico); Guise, Hubert de [Department of Physics, Lakehead University, Thunder Bay, Ontario P7B 5E1 (Canada)

    2006-12-04

    We investigate the possibilities of controlling and reconstructing the state of a single three-level atom. We propose a physical scheme where information about the atomic state is extracted by measuring the total number of excitations after successive application of electromagnetic field pulses. We show that, in the non-degenerate case (different transition frequencies for different atomic transitions), a three-level atom is completely controllable and its state can be completely reconstructed. In the degenerate case (when both atomic transitions are identical), we consider two dynamically inequivalent configurations, {lambda} and {xi}. In this case, we show that the density matrix can always be completely reconstructed whereas their respective system cannot be completely controlled. We explain why this last incompatibility between control and tomography arises.

  3. Atomic layer confined vacancies for atomic-level insights into carbon dioxide electroreduction

    Science.gov (United States)

    Gao, Shan; Sun, Zhongti; Liu, Wei; Jiao, Xingchen; Zu, Xiaolong; Hu, Qitao; Sun, Yongfu; Yao, Tao; Zhang, Wenhua; Wei, Shiqiang; Xie, Yi

    2017-01-01

    The role of oxygen vacancies in carbon dioxide electroreduction remains somewhat unclear. Here we construct a model of oxygen vacancies confined in atomic layer, taking the synthetic oxygen-deficient cobalt oxide single-unit-cell layers as an example. Density functional theory calculations demonstrate the main defect is the oxygen(II) vacancy, while X-ray absorption fine structure spectroscopy reveals their distinct oxygen vacancy concentrations. Proton transfer is theoretically/experimentally demonstrated to be a rate-limiting step, while energy calculations unveil that the presence of oxygen(II) vacancies lower the rate-limiting activation barrier from 0.51 to 0.40 eV via stabilizing the formate anion radical intermediate, confirmed by the lowered onset potential from 0.81 to 0.78 V and decreased Tafel slope from 48 to 37 mV dec−1. Hence, vacancy-rich cobalt oxide single-unit-cell layers exhibit current densities of 2.7 mA cm−2 with ca. 85% formate selectivity during 40-h tests. This work establishes a clear atomic-level correlation between oxygen vacancies and carbon dioxide electroreduction. PMID:28220847

  4. Atomic layer confined vacancies for atomic-level insights into carbon dioxide electroreduction

    Science.gov (United States)

    Gao, Shan; Sun, Zhongti; Liu, Wei; Jiao, Xingchen; Zu, Xiaolong; Hu, Qitao; Sun, Yongfu; Yao, Tao; Zhang, Wenhua; Wei, Shiqiang; Xie, Yi

    2017-02-01

    The role of oxygen vacancies in carbon dioxide electroreduction remains somewhat unclear. Here we construct a model of oxygen vacancies confined in atomic layer, taking the synthetic oxygen-deficient cobalt oxide single-unit-cell layers as an example. Density functional theory calculations demonstrate the main defect is the oxygen(II) vacancy, while X-ray absorption fine structure spectroscopy reveals their distinct oxygen vacancy concentrations. Proton transfer is theoretically/experimentally demonstrated to be a rate-limiting step, while energy calculations unveil that the presence of oxygen(II) vacancies lower the rate-limiting activation barrier from 0.51 to 0.40 eV via stabilizing the formate anion radical intermediate, confirmed by the lowered onset potential from 0.81 to 0.78 V and decreased Tafel slope from 48 to 37 mV dec-1. Hence, vacancy-rich cobalt oxide single-unit-cell layers exhibit current densities of 2.7 mA cm-2 with ca. 85% formate selectivity during 40-h tests. This work establishes a clear atomic-level correlation between oxygen vacancies and carbon dioxide electroreduction.

  5. Deep level anomalies in silicon doped with radioactive Au atoms

    CERN Document Server

    Bollmann, J; Henry, M O; McGlynn, E; Knack, S

    1999-01-01

    DLTS investigations on n- and p-type silicon samples implanted with various radioactive Hg isotopes which decay fully or partly through the series Au/Pt/(Ir) are reported. The deep Au-donor level at E/sub v/+0.374(3) eV is observed in all cases. In p-type silicon its energy differs significantly (E/sub v/+0.438(3) eV). Both Au and Pt are found to produce two acceptor levels in n-type material. An additional donor-like level at E/sub v/+0.499(4) eV is shown to be due to Au. In all detected levels, one atom of Au or Pt is involved and the concentration decreases towards crystal surface. A key result is that, despite the presence of the Au donor in the samples, for all decay series involving Au to Pt conversion we have never observed the appearance of the Pt-donor. (6 refs).

  6. Atomic-level level dislocation dynamics in irradiated metals

    Energy Technology Data Exchange (ETDEWEB)

    Osetskiy, Yury N [ORNL; Bacon, David J [University of Liverpool, UK

    2015-01-01

    Primary damage and microstructure evolution in structural nuclear materials operating under conditions of a high flux of energetic atomic particles and high temperature and stress lead to formation of a high concentration, non-homogeneous distribution of defect clusters in the form of dislocation loops, voids, gas-filled bubbles and radiation-induced precipitates of nanometer scale. They cause changes in many material properties. Being obstacles to dislocation glide, they strongly affect mechanical properties in particular. This gives rise to an increase in yield and flow stress and a reduction in ductility. Atomic-scale computer simulation can provide details of how these effects are influenced by obstacle structure, applied stress, strain rate and temperature. Processes such as obstacle cutting, transformation, absorption and drag are observed. Some recent results for body-centered and face-centered cubic metals are described in this review and, where appropriate, comparisons drawn with predictions based on elasticity theory of crystal defects.

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

    Science.gov (United States)

    Gajdacz, M; Hilliard, A J; Kristensen, M A; Pedersen, P L; Klempt, C; Arlt, J J; Sherson, J F

    2016-08-12

    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., ΔNatom 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.

  8. Preparation of ultracold atom clouds at the shot noise level

    CERN Document Server

    Gajdacz, Miroslav; Kristensen, Mick A; Pedersen, Poul L; Klempt, Carsten; Arlt, Jan J; Sherson, Jacob F

    2016-01-01

    We prepare number stabilized ultracold clouds through the real-time analysis of non-destructive images and the application of feedback. In our experiments, the atom number ${N\\sim10^6}$ is determined by high precision Faraday imaging with uncertainty $\\Delta N$ below the shot noise level, i.e., $\\Delta N <\\sqrt{N}$. Based 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.

  9. Single-atom electron energy loss spectroscopy of light elements

    Science.gov (United States)

    Senga, Ryosuke; Suenaga, Kazu

    2015-01-01

    Light elements such as alkali metal (lithium, sodium) or halogen (fluorine, chlorine) are present in various substances and indeed play significant roles in our life. Although atomic behaviours of these elements are often a key to resolve chemical or biological activities, they are hardly visible in transmission electron microscope because of their smaller scattering power and higher knock-on probability. Here we propose a concept for detecting light atoms encaged in a nanospace by means of electron energy loss spectroscopy using inelastically scattered electrons. In this method, we demonstrate the single-atom detection of lithium, fluorine, sodium and chlorine with near-atomic precision, which is limited by the incident probe size, signal delocalization and atomic movement in nanospace. Moreover, chemical shifts of lithium K-edge have been successfully identified with various atomic configurations in one-dimensional lithium compounds. PMID:26228378

  10. Single-atom electron energy loss spectroscopy of light elements.

    Science.gov (United States)

    Senga, Ryosuke; Suenaga, Kazu

    2015-07-31

    Light elements such as alkali metal (lithium, sodium) or halogen (fluorine, chlorine) are present in various substances and indeed play significant roles in our life. Although atomic behaviours of these elements are often a key to resolve chemical or biological activities, they are hardly visible in transmission electron microscope because of their smaller scattering power and higher knock-on probability. Here we propose a concept for detecting light atoms encaged in a nanospace by means of electron energy loss spectroscopy using inelastically scattered electrons. In this method, we demonstrate the single-atom detection of lithium, fluorine, sodium and chlorine with near-atomic precision, which is limited by the incident probe size, signal delocalization and atomic movement in nanospace. Moreover, chemical shifts of lithium K-edge have been successfully identified with various atomic configurations in one-dimensional lithium compounds.

  11. Determination of Surface Exciton Energies by Velocity Resolved Atomic Desorption

    Energy Technology Data Exchange (ETDEWEB)

    Hess, Wayne P.; Joly, Alan G.; Beck, Kenneth M.; Sushko, Petr V.; Shluger, Alexander L.

    2004-08-20

    We have developed a new method for determining surface exciton band energies in alkali halides based on velocity-resolved atomic desorption (VRAD). Using this new method, we predict the surface exciton energies for K1, KBr, KC1, and NaC1 within +0.15 eV. Our data, combined with the available EELS data for alkali fluorides, demonstrate a universal linear correlation with the inverse inter-atomic distance in these materials. The results suggest that surface excitons exist in all alkali halides and their excitation energies can be predicted from the known bulk exciton energies and the obtained correlation plot.

  12. An informational approach about energy and temperature in atoms

    Science.gov (United States)

    Flores-Gallegos, N.

    2016-08-01

    In this letter, we introduce new definitions of energy and temperature based on the information theory model, and we show that our definition of informational energy is related to the kinetic energy of the Thomas-Fermi model, meanwhile the definition of informational temperature proposed, permit identify 'hot' and 'cold' zones of an atom, such zones are related to the changes in the local electron energy wherein the chemical and physical changes can occur; informational temperature also can reproduce the shell structure of an atom.

  13. Spontaneously induced atom-radiation entanglement in an ensemble of two-level atoms

    OpenAIRE

    Tesfa, Sintayehu

    2007-01-01

    Analysis of the spontaneously induced correlation on atom-radiation entanglement in an ensemble of two-level atoms initially prepared in the upper level and placed in a cavity containing a squeezed radiation employing the method of evaluating the coherent-state propagator is presented. It is found that the cavity radiation exhibits squeezing which is directly attributed to the squeezed radiation in the cavity. The intensity of the cavity radiation increases with the squeeze parameter and inte...

  14. Two atoms scattering at low and cold energies

    Indian Academy of Sciences (India)

    Hasi Ray

    2014-12-01

    A modified static-exchange model is developed to study the collision of an atom with another atom. It includes the effect of long-range dipole–dipole van der Waals interaction between two atoms in addition to the exact effect of short-range force due to Coulomb exchange between two system electrons. Both these interactions dominate at colder energies. The system is treated as a four-centre problem in the centre-of-mass frame. The present ab-initio model is useful to study the two-atomic collisions at low energies, as well as cold energies. The new code is applied to study the scattering of positronium (Ps) by hydrogen (H), both in their ground states.

  15. 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.

  16. Chameleon dark energy and atom interferometry

    Science.gov (United States)

    Elder, Benjamin; Khoury, Justin; Haslinger, Philipp; Jaffe, Matt; Müller, Holger; Hamilton, Paul

    2016-08-01

    Atom interferometry experiments are searching for evidence of chameleon scalar fields with ever-increasing precision. As experiments become more precise, so too must theoretical predictions. Previous work has made numerous approximations to simplify the calculation, which in general requires solving a three-dimensional nonlinear partial differential equation. This paper calculates the chameleonic force using a numerical relaxation scheme on a uniform grid. This technique is more general than previous work, which assumed spherical symmetry to reduce the partial differential equation to a one-dimensional ordinary differential equation. We examine the effects of approximations made in previous efforts on this subject and calculate the chameleonic force in a setup that closely mimics the recent experiment of Hamilton et al. Specifically, we simulate the vacuum chamber as a cylinder with dimensions matching those of the experiment, taking into account the backreaction of the source mass, its offset from the center, and the effects of the chamber walls. Remarkably, the acceleration on a test atomic particle is found to differ by only 20% from the approximate analytical treatment. These results allow us to place rigorous constraints on the parameter space of chameleon field theories, although ultimately the constraint we find is the same as the one we reported in Hamilton et al. because we had slightly underestimated the size of the vacuum chamber. This computational technique will continue to be useful as experiments become even more precise and will also be a valuable tool in optimizing future searches for chameleon fields and related theories.

  17. Chameleon Dark Energy and Atom Interferometry

    CERN Document Server

    Elder, Benjamin; Haslinger, Philipp; Jaffe, Matt; Müller, Holger; Hamilton, Paul

    2016-01-01

    Atom interferometry experiments are searching for evidence of chameleon scalar fields with ever-increasing precision. As experiments become more precise, so too must theoretical predictions. Previous work has made numerous approximations to simplify the calculation, which in general requires solving a 3-dimensional nonlinear partial differential equation (PDE). In this paper, we introduce a new technique for calculating the chameleonic force, using a numerical relaxation scheme on a uniform grid. This technique is more general than previous work, which assumed spherical symmetry to reduce the PDE to a 1-dimensional ordinary differential equation (ODE). We examine the effects of approximations made in previous efforts on this subject, and calculate the chameleonic force in a set-up that closely mimics the recent experiment of Hamilton et al. Specifically, we simulate the vacuum chamber as a cylinder with dimensions matching those of the experiment, taking into account the backreaction of the source mass, its o...

  18. Positron impact ionization of atomic hydrogen at low energies

    Indian Academy of Sciences (India)

    K Chakrabarti

    2001-04-01

    Low energy positron impact ionization of atomic hydrogen is studies theoretically using the hyperspherical partial wave method of Das [1] in constant 12, equal energy sharing geometry. The TDCS reveal considerable differences in physics compared to electron impact ionization under the same geometry.

  19. Energy Levels of Highly Ionized Ar ⅩⅣ

    Institute of Scientific and Technical Information of China (English)

    CHENG Zhang; LI Ping; DENG Xiao-Hui

    2006-01-01

    With the Breit interaction and quantum electrodynamics corrections considered, relativistic configuration interaction calculations have been carried out in the extended optimal level scheme using multi-configuration Dirac-Fock wave functions on the 204 energy levels and electric dipole transitions of Ar ⅩⅣ. The results of electric dipole transitions are in good agreement with experiments. Among the energy levels calculated, the lowest 125 levels are in good agreement with available experimental and other theoretical ones, and the other 79 levels are new ones obtained by the present work. This wide range of atomic energy levels is useful in astrophysics and plasma physics.

  20. 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.

  1. General engineering ethics and multiple stress of atomic energy engineering

    Energy Technology Data Exchange (ETDEWEB)

    Takeda, Kunihiko [Shibaura Inst. of Tech., Tokyo (Japan)

    1999-08-01

    The factors, by which the modern engineering ethics has been profoundly affected, were classified to three categories, namely mental blow, the destruction of human function and environment damage. The role of atomic energy engineering in the ethic field has been shown in the first place. It is pointed out that it has brought about the mental blow by the elucidation of universal truth and discipline and the functional disorder by the power supply. However, the direct effect of radiation to the human kinds is only a part of the stresses comparing to the accumulation of the social stress which should be taken into account of by the possibility of disaster and the suspicion of the atomic energy politics. An increase in the multiple stresses as well as the restriction of criticism will place obstacles on the promotion of atomic energy. (author)

  2. Cooling and trapping of three-level atoms in a bichromatic standing wave

    Science.gov (United States)

    Pu, H.; Cai, T.; Bigelow, N. P.; Grove, T. T.; Gould, P. L.

    1995-02-01

    We show that a three-level atom in the cascade configuration can be stably trapped and cooled in one dimension by an intense bichromatic standing wave. At the two-photon resonance, rectified dipole forces result in a deep potential well which can be used to localize the atoms in space. In the vicinity of the rectified potential minimum, the spatial dependence of the dressed state energies can lead to a velocity dependence of the force which produces damping of the atomic motion. Consideration of the heating effects of momentum diffusion indicates that cooling and stable trapping at low temperatures is possible in such a bichromatic field.

  3. Automatic generation of reaction energy databases from highly accurate atomization energy benchmark sets.

    Science.gov (United States)

    Margraf, Johannes T; Ranasinghe, Duminda S; Bartlett, Rodney J

    2017-03-31

    In this contribution, we discuss how reaction energy benchmark sets can automatically be created from arbitrary atomization energy databases. As an example, over 11 000 reaction energies derived from the W4-11 database, as well as some relevant subsets are reported. Importantly, there is only very modest computational overhead involved in computing >11 000 reaction energies compared to 140 atomization energies, since the rate-determining step for either benchmark is performing the same 140 quantum chemical calculations. The performance of commonly used electronic structure methods for the new database is analyzed. This allows investigating the relationship between the performances for atomization and reaction energy benchmarks based on an identical set of molecules. The atomization energy is found to be a weak predictor for the overall usefulness of a method. The performance of density functional approximations in light of the number of empirically optimized parameters used in their design is also discussed.

  4. Non-contact atomic-level interfacial force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Houston, J.E.; Fleming, J.G.

    1997-02-01

    The scanning force microscopies (notably the Atomic Force Microscope--AFM), because of their applicability to nearly all materials, are presently the most widely used of the scanning-probe techniques. However, the AFM uses a deflection sensor to measure sample/probe forces which suffers from an inherent mechanical instability that occurs when the rate of change of the force with respect to the interfacial separation becomes equal to the spring constant of the deflecting member. This instability dramatically limits the breadth of applicability of AFM-type techniques to materials problems. In the course of implementing a DOE sponsored basic research program in interfacial adhesion, a self-balancing force sensor concept has been developed and incorporated into an Interfacial Force Microscopy (IFM) system by Sandia scientists. This sensor eliminates the instability problem and greatly enhances the applicability of the scanning force-probe technique to a broader range of materials and materials parameters. The impact of this Sandia development was recognized in 1993 by a Department of Energy award for potential impact on DOE programs and by an R and D 100 award for one of the most important new products of 1994. However, in its present stage of development, the IFM is strictly a research-level tool and a CRADA was initiated in order to bring this sensor technology into wide-spread availability by making it accessible in the form of a commercial instrument. The present report described the goals, approach and results of this CRADA effort.

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

    Energy Technology Data Exchange (ETDEWEB)

    Busch, Th [Physics Department, University College Cork, Cork (Ireland); Deasy, K [Photonics Centre, Tyndall National Institute, Prospect Row, Cork (Ireland); Chormaic, S Nic [Physics Department, University College Cork, Cork (Ireland)

    2007-10-15

    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.

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

    Science.gov (United States)

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

    2007-10-01

    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.

  7. Electromagnetically Induced Transparency in a Four-Level Atomic System

    Institute of Scientific and Technical Information of China (English)

    LIJia-Hua; WANGWen-Yi

    2004-01-01

    In this paper, we analyze and discuss the absorption properties of the probe beam in a four-level atomic system with a nearly hyper-fine doublet structure of two higher-lying excited levels based on electromagnetieally induced transparency (EIT) for the two cases of transient process and steady-state process. The main gain of this work is to investigate theoretically the influence of the nearly hyper-fine levels on the probe absorption. For the transient process, using the numerical calculations by a simple Mathematica code we find that the magnitude of the probe absorption at the line center is small compared to the typical three-level atomic system in the context of electromagnetieally induced transparency. For the case of the steady state, our results show that the probe absorption can be completely eliminated at the line center of the probe transition just as the usual three-level EIT scheme.

  8. Electromagnetically Induced Transparency in a Four-Level Atomic System

    Institute of Scientific and Technical Information of China (English)

    LI Jia-Hua; WANG Wen-Yi

    2004-01-01

    In this paper, we analyze and discuss the absorption properties of the probe beam in a four-level atomic system with a nearly hyper-fine doublet structure of two higher-lying excited levels based on electromagnetically induced transparency (EIT) for the two cases of transient process and steady-state process. The main gain of this work is to investigate theoretically the influence of the nearly hyper-fine levels on the probe absorption. For the transient process,using the numerical calculations by a simple Mathematica code we find that the magnitude of the probe absorption at the line center is small compared to the typical three-level atomic system in the context of electromagnetically induced transparency. For the case of the steady state, our results show that the probe absorption can be completely eliminated at the line center of the probe transition just as the usual three-level EIT scheme.

  9. van der Waals energy under strong atom-field coupling in doped carbon nanotubes

    OpenAIRE

    Bondarev, Igor; Lambin, Philippe

    2004-01-01

    Using a unified macroscopic QED formalism, we derive an integral equation for the van der Waals energy of a two-level atomic system near a carbon nanotube. The equation is valid for both strong and weak atom-vacuum-field coupling. By solving it numerically, we demonstrate the inapplicability of weak-coupling-based van der Waals interaction models in a close vicinity of the nanotube surface.

  10. van der Waals energy under strong atom field coupling in doped carbon nanotubes

    Science.gov (United States)

    Bondarev, I. V.; Lambin, Ph.

    2004-10-01

    Using a unified macroscopic QED formalism, we derive an integral equation for the van der Waals energy of a two-level atomic system near a carbon nanotube. The equation is valid for both strong and weak atom-vacuum-field coupling. By solving it numerically, we demonstrate the inapplicability of weak-coupling-based van der Waals interaction models in a close vicinity of the nanotube surface.

  11. Understanding Atomic Structure: Is There a More Direct and Compelling Connection between Atomic Line Spectra and the Quantization of an Atom's Energy?

    Science.gov (United States)

    Rittenhouse, Robert C.

    2015-01-01

    The "atoms first" philosophy, adopted by a growing number of General Chemistry textbook authors, places greater emphasis on atomic structure as a key to a deeper understanding of the field of chemistry. A pivotal concept needed to understand the behavior of atoms is the restriction of an atom's energy to specific allowed values. However,…

  12. Understanding Atomic Structure: Is There a More Direct and Compelling Connection between Atomic Line Spectra and the Quantization of an Atom's Energy?

    Science.gov (United States)

    Rittenhouse, Robert C.

    2015-01-01

    The "atoms first" philosophy, adopted by a growing number of General Chemistry textbook authors, places greater emphasis on atomic structure as a key to a deeper understanding of the field of chemistry. A pivotal concept needed to understand the behavior of atoms is the restriction of an atom's energy to specific allowed values. However,…

  13. Non—conservation of energy arising from atomic dipole interactions and its effects on light field and coupled atoms

    Institute of Scientific and Technical Information of China (English)

    DongChuan-Hua

    2003-01-01

    The interactions between coulpled atoms and a single mode of a quantized electromagnetic field, which involve the terms originating from the dipole interactions, are discussed. In the usual Jaynes-Cummings model for coupled atoms, the terms of non-conservation of energy originating from dipole interactions are neglected, however, we take them into consideration in this paper. The effects of these terms on the evolutions of quantum statistic properties and squeezing of the field, the squeezing of atomic dipole moments and atomic population inversion are investigated. It has been shown that the coupling between atoms modulates these evolutions of fields and atoms. The terms of non-conservation of energy affect these evolutions of field and atoms slightly. They also have effects on the squeezing of the field, the squeezing of atomic dipole and atomic population inversions. The initial states of atoms also affect these properties.

  14. Non-conservation of energy arising from atomic dipole interactions and its effects on light field and coupled atoms

    Institute of Scientific and Technical Information of China (English)

    董传华

    2003-01-01

    The interactions between coupled atoms and a single mode of a quantized electromagnetic field, which involve the terms originating from the dipole interactions, are discussed. In the usual Jaynes Cummings model for coupled atoms,the terms of non-conservation of energy originating from dipole interactions are neglected, however, we take them into consideration in this paper. The effects of these terms on the evolutions of quantum statistic properties and squeezing of the field, the squeezing of atomic dipole moments and atomic population inversion are investigated. It has been shown that the coupling between atoms modulates these evolutions of fields and atoms. The terms of non-conservation of energy affect these evolutions of fields and atoms slightly. They also have effects on the squeezing of the field, the squeezing of atomic dipole and atomic population inversions. The initial states of atoms also affect these properties.

  15. Preparation of ultracold atom clouds at the shot noise level

    DEFF Research Database (Denmark)

    Gajdacz, Miroslav; Hilliard, Andrew J.; Kristensen, Mick A.;

    2016-01-01

    We prepare number stabilized ultracold clouds through the real-time analysis of non-destructive images and the application of feedback. In our experiments, the atom number ${N\\sim10^6}$ is determined by high precision Faraday imaging with uncertainty $\\Delta N$ below the shot noise level, i...

  16. The Atomic Energy Commission's Annual Report to Congress for 1959. Major Activities in the Atomic Energy Programs, January - December 1959

    Energy Technology Data Exchange (ETDEWEB)

    McCone, John A.

    1960-01-31

    The document represents the first annual reporting versus semiannual reporting of the Atomic Energy Commission (AEC) to Congress. The report consists of three parts: Part One, The Atomic Energy Industry in 1959 and Related Activities; Part Two, Major Activities in Atomic Energy Programs; and Part Three, Management of Radioactive Wastes. Nineteen appendices are also included.

  17. The Atomic Energy Commission's Annual Report to Congress for 1961. Major Activities in the Atomic Energy Programs, January - December 1961

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1962-01-31

    The document represents the 1961 Annual Report of the Atomic Energy Commission (AEC) to Congress. This year's report consists of four parts: Part One, The Atomic Energy Industry for 1961 and Related Activities; Part Two, Nuclear Power Programs for 1961; Part Three, Major Activities in Atomic Energy Programs; and Part Four, Regulatory Activities. Sixteen appendices are also included.

  18. 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.

  19. Corrections to the Nonrelativistic Ground Energy of a Helium Atom

    Institute of Scientific and Technical Information of China (English)

    段一士; 刘玉孝; 张丽杰

    2004-01-01

    Considering the nuclear motion, we present the nonrelativistic ground energy of a helium atom by using a simple effective variational wavefunction with a flexible parameter k. Based on the result, the relativistic and radiative corrections to the nonrelativistic Hamiltonian are discussed. The high precision value of the helium ground energy is evaluated to be -2.90338 a.u. With the relative error 0.00034%.

  20. Delegation from the Pakistan Atomic Energy Commission (PAEC)

    CERN Multimedia

    Patrice Loiez

    2002-01-01

    L. to r.: Dr Hafeez Hoorani (NCP) and Dr Michel Della Negra, Spokesman, CMS experiment with a delegation from the Pakistan Atomic Energy Commission: Mr Saeed Ahmed, Director SES, PAEC, Mr Muhammad Naeem, Director PWI and Mr Javed Iqleem, Deputy Chairman PAEC visiting the CMS magnet assembly hall at Point 5.

  1. A Bibliography of Basic Books on Atomic Energy

    Energy Technology Data Exchange (ETDEWEB)

    None

    1974-01-01

    This booklet lists selected commercially published books for the general public on atomic energy and closely related subjects. Books for young readers have school grade annotations.This booklet contains an author index, a title index, and a list of publishers’ addresses.

  2. Estimation of correlation energy for excited-states of atoms

    CERN Document Server

    Hemanadhan, M

    2014-01-01

    The correlation energies of various atoms in their excited-states are estimated by modelling the Coulomb hole following the previous work by Chakravorty and Clementi. The parameter in the model is fixed by making the corresponding Coulomb hole to satisfy the exact constraint of charge neutrality.

  3. Scientists credit `Atoms for Peace' for progress on energy, security

    CERN Multimedia

    Jones, D

    2003-01-01

    "Fifty years after President Eisenhower unveiled his plan for developing peaceful uses for nuclear fission, the scientific advances spawned by his Atoms for Peace program have made possible major advances in energy and national security, a panel of physicists said last week" (1 page).

  4. Field correlations and effective two level atom-cavity systems

    CERN Document Server

    Rebic, S; Tan, S M

    2004-01-01

    We analyse the properties of the second order correlation functions of the electromagnetic field in atom-cavity systems that approximate two-level systems. It is shown that a recently-developed polariton formalism can be used to account for all the properties of the correlations, if the analysis is extended to include two manifolds - corresponding to the ground state and the states excited by a single photon - rather than just two levels.

  5. Influence of atomic motion on the population and dipole squeezing of a cascade three-level atom in cavity field

    Institute of Scientific and Technical Information of China (English)

    Zhu Ai-Dong; Zhang Shou

    2004-01-01

    The dynamical property of a cascade three-level atom is investigated in the condition of atomic motion. The influence of atomic motion on the population and dipole squeezing is discussed. The results show that atomic motion makes the amplitude of atomic population be steady and increasing the parameter ep which denotes the atomic motion and the structure of field mode can shorten the period of collapse-revivals. By choosing an appropriate paramenter ep, we can obtain a dipole squeezed atom of long standing.

  6. Dissociative excitation of the manganese atom quartet levels by collisions e-MnBr2

    Science.gov (United States)

    Smirnov, Yu M.

    2017-04-01

    Dissociative excitation of quartet levels of the manganese atom was studied in collisions of electrons with manganese dibromide molecules. Eighty-two cross-sections for transitions originating at odd levels and eleven cross-sections for transitions originating at even levels have been measured at an incident electron energy of 100 eV. An optical excitation function has been recorded in the electron energy range of 0–100 eV for transitions originating from 3d 64p z 4 F° levels. For the majority of transitions, a comparison of the resulting cross-section values to cross-sections produced by direct excitation is provided.

  7. Low energy neutral atom imaging: Remote observations of the magnetosphere

    Energy Technology Data Exchange (ETDEWEB)

    Funsten, H.O.; McComas, D.J.; Scime, E.E.; Moore, K.R.

    1995-02-01

    Recent developments in detection of neutral atom imaging should enable imaging the global structure and dynamics of the terrestrial magnetosphere. The inherent technical challenge of imaging low energy neutral atoms (LENAs) with energy < 30 keV is their separation from the tremendous UV background, to which LENA detectors are sensitive, without loss of information of LENA trajectory and energy. Three instrument concepts for separating LENAs from the background UV are presented: LENA charge conversion via transmission through an ultrathin carbon foil and subsequent electrostatic deflection, EUV grating polarizers and attenuators, and high frequency shutters. Each of these concepts can be mated to a detector section that provides both LENA imaging capability and coincidence/time-of-flight.

  8. Residual degeneracy from non-degenerate Landau levels of ultracold atoms in light-induced gauge potentials

    Science.gov (United States)

    Farias, B.; Melo, J. Lemos de; Furtado, C.

    2016-10-01

    We study non-degenerate Landau levels of ultracold trapped atoms in two dimensions, subject to an U (1) × U(1) Abelian gauge field and a lateral confining potential along a specific direction. The Landau-level degeneracy is removed due to the presence of the lateral confining potential that makes the single-particle energy spectrum explicitly dependent on the transverse momentum. The effect of the finite size of the atomic cloud on the energy spectrum is to split each Landau level into a set of sub-levels, once the transverse momentum becomes quantized. We show that under appropriate conditions some energy sub-levels overlap leading to a residual degeneracy of the system. Through numerical calculations, we map the residual degeneracy as a function of the effective magnetic field strength. Finally, we briefly discuss future studies on the transport properties of this atomic system that can be considered an optically induced atomic waveguide.

  9. Quantum Otto engine of a two-level atom with single-mode fields.

    Science.gov (United States)

    Wang, Jianhui; Wu, Zhaoqi; He, Jizhou

    2012-04-01

    We establish a quantum Otto engine (QOE) of a two-level atom, which is confined in a one-dimensional (1D) harmonic trap and is coupled to single-mode radiation fields. Besides two adiabatic processes, the QOE cycle consists of two isochoric processes, along one of which the two-level atom as the working substance interacts with a single-mode radiation field. Based on the semigroup approach, we derive the time for completing any adiabatic process and then present a performance analysis of the heat engine model. Furthermore, we generalize the results to the performance optimization for a QOE of a single two-level atom trapped in a 1D power-law potential. Our result shows that the efficiency at maximum power output is dependent on the trap exponent θ but is independent of the energy spectrum index σ.

  10. Quantum Otto engine of a two-level atom with single-mode fields

    Science.gov (United States)

    Wang, Jianhui; Wu, Zhaoqi; He, Jizhou

    2012-04-01

    We establish a quantum Otto engine (QOE) of a two-level atom, which is confined in a one-dimensional (1D) harmonic trap and is coupled to single-mode radiation fields. Besides two adiabatic processes, the QOE cycle consists of two isochoric processes, along one of which the two-level atom as the working substance interacts with a single-mode radiation field. Based on the semigroup approach, we derive the time for completing any adiabatic process and then present a performance analysis of the heat engine model. Furthermore, we generalize the results to the performance optimization for a QOE of a single two-level atom trapped in a 1D power-law potential. Our result shows that the efficiency at maximum power output is dependent on the trap exponent θ but is independent of the energy spectrum index σ.

  11. Subluminal and Superluminal Phenomena in a Four-Level Atom

    Institute of Scientific and Technical Information of China (English)

    HAN Ding-An; ZENG Ya-Guang; CAO Hui

    2008-01-01

    In a four-level atomic system,we investigate the light pulse propagation properties interacting with only one laser field.It is shown that in the steady state,the group velocity of the light pulse can be changed from subluminal to superluminal by varying the field detuning.Meanwhile,the effects of the field intensity on the group velocity are also shown.At last,with special parameters,the analytical solution for the group index is also obtained.

  12. Soluble model of Bose-atoms with two level internal structure: non-conventional Bose-Einstein condensation

    Directory of Open Access Journals (Sweden)

    M. Corgini

    2010-01-01

    Full Text Available For a Bose atom system whose energy operator is diagonal in the so-called number operators and its ground state has an internal two-level structure with negative energies, exact expressions for the limit free canonical energy and pressure are obtained. The existence of non-conventional Bose-Einstein condensation has been also proved.

  13. Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms.

    Science.gov (United States)

    Vyboishchikov, Sergei F

    2016-12-05

    We report correlation energies, electron densities, and exchange-correlation potentials obtained from configuration interaction and density functional calculations on spherically confined He, Be, Be(2+) , and Ne atoms. The variation of the correlation energy with the confinement radius Rc is relatively small for the He, Be(2+) , and Ne systems. Curiously, the Lee-Yang-Parr (LYP) functional works well for weak confinements but fails completely for small Rc . However, in the neutral beryllium atom the CI correlation energy increases markedly with decreasing Rc . This effect is less pronounced at the density-functional theory level. The LYP functional performs very well for the unconfined Be atom, but fails badly for small Rc . The standard exchange-correlation potentials exhibit significant deviation from the "exact" potential obtained by inversion of Kohn-Sham equation. The LYP correlation potential behaves erratically at strong confinements. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  14. Atomic Level Rendering of DNA-Drug Encounter

    Science.gov (United States)

    Lucas, Maria F.; Cabeza de Vaca, Israel; Takahashi, Ryoji; Rubio-Martínez, Jaime; Guallar, Víctor

    2014-01-01

    Computer simulations have been demonstrated to be important for unraveling atomic mechanisms in biological systems. In this study, we show how combining unbiased molecular dynamic simulations with appropriate analysis tools can successfully describe metal-based drug interactions with DNA. To elucidate the noncovalent affinity of cisplatin’s family to DNA, we performed extensive all-atom molecular dynamics simulations (3.7 μs total simulation length). The results show that the parent drug, cisplatin, has less affinity to form noncovalent adducts in the major groove than its aquo complexes. Furthermore, the relative position in which the drugs enter the major groove is dependent on the compound’s net charge. Based on the simulations, we estimated noncovalent binding free energies through the use of Markov state models. In addition, and to overcome the lack of experimental information, we employed two additional methods: Molecular Mechanics Poisson-Boltzmann Surface Area (MMPB-SA) and steered molecular dynamics with the Jarzynski estimator, with an overall good agreement between the three methods. All complexes show interaction energies below 3 kcal/mol with DNA but the charged hydrolysis products have slightly more favorable binding free energies than the parent drug. Moreover, this study sets the precedent for future unbiased DNA-ligand simulations of more complex binders. PMID:24461017

  15. Quickening nature's pulse: atomic agriculture at the International Atomic Energy Agency.

    Science.gov (United States)

    Hamblin, Jacob Darwin

    2015-01-01

    Mutation breeders in the 1960s seemed poised to use atomic energy to speed up mutation rates in plants in order to develop new crop varieties, for the benefit of all people. Although skepticism had slowed this work in the United States, the International Atomic Energy Agency (IAEA) nurtured the scientific field, its community of experts, and an imagined version of the future that put humans in control of their destiny. The IAEA acted as a center of dissemination and support for experts and ideas even when they had fallen from favor elsewhere. Through the lens of the IAEA, plant breeding bore the appearance of a socially progressive, ultra-modern science destined to alleviate population pressures. Administrators at the IAEA also were desperate for success stories, hoping to highlight mutation plant breeding as a potential solution to the world's ills. The community of mutation plant breeders gained a lifeline from the consistent clarion call from the Vienna-based agency to use atomic energy to understand the natural world and quicken its pulse with radioisotopes.

  16. Plasma screening effects on the energies of hydrogen atom

    Energy Technology Data Exchange (ETDEWEB)

    Soylu, A. [Department of Physics, Nigde University, 51240 Nigde (Turkey)

    2012-07-15

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

  17. Precision X-ray spectroscopy of kaonic atoms as a probe of low-energy kaon-nucleus interaction

    CERN Document Server

    Shi, H; Beer, G; Bellotti, G; Berucci, C; Bragadireanu, A M; Bosnar, D; Cargnelli, M; Curceanu, C; Butt, A D; d'Uffizi, A; Fiorini, C; Ghio, F; Guaraldo, C; Hayano, R S; Iliescu, M; Ishiwatari, T; Iwasaki, M; Sandri, P Levi; Marton, J; Okada, S; Pietreanu, D; Piscicchia, K; Vidal, A Romero; Sbardella, E; Scordo, A; Sirghi, D L; Sirghi, F; Tatsuno, H; Doce, O Vazquez; Widmann, E; Zmeskal, J

    2016-01-01

    In the exotic atoms where one atomic $1s$ electron is replaced by a $K^{-}$, the strong interaction between the $K^{-}$ and the nucleus introduces an energy shift and broadening of the low-lying kaonic atomic levels which are determined by only the electromagnetic interaction. By performing X-ray spectroscopy for Z=1,2 kaonic atoms, the SIDDHARTA experiment determined with high precision the shift and width for the $1s$ state of $K^{-}p$ and the $2p$ state of kaonic helium-3 and kaonic helium-4. These results provided unique information of the kaon-nucleus interaction in the low energy limit.

  18. Natural atomic orbital based energy density analysis: Implementation and applications

    Science.gov (United States)

    Baba, Takeshi; Takeuchi, Mari; Nakai, Hiromi

    2006-06-01

    We present an improvement of energy density analysis (EDA), which partitions the total energy obtained by Hartree-Fock and/or density functional theory calculations, with the use of the natural atomic orbital (NAO) [A.E. Reed et al., J. Chem. Phys. 83 (1985) 735] and Löwdin's symmetric-orthogonal orbital (LSO). The present NAO- and LSO-EDA schemes are applied to analyses of CO 2 and Li9+ with various basis sets. Numerical results confirm that NAO-EDA exhibits less basis-set dependence, while the conventional results are very sensitive to the adopted basis sets.

  19. Scattering of low-energy neutrinos on atomic shells

    Energy Technology Data Exchange (ETDEWEB)

    Babič, Andrej [Dept. of Dosimetry and Application of Ionizing Radiation, Czech Technical University, 115 19 Prague, Czech Rep. (Czech Republic); Institute of Experimental and Applied Physics, Czech Technical University, 128 00 Prague (Czech Republic); Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Šimkovic, Fedor [Institute of Experimental and Applied Physics, Czech Technical University, 128 00 Prague (Czech Republic); Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Department of Nuclear Physics and Biophysics, Comenius University, 842 48 Bratislava (Slovakia)

    2015-10-28

    We present a derivation of the total cross section for inelastic scattering of low-energy solar neutrinos and reactor antineutrinos on bound electrons, resulting in a transition of the electron to an excited state. The atomic-shell structure of various chemical elements is treated in terms of a nonrelativistic approximation. We estimate the interaction rates for modern neutrino detectors, in particular the Borexino and GEMMA experiments. We establish that in these experiments the effect can be safely neglected, but it could be accessible to future large-volume neutrino detectors with low energy threshold.

  20. Realizing and detecting the quantum Hall effect without landau levels by using ultracold atoms.

    Science.gov (United States)

    Shao, L B; Zhu, Shi-Liang; Sheng, L; Xing, D Y; Wang, Z D

    2008-12-12

    We design an ingenious scheme to realize Haldane's quantum Hall model without Landau levels by using ultracold atoms trapped in an optical lattice. Three standing-wave laser beams are used to construct a wanted honeycomb lattice, where different on site energies in two sublattices required in the model can be implemented through tuning the phase of one laser beam. The staggered magnetic field is generated from the light-induced Berry phase. Moreover, we establish a relation between the Hall conductivity and the atomic density, enabling us to detect the Chern number with the typical density-profile-measurement technique.

  1. Importance of Atomic Contacts in Vibrational Energy Flow in Proteins.

    Science.gov (United States)

    Kondoh, Masato; Mizuno, Misao; Mizutani, Yasuhisa

    2016-06-02

    Vibrational energy flow in proteins was studied by monitoring the time-resolved anti-Stokes ultraviolet resonance Raman scattering of three myoglobin mutants in which a Trp residue substitutes a different amino acid residue near heme. The anti-Stokes Raman intensities of the Trp residue in the three mutants increased with similar rates after depositing excess vibrational energy at heme, despite the difference in distance between heme and each substituted Trp residue along the main chain of the protein. This indicates that vibrational energy is not transferred through the main chain of the protein but rather through atomic contacts between heme and the Trp residue. Distinct differences were observed in the amplitude of the band intensity change between the Trp residues at different positions, and the amplitude of the band intensity change exhibits a correlation with the extent of exposure of the Trp residue to solvent water. This correlation indicates that atomic contacts between an amino acid residue and solvent water play an important role in vibrational energy flow in a protein.

  2. Inquiries about awareness and knowledge of children and pupils on the concept related with atomic energy

    Energy Technology Data Exchange (ETDEWEB)

    Atobe, Kozo; Kobayashi, T.; Matukawa, Tokuo; Honda, Makoto; Awata, Takaaki; Fukuoka, Noboru [Naruto University of Education, Naruto, Tokushima (Japan); Okada, Moritami [Kyoto Univ., Kumatori, Osaka (Japan). Research Reactor Inst; Nakagawa, Masuo [Faculty of Education, Kagawa University, Takamatsu, Kagawa (Japan)

    2001-01-01

    There is almost no chance to learn about the words (atomic energy), (radioactivity) and (radiation) in the middle and/or high school educations in Japan, because physics is one of the options in the high school curriculum, and 80-90% of students do not like to choose physics. This inquires aim to know the level of their knowledge on energy resources, atomic energy, radioactivity, radiation, and information sources on their related knowledge. Inquiries are made for the middle and high school students in Tokushima and Tsuruga. There are coal power plants in Tokushima, while atomic power plants in Tsuruga. Fossils energy gets the highest points in Tokushima, while Atomic energy gets the highest points in Tsuruga for a present-day energy source. Solar energy sources get the highest point as a promising 21st century energy source in both prefectures, especially for female students. Radioactivity reminds them of words atomic bomb, disease, injury, and harmful, those give very negative images. Radiation reminds them of words roentgen, radiation therapy, x-ray, and hospital use, those designate a sort of plus-image. More than 50 to 60% of them obtained their knowledge from mass media, particularly, television. In addition, less than a few % of them can give any scientific description about these words. As a whole, authors can say that the students have got a certain concept for these words from information of mass media. Meanwhile the school education has approximately no effect on the formation of their concept. Authors are giving some advises and recommendations for the school education and mass media in Japan. (Y. Tanaka)

  3. A New Instrument Design for Imaging Low Energy Neutral Atoms

    Science.gov (United States)

    Keller, John W.; Collier, Michael R.; Chornay, Dennis; Rozmarynowski, Paul; Getty, Stephanie; Cooper, John F.; Smith, Billy

    2007-01-01

    The MidSTAR-2 satellite, to be built at the US Naval Academy as a follow-on to the successful MidSTAR-1 satellite (http://web.ew.usna.edu/midstar/), will launch in 2011 and carry three Goddard Space Flight Center (GSFC) experiments developed under Goddard's Internal Research and Development (IRAD) program. One of these GSFC instruments, the Miniature Imager for Neutral Ionospheric atoms and Magnetospheric Electrons (MINI-ME) builds on the heritage of the Goddard-developed Low-Energy Neutral Atom (LENA) imager launched on the IMAGE spacecraft in 2000. MINI-ME features a Venetian-blind conversion surface assembly that improves both light rejection and conversion efficiency in a smaller and lighter package than LENA making this an highly effective instrument for viewing solar wind charge exchange with terrestrial and planetary exospheres. We will describe the MINI-ME prototyping effort and its science targets.

  4. Progression of Technology Education for Atomic Energy Engineering in Tsuyama National College of Technology

    Science.gov (United States)

    Kato, Manabu; Kobayashi, Toshiro; Okada, Tadashi; Sato, Makoto; Sasai, Yuji; Konishi, Daijiro; Harada, Kanji; Taniguchi, Hironari; Toya, Hideaki; Inada, Tomomi; Sori, Hitoshi; Yagi, Hideyuki

    This paper describes the achievements of a program in which technology education is provided to cultivate practical core engineers for low-level radiation. It was made possible by means of (1) an introductory education program starting at an early age and a continuous agenda throughout college days and (2) regional collaboration. First, with regard to the early-age introductory education program and the continuous education agenda, the subjects of study related to atomic energy or nuclear engineering were reorganized as “Subjects related to Atomic Power Education” for all grades in all departments. These subjects were included in the syllabus and the student guide book, emphasizing a continuous and consistent policy throughout seven-year college study, including the five-year system and additional two-year advanced course. Second, to promote practical education, the contents of lectures, experiments, and internships were enriched and realigned in collaboration with the Japan Atomic Energy Agency, Okayama University and The Cyugoku Electric Power Co., Inc. In addition to the expansion and rearrangement of atomic power education, research on atomic power conducted for graduation thesis projects were undertaken to enhance the educational and research activities. In consequence, it has been estimated that there is now a total of fourteen subject areas in atomic energy technology, more than eight-hundred registered students in the department, and thirteen members of the teaching staff related to atomic energy technology. Furthermore, the “Tsuyama model” is still being developed. This program was funded by the Ministry of Education, Culture, Sports, Science and Technology.

  5. Negative spontaneous emission by a moving two-level atom

    Science.gov (United States)

    Lannebère, Sylvain; Silveirinha, Mário G.

    2017-01-01

    In this paper we investigate how the dynamics of a two-level atom is affected by its interaction with the quantized near field of a plasmonic slab in relative motion. We demonstrate that for small separation distances and a relative velocity greater than a certain threshold, this interaction can lead to a population inversion, such that the probability of the excited state exceeds the probability of the ground state, corresponding to a negative spontaneous emission rate. It is shown that the developed theory is intimately related to a classical problem. The problem of quantum friction is analyzed and the differences with respect to the corresponding classical effect are highlighted.

  6. Spontaneous Emission of an Inertial Multi-Level Atom in a Spacetime with a Reflecting Plane Boundary

    Institute of Scientific and Technical Information of China (English)

    ZHU Zhi-Ying; YU Hong-Wei

    2006-01-01

    @@ We calculate the contributions of the vacuum fluctuations and radiation reaction to the rate of change of the mean atomic energy for a multi-level hydrogen atom in the multipolar coupling scheme in a spacetime with a reflecting boundary. Our results show that, due to the presence of the boundary, the polarizations of the atom in the parallel direction and in the normal direction are weighted differently in terms of their contributions to the spontaneous emission rate, which is an oscillating function of the atom distance from the boundary. The possible experimental implications of our result are briefly discussed.

  7. Features of Low Energy Classical Bremsstrahlung From Neutral Atoms.

    Science.gov (United States)

    Florescu, A.; Obolensky, O. I.; Pratt, R. H.

    2002-05-01

    We study classical bremsstrahlung from neutral atoms and investigate the features characteristic for the low incident energy region. These features include oscillations in the energy dependence of the bremsstrahlung cross section and structures in the asymmetry parameter of radiation. We use soft-photon limit results to elucidate the physical origins of the features. We show that there is a correspondence between classical and quantum results [1]. In both cases the features result from the suppression of contributions to the radiation from certain angular momenta at certain energies. In quantum mechanics this corresponds to zeroes in certain radiation matrix elements. In the classical case the lack of contribution from some interval of angular momentum is caused by behaviors of elastic electron scattering in screened potentials. [1] A. Florescu, O. I. Obolensky, C. D. Shaffer, and R. H. Pratt 2001 AIP Conference Proceedings 576, 60-64.

  8. Fifth Semiannual Report of the Commission to the Congress: Atomic Energy Development, 1947- 1948

    Energy Technology Data Exchange (ETDEWEB)

    Lilienthal, David E.; Bacher, Robert F.; Pike, Sumner T.; Strauss, Lewis L.

    1949-01-01

    The document represents the fifth semiannual report to Congress, covering specifically the various developments in atomic energy since the inception of the Atomic Energy Commission in 1946. This fifth report represents an expansion of effort in all phases of atomic energy development and is prepared against a background of world affairs.

  9. Embedded atom calculations of unstable stacking fault energies and surface energies in intermetallics

    Energy Technology Data Exchange (ETDEWEB)

    Farkas, D. [Department of Materials Science and Engineering, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061 (United States); Zhou, S.J. [Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Vailhe, C.; Mutasa, B.; Panova, J. [Department of Materials Science and Engineering, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061 (United States)

    1997-01-01

    We performed embedded atom method calculations on surface energies and unstable stacking fault energies for a series of intermetallics for which interatomic potentials of the embedded atom type have recently been developed. These results were analyzed and applied to the prediction of relative ductility of these materials using the various current theories. Series of alloys with the B2 ordered structure were studied, and the results were compared to those in pure body-centered cubic (bcc) Fe. Ordered compounds with L1{sub 2} and L1{sub 0} structures based on the face-centered cubic (fcc) lattice were also studied. It was found that there is a correlation between the values of the antiphase boundary (APB) energies in B2 alloys and their unstackable stacking fault energies. Materials with higher APB energies tend to have higher unstable stacking fault energies, leading to an increased tendency to brittle fracture. {copyright} {ital 1997 Materials Research Society.}

  10. Positron-Lithium Atom and Electron-Lithium Atom Scattering Systems at Intermediate and High Energies

    Institute of Scientific and Technical Information of China (English)

    K. Ratnavelu; S. Y. Ng

    2006-01-01

    @@ The coupled-channel optical method is used to study positron scattering by atomic lithium at energies ranging from the ionization threshold to 60 eV. The present method simultaneously treats the target channels and the positronium (Ps) channels in the coupled-channel method together with the continuum effects via an ab-initio optical potential. Ionization, elastic and inelastic cross sections in target channels, and the total cross section are also reported and compared with other theoretical and experimental data. A comparative study with the corresponding electron-lithium data is also reported.

  11. Mitigating voltage fade in cathode materials by improving the atomic level uniformity of elemental distribution.

    Science.gov (United States)

    Zheng, Jianming; Gu, Meng; Genc, Arda; Xiao, Jie; Xu, Pinghong; Chen, Xilin; Zhu, Zihua; Zhao, Wenbo; Pullan, Lee; Wang, Chongmin; Zhang, Ji-Guang

    2014-05-14

    Lithium- and manganese-rich (LMR) layered-structure materials are very promising cathodes for high energy density lithium-ion batteries. However, their voltage fading mechanism and its relationships with fundamental structural changes are far from being well understood. Here we report for the first time the mitigation of voltage and energy fade of LMR cathodes by improving the atomic level spatial uniformity of the chemical species. The results reveal that LMR cathodes (Li[Li0.2Ni0.2M0.6]O2) prepared by coprecipitation and sol-gel methods, which are dominated by a LiMO2 type R3̅m structure, show significant nonuniform Ni distribution at particle surfaces. In contrast, the LMR cathode prepared by a hydrothermal assisted method is dominated by a Li2MO3 type C2/m structure with minimal Ni-rich surfaces. The samples with uniform atomic level spatial distribution demonstrate much better capacity retention and much smaller voltage fade as compared to those with significant nonuniform Ni distribution. The fundamental findings on the direct correlation between the atomic level spatial distribution of the chemical species and the functional stability of the materials may also guide the design of other energy storage materials with enhanced stabilities.

  12. Many-body approximations for atomic binding energies

    CERN Document Server

    Schuster, Micah D; Staker, Joshua T

    2011-01-01

    We benchmark three approximations for the many-body problem -- the Hartree-Fock, projected Hartree-Fock, and random phase approximations -- against full numerical configuration-interaction calculations of the electronic structure of atoms, from Li through to Ne. Each method uses exactly the same input, i.e., the same single-particle basis and Coulomb matrix elements, so any differences are strictly due to the approximation itself. Although it consistently overestimates the ground state binding energy, the random phase approximation has the smallest overall errors; furthermore, we suggest it may be useful as a method for efficient optimization of single-particle basis functions.

  13. Empirically corrected HEAT method for calculating atomization energies

    Energy Technology Data Exchange (ETDEWEB)

    Brand, Holmann V [Los Alamos National Laboratory

    2008-01-01

    We describe how to increase the accuracy ofthe most recent variants ofthe HEAT method for calculating atomization energies of molecules by means ofextremely simple empirical corrections that depend on stoichiometry and the number ofunpaired electrons in the molecule. Our corrections reduce the deviation from experiment for all the HEAT variants. In particular, our corrections reduce the average absolute deviation and the root-mean-square deviation ofthe 456-QP variant to 0.18 and 0.23 kJoule/mol (i.e., 0.04 and 0.05 kcallmol), respectively.

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

    Institute of Scientific and Technical Information of China (English)

    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 fourlevel 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.

  15. Dynamics of Finite Energy Airy Beams Carrying Orbital Angular Momentum in Multilevel Atomic Vapors

    Science.gov (United States)

    Wu, Zhenkun; Wang, Shun; Hu, Weifei; Gu, Yuzong

    2016-10-01

    We numerically investigate the dynamics of inward circular finite-energy Airy beams carrying different orbital angular momentum (OAM) numbers in a close-Λ three-level atomic vapor with the electromagnetically induced transparency (EIT) window. We report that due to the EIT induced by the microwave field, the transverse intensity distribution properties of Airy beam can be feasibly manipulated and modulated through adjusting OAM numbers l and the frequency detuning, as well as the propagation distance, in the multi-level atomic systems. What's more, the rotation of the beam also can be observed with different positions in atomic ensembles. The investigation may provide a useful tool for studying particle manipulation, signal processing and propagation in graded-index (GRIN) fibers.

  16. Alternate Funding Sources for the International Atomic Energy Agency

    Energy Technology Data Exchange (ETDEWEB)

    Toomey, Christopher; Wyse, Evan T.; Kurzrok, Andrew J.; Swarthout, Jordan M.

    2012-09-04

    Since 1957, the International Atomic Energy Agency (IAEA) has worked to ensure the safe and responsible promotion of nuclear technology throughout the world. The IAEA operates at the intersection of the Nuclear Nonproliferation Treaty’s (NPT) fourth and third articles, which guarantee Parties to the Treaty the right to peaceful uses of nuclear technology, provided those activities are placed under safeguards verified by the IAEA. However, while the IAEA has enjoyed substantial success and prestige in the international community, there is a concern that its resources are being stretched to a point where it may no longer be possible to execute its multifaceted mission in its entirety. As noted by the Director General (DG) in 2008, demographics suggest that every aspect of the IAEA’s operations will be in higher demand due to increasing reliance on non-carbon-based energy and the concomitant nonproliferation, safety, and security risks that growth entails. In addition to these nuclear energy concerns, the demand for technical developmental assistance in the fields of food security, resource conservation, and human health is also predicted to increase as the rest of the world develops. Even with a 100% value-for-money rating by the U.S. Office of Management and Budget (OMB) and being described as an “extraordinary bargain” by the United Nations Secretary-General’s High-level Panel on Threats, Challenges and Change, real budget growth at the Agency has been limited to zero-real growth for a better part of the last two decades. Although the 2012 regular budget (RB) received a small increase for most programs, the 2013 RB has been set at zero-real growth. As a result, the IAEA has had to defer infrastructure investments, which has hindered its ability to provide the public goods its Members seek, decreased global security and development opportunities, and functionally transformed the IAEA into a charity, dependent on extrabudgetary (EB) contributions to sustain

  17. What energy levels can the Earth sustain?

    Energy Technology Data Exchange (ETDEWEB)

    Moriarty, Patrick [Department of Industrial Design, Monash University, P.O. Box 197, Caulfield East 3145, Vic. (Australia); Honnery, Damon [Department of Mechanical and Aerospace Engineering, Monash University, P.O. Box 31, 3800 Vic. (Australia)

    2009-07-15

    Several official reports on future global primary energy production and use develop scenarios which suggest that the high energy growth rates of the 20th century will continue unabated until 2050 and even beyond. In this paper we examine whether any combination of fossil, nuclear, and renewable energy sources can deliver such levels of primary energy - around 1000 EJ in 2050. We find that too much emphasis has been placed on whether or not reserves in the case of fossil and nuclear energy, or technical potential in the case of renewable energy, can support the levels of energy use forecast. In contrast, our analysis stresses the crucial importance of the interaction of technical potentials for annual production with environmental factors, social, political, and economic concerns and limited time frames for implementation, in heavily constraining the real energy options for the future. Together, these constraints suggest that future energy consumption will be significantly lower than the present level. (author)

  18. Information Entropy. and Squeezing of Quantum Fluctuations in a Two-Level Atom

    Institute of Scientific and Technical Information of China (English)

    FANG Mao-Fa; ZHOU Peng; S. Swain

    2000-01-01

    We study the atomic squeezing in the language of the quantum information theory. A rigorous entropy uncertainty relation which suits for characterizing the squeezing of a two-level atoms is obtained, and a general definition of information entropy squeezing in the two-level atoms is given. The information entropy squeezing of two-level atoms interacting with a single-mode quantum field is examined. Our results show that the information entropy is a superior measure of the quantum uncertainty of atomic observable, also is a remarkable good precision measure of atomic squeezing. When the population difference of two-level atom is zero, the definition of atomic squeezing based on the Heisenberg uncertainty relation is trivial, while the definition of information entropy squeezing of the atom based on the entropy uncertainty relation is valid and can provide full information on the atomic squeezing in any cases.

  19. The role of correlation in the ground state energy of confined helium atom

    Energy Technology Data Exchange (ETDEWEB)

    Aquino, N. [Departamento de Física, Universidad Autónoma Metropolitana-Iztapalapa, Apartado Postal 55-534, 09340 México Distrito Federal (Mexico)

    2014-01-14

    We analyze the ground state energy of helium atom confined by spherical impenetrable walls, and the role of the correlation energy in the total energy. The confinement of an atom in a cavity is one way in which we can model the effect of the external pressure on an atom. The calculations of energy of the system are carried out by the variational method. We find that the correlation energy remains almost constant for a range values of size of the boxes analyzed.

  20. Proposal for the International Atomic Energy Agency Training Course

    Energy Technology Data Exchange (ETDEWEB)

    McCarthy, T.L.

    1994-06-01

    The Hanford Site has hosted similar activities, including both Hanford Summits I and II. The Hanford Summits were two-day televised events to discuss the commitment of the current Presidential administration to the environmental restoration of the Hanford Site. Public involvement and strategic issues established from Hanford Summit I include: Regulatory issues, training and education, economic development and partnership, and technology transfer. Hanford Summit II provided a summary of how Secretary of Energy O`Leary is proceeding on the above strategic issues. The DOE and Westinghouse School for Environmental Excellence frequently offers a six-week course for environmental professionals and workers. Approximately thirty to forty individuals attend the training course, which provides training in environmental regulation compliance. The Hanford Site has hosted two previous International Atomic Energy Agency training courses. The courses lasted two weeks and had approximately eight to ten participants. Nuclear Material Management and Neutron Monitoring were the courses hosted by the Hanford Site.

  1. ASTROPHYSICS. Atom-interferometry constraints on dark energy.

    Science.gov (United States)

    Hamilton, P; Jaffe, M; Haslinger, P; Simmons, Q; Müller, H; Khoury, J

    2015-08-21

    If dark energy, which drives the accelerated expansion of the universe, consists of a light scalar field, it might be detectable as a "fifth force" between normal-matter objects, in potential conflict with precision tests of gravity. Chameleon fields and other theories with screening mechanisms, however, can evade these tests by suppressing the forces in regions of high density, such as the laboratory. Using a cesium matter-wave interferometer near a spherical mass in an ultrahigh-vacuum chamber, we reduced the screening mechanism by probing the field with individual atoms rather than with bulk matter. We thereby constrained a wide class of dark energy theories, including a range of chameleon and other theories that reproduce the observed cosmic acceleration.

  2. The Atomic Energy Commission's Annual Report to Congress for 1960. Major Activities in the Atomic Energy Programs, January - December 1960

    Energy Technology Data Exchange (ETDEWEB)

    McCone, John A.

    1961-01-31

    The document covers activities for the period January - December 1960. The report consists of two parts: Part One, The Atomic Energy Industry in 1960 and Related Activities; and Part Two, Major Activities in Atomic Energy Programs. Twenty-one appendices are also included.

  3. LOW ENERGY BEAM-GAS SPECTROSCOPY OF HIGHLY IONISED ATOMS

    OpenAIRE

    Desesquelles, J.; DENIS A.; Druetta, M.; Martin, S.

    1989-01-01

    Features of low energy beam-gas spectroscopic source are reviewed and compared to those of other light sources. Measurement techniques are surveyed. They include the study of wavelength of heavy multiply charged ions in visible and u.v. ranges from normal excited states, doubly excited states, high n levels and doubly excited Rydberg levels.

  4. Isotope Effects in Low Energy Ion-Atom Collisions

    Energy Technology Data Exchange (ETDEWEB)

    Havener, Charles C [ORNL; Seely, D. G. [Albion College; Thomas, J. D. [University of Toledo, Toledo, OH; Kvale, Thomas Jay [University of Toledo, Toledo, OH

    2009-01-01

    Isotope effects for charge transfer processes have recently received increased attention. The ion-atom merged-beams apparatus at Oak Ridge National Laboratory is used to measure charge transfer for low energy collisions of multi-charged ions with H and D and is therefore well suited to investigate isotope effects. The apparatus has been relocated and upgraded to accept high velocity beams from the 250 kV High Voltage Platform at the Multi-Charged Ion Research Facility. The intense higher velocity multi-charged ion beams allow, for the first time, measurements with both H and D from keV/u down to meV/u collision energies in the center-of-mass frame. When charge transfer occurs at relatively large inter-nuclear distances (via radial couplings) the ion-induced dipole attraction can lead to trajectory effects, causing differences in the charge transfer cross sections for H and D. A strong isotope effect (nearly a factor of two) has been observed in the cross section for Si4+ + H(D) below 0.1 eV/u. However, little or no difference is observed for N2+ + H(D). Recently, strong effects have been predicted for the fundamental system He2+ + H(D,T) at collision energies below 200 eV/u where charge transfer occurs primarily through united-atom rotational coupling. We are currently exploring systems where rotational coupling is important and isotopic differences in the cross section can be observed.

  5. Effect of external energy on atomic, crystalline and powder characteristics of antimony and bismuth powders

    Indian Academy of Sciences (India)

    Vikram V Dabhade; Rama Mohan R Tallapragada; Mahendra Kumar Trivedi

    2009-10-01

    Next to atoms and molecules the powders are the smallest state of matter available in high purities and large quantities. The effect of any external energy on the shape, morphology and structure can thus be studied with relative ease. The present investigation deals with the effect of a non-contact external energy on the powders of antimony and bismuth. The characteristics of powders treated by external energy are compared with the as received powders (control). The average particle sizes, 50 and 99, the sizes below which 99% of the particles are present showed significant increase and decrease indicating that the energy had caused deformation and fracture as if the powders have been subjected to high energy milling. To be able to understand the reasons for these changes the powders are characterized by techniques such as X-ray diffraction (XRD), surface area determination (BET), thermal analytical techniques such as DTA–DTG, DSC–TGA and SDTA and scanning electron microscopy (SEM). The treated powder samples exhibited remarkable changes in the powder characteristics at all structural levels starting from polycrystalline particles, through single crystal to atoms. The external energy had changed the lattice parameters of the unit cell which in turn changed the crystallite size and density. The lattice parameters are then used to compute the weight and effective nuclear charge of the atom which showed significant variation. It is speculated that the external energy is acting on the nucleus through some reversible weak interaction of larger cross section causing changes in the proton to neutron ratios. Thus the effect is felt by all the atoms, and hence the unit cell, single crystal grain and grain boundaries. The stresses generated in turn may have caused deformation or fracture of the weak interfaces such as the crystallite and grain boundaries.

  6. Energy from the Atom. A Basic Teaching Unit on Energy. Revised.

    Science.gov (United States)

    McDermott, Hugh, Ed.; Scharmann, Larry, Ed.

    Recommended for grades 9-12 social studies and/or physical science classes, this 4-8 day unit focuses on four topics: (1) the background and history of atomic development; (2) two common types of nuclear reactors (boiling water and pressurized water reactors); (3) disposal of radioactive waste; and (4) the future of nuclear energy. Each topic…

  7. Seeking to Improve Low Energy Neutral Atom Detection in Space

    Science.gov (United States)

    Shappirio, M.; Coplan, M.; Chornay, D.; Collier, M.; Herrero, F.; Ogilvie, K.; Williams, E.

    2007-01-01

    The detection of energetic neutral atoms allows for the remote examination of the interactions between plasmas and neutral populations in space. Before these neutral atoms can be measured, they must first be converted to ions. For the low energy end of this spectrum, interaction with a conversion surface is often the most efficient method to convert neutrals into ions. It is generally thought that the most efficient surfaces are low work functions materials. However, by their very nature, these surfaces are highly reactive and unstable, and therefore are not suitable for space missions where conditions cannot be controlled as they are in a laboratory. We therefore are looking to optimize a stable surface for conversion efficiency. Conversion efficiency can be increased either by changing the incident angle of the neutral particles to be grazing incidence and using stable surfaces with high conversion efficiencies. We have examined how to increase the angle of incidence from -80 degrees to -89 degrees, while maintaining or improving the total active conversion surface area without increasing the overall volume of the instrument. We are developing a method to micro-machine silicon, which will reduce the volume to surface area ratio by a factor of 60. We have also examined the material properties that affect the conversion efficiency of the surface for stable surfaces. Some of the parameters we have examined are work function, smoothness, and bond structure. We find that for stable surfaces, the most important property is the smoothness of the surface.

  8. Biological implication of atomic collisions at the molecular level

    Energy Technology Data Exchange (ETDEWEB)

    Touati, A.; Herve du Penhoat, M.A.; Gobert, F.; Champion, C.; Fayard, B.; Abel, F.; L`Hoir, A.; Moulin, J.; Chetioui, A. [Paris-7 Univ., 75 (France). Groupe de Physique des Solides; Bailly-Despiney, I. [CEA/DSV/DRR/, Lab. de Radiotoxicologie, BP. 12, 19680 Bruyeres le Chatel (France); Sabatier, L. [CEA/DSV/DRR/, Lab. de Radiobiologie et Oncologie, BP. 6, Fontenay aux Roses Cedex (France)

    1997-10-01

    First biological models of radiation action were based on the average enerey deposited in the cell nucleus. Later theories have stressed the importance of the energy deposition at the nanometer level. Clusters of ionizations generated by K-electron removal seem to be a highly efficient mechanism for the induction of cell inactivation by heavy ions. Calculations and experimental results reported here support this hypothesis. (orig.). 13 refs.

  9. An atomic empire a technical history of the rise and fall of the British atomic energy programme

    CERN Document Server

    Hill, C N

    2013-01-01

    Britain was the first country to exploit atomic energy on a large scale, and at its peak in the mid-1960s, it had generated more electricity from nuclear power than the rest of the world combined.The civil atomic energy programme grew out of the military programme which produced plutonium for atomic weapons. In 1956, Calder Hall power station was opened by the Queen. The very next year, one of the early Windscale reactors caught fire and the world's first major nuclear accident occurred.The civil programme ran into further difficulty in the mid-1960s and as a consequence of procrastination in

  10. Chaotic Energy Hopping in Bidirectionally Kicked Rydberg Atoms

    Science.gov (United States)

    Burke, Korana; Mitchell, Kevin; Ye, Shuzhen; Dunning, F. Barry

    2012-06-01

    A highly excited (n 306) quasi one-dimensional Rydberg atom exposed to periodic alternating external electric field pulses exhibits chaotic behavior. Time evolution of this system is governed by a geometric structure of phase space called a homoclinic tangle and its turnstile. The turnstile is responsible for organizing chaotic ionization. We present and explain the results from an experiment designed to probe the structure of the phase space turnstile. We create time-independent Rydberg wave packets, subject them to alternating electric field kicks, and measure the ionization fraction. We present the behavior of the ionization fraction as a function of the applied kick strength and show that this behavior is directly connected to the size and shape of the underlying turnstile. For short kicking periods the ionization fraction as a function of the applied kick strength exhibits step-function-like behavior that changes into s-shape behavior for large kicking periods. Next we use the geometric structure of phase space to design a short pulse sequence that quickly and efficiently transfers electronic wave packet from a high energy state to a much lower energy state. Finally, we show how the phase space geometry influences the efficiency of the transport between energy states.

  11. Atomic Energy of Canada Limited annual report 1999-2000

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-07-01

    This is the annual report of the Atomic Energy of Canada Limited for the year ending March 31, 2000, and summarizes the activities of AECL during the period 1999-2000. The activities covered in this report include the CANDU reactor business, with the completion of the Wolsong unit 4 in the Republic of Korea, progress in the construction of two CANDU reactors for the Qinshan CANDU project in China, as well as the service business with Ontario Power Generation in the rehabilitation and life extension of operating CANDU reactors. In the R and D programs there is on-going effort towards the next generation of reactor technologies for CANDU nuclear power plants, discussions continue on the funding for the Canadian Neutron Facility for materials research (CNF) and progress being made on the Maple medical isotope reactor.

  12. Atomic Energy of Canada Limited annual report 2000-2001

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-07-01

    This is the annual report of the Atomic Energy of Canada Limited for the year ending March 31, 2001 and summarizes the activities of AECL during the period 2000-2001. The activities covered in this report include the CANDU reactor business, with progress being reported in the construction of two CANDU 6 reactors for the Qinshan CANDU project in China, the anticipated completion of Cernavoda unit 2, the completion of spent fuel storage at Cernavoda unit 1 in Romania, as well as the service business with New Brunswick Power, Ontario Power Generation, Bruce Power and Hydro Quebec in the refurbishment of operating, CANDU reactors. In the R and D programs discussions continue on funding for the Canadian Neutron Facility for Materials Research (CNF) and progress on the Maple medical isotope reactor.

  13. The dynamic properties of the two-level entangled atom in an optical field

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The interaction of an optical field and one of the entangled atoms is analyzed in detail in this paper. Furthermore, the dynamic properties of the two-level entangled atom are manifested. The properties of the action are dependent on the initial state of the atom. After detecting the atom out of the field, we can obtain the state of the other atom moving in the field. It is shown that the state of the atom out of the field influences the dynamic properties of the atom in the field.

  14. State-Level Benefits of Energy Efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Tonn, Bruce Edward [ORNL

    2007-02-01

    This report describes benefits attributable to state-level energy efficiency programs. Nationwide, state-level energy efficiency programs have targeted all sectors of the economy and have employed a wide range of methods to promote energy efficiency. Standard residential and industrial programs typically identify between 20 to 30% energy savings in homes and plants, respectively. Over a 20 year period of time, an average state that aggressively pursues even a limited array of energy efficiency programs can potentially reduce total state energy use by as much as 20%. Benefit-cost ratios of effective energy efficiency programs typically exceed 3 to 1 and are much higher when non-energy and macroeconomic benefits are included. Indeed, energy efficiency and associated programs and investments can create significant numbers of new jobs and enhance state tax revenues. Several states have incorporated energy efficiency into their economic development programs. It should also be noted that increasing amounts of venture capital are being invested in the energy sector in general and in specific technologies like solar power in particular. Well-designed energy efficiency programs can be expected to help overcome numerous barriers to the market penetration of energy efficient technologies and accelerate the market penetration of the technologies.

  15. A simple local correlation energy functional for spherically confined atoms from ab initio correlation energy density.

    Science.gov (United States)

    Vyboishchikov, Sergei F

    2017-09-03

    We propose a simple method of calculating the electron correlation energy density e_c(r) and the correlation potential V_c(r) from second-order Møller-Plesset amplitudes and its generalization for the case of a Configuration Interaction wavefunction, based on Nesbet's theorem. The correlation energy density obtained by this method for free and spherically confined Be and He atoms was employed to fit a local analytical density functional based on Wigner's functional. The functional is capable to reproduce a strong increase of the correlation energy with decreasing the confined radius for the Be atom. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Institute of Scientific and Technical Information of China (English)

    ZHANG XinHua; YANG ZhiYong; XU PeiPei

    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 degen-erate three-level atom with a single-mode cavity field is proposed, which is based upon the complete quantum theory mentioned above.

  17. 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.

  18. Atomic Energy Act (AtG) and subordinate legislation. Collections. 33. ed.; Atomgesetz mit Verordnungen. Textsammlung

    Energy Technology Data Exchange (ETDEWEB)

    Ziegler, Eberhard (ed.)

    2014-07-01

    The 33rd edition of the present statute book contains the Site Selection Law (StandAG) of 25 July 2013, which specifies the procedure for selecting sites for final disposal of high-level radioactive wastes, and the Law on the Establishment of a Federal Office for Disposal of Radioactive Wastes, promulgated as Art. 3 of the Site Selection Law. Some regulations of the StandAG already took effect on 27 July 2013, while others are to be enacted on 1 January 2014 along with amendments to the Atomic Energy Law, the Schedule of Costs to the Atomic Energy Law and the Law on Environmental Impact Assessments that result from the StandAG. The new edition also includes legislative amendments that were passed after the publication of the previous edition, namely those to the Food Irradiation Ordinance, the Law on the Establishment of the Federal Radiation Protection Office and to relevant regulations of the Criminal Code.

  19. 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

  20. Nuclear Energy: It is Time to Revitalize the Peaceful Atom

    Science.gov (United States)

    2011-03-16

    levels of poisonous hydrogen sulfide . Base load electricity is required twenty four hours a day. Wind power is intermittent. The sun does not shine at...dependence on foreign oil by producing hydrogen for use in fuel cells and synthetic liquid fuels.57 Nuclear energy is bad for the environment. Nuclear

  1. Coating synthesis on dielectric substrates assisted by pulsed beams of high-energy gas atoms

    Science.gov (United States)

    Grigoriev, S. N.; Melnik, Yu A.; Metel, A. S.

    2017-05-01

    Titanium nitride and aluminum nitride coatings have been deposited on glass and aluminum oxide substrates in a flow of metal atoms accompanied by high-energy gas atoms. The metal atoms are produced due to sputtering of a flat rectangular magnetron target. The gas atoms with energy up to 25 keV are produced due to charge exchange collisions of ions extracted from the magnetron discharge plasma and accelerated by high-voltage pulses applied to a flat grid parallel to the target. The metal atoms pass through the grid and deposit on the substrate. Conjunction of their trajectories with those of gas atoms bombarding the growing coating enables the coating synthesis on complex-shape dielectric products planetary rotating inside the vacuum chamber. Mixing high-energy gas atoms of the coating and substrate atoms substantially improves the coating adhesion.

  2. Change of Energy of the Cubic Subnanocluster of Iron Under Influence of Interstitial and Substitutional Atoms.

    Science.gov (United States)

    Nedolya, Anatoliy V; Bondarenko, Natalya V

    2016-12-01

    Energy change of an iron face-centred cubic subnanocluster was evaluated using molecular mechanics method depending on the position of a carbon interstitial atom and substitutional atoms of nickel. Calculations of all possible positions of impurity atoms show that the energy change of the system are discrete and at certain positions of the atoms are close to continuous.In terms of energy, when all impurity atoms are on the same edge of an atomic cluster, their positions are more advantageous. The presence of nickel atoms on the edge of a cubic cluster resulted in decrease of potential barrier for a carbon atom and decrease in energy in the whole cluster. A similar drift of a carbon atom from central octahedral interstitial site to the surface in the direction occurred under the influence of surface factors.Such configuration corresponds to decreasing symmetry and increasing the number of possible energy states of a subnanocluster, and it corresponds to the condition of spontaneous crystallization process in an isolated system.Taking into account accidental positions of the nickel atom in the iron cluster, such behaviour of the carbon atom can explain the mechanism of growth of a new phase and formation of new clusters in the presence of other kind of atoms because of surface influence.

  3. The impact of atomic precision measurements in high energy physics

    OpenAIRE

    Casalbuoni, Roberto

    2000-01-01

    In this talk I discuss the relevance of atomic physics in understanding some important questions about elementary particle physics. A particular attention is devoted to atomic parity violation measurements which seem to suggest new physics beyond the Standard Model. Atomic physics might also be relevant in discovering possible violations of the CPT symmetry.

  4. A study on the improvement of the legal system concerning Korean Atomic Energy Act

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Il Un; Jung, Jong Hak; Kim, Jae Ho; Moon, Jong Wook; Kim, In Sub [Chungnam National Univ., Taejon (Korea, Republic of)

    1998-03-15

    Cause-effect analysis, adjustment, and generalization of the current atomic energy act are contents of this research. These are to be based on the legal theory. Analysis of the current atomic energy act from the viewpoint of constitutional law and administrative law. Review of the other domestic legal systems which have similar problems as the atomic energy act has. Inquiry about the operation of nuclear legal systems of foreign nations.

  5. Energy levels and radiative rates for transitions in Ti VII

    CERN Document Server

    Aggarwal, KM

    2013-01-01

    We report calculations of energy levels, radiative rates, oscillator strengths and line strengths for transitions among the lowest 231 levels of Ti VII. The general-purpose relativistic atomic structure package ({\\sc grasp}) and flexible atomic code ({\\sc fac}) are adopted for the calculations. Radiative rates, oscillator strengths and line strengths are provided for all electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2) and magnetic quadrupole (M2) transitions among the 231 levels, although calculations have been performed for a much larger number of levels (159,162). In addition, lifetimes for all 231 levels are listed. Comparisons are made with existing results and the accuracy of the data is assessed. In particular, the most recent calculations reported by Singh {\\em et al} [Can J. Phys. {\\bf 90} (2012) 833] are found to be unreliable, with discrepancies for energy levels of up to 1 Ryd and for radiative rates of up to five orders of magnitude for several transitions, particularly the we...

  6. Atoms

    Institute of Scientific and Technical Information of China (English)

    刘洪毓

    2007-01-01

    Atoms(原子)are all around us.They are something like the bricks (砖块)of which everything is made. The size of an atom is very,very small.In just one grain of salt are held millions of atoms. Atoms are very important.The way one object acts depends on what

  7. Energy Levels of Hydrogen and Deuterium

    Science.gov (United States)

    SRD 142 Energy Levels of Hydrogen and Deuterium (Web, free access)   This database provides theoretical values of energy levels of hydrogen and deuterium for principle quantum numbers n = 1 to 200 and all allowed orbital angular momenta l and total angular momenta j. The values are based on current knowledge of the revelant theoretical contributions including relativistic, quantum electrodynamic, recoil, and nuclear size effects.

  8. Atomic Energy Act and Related Legislation. Environmental Guidance Program Reference Book: Revision 6

    Energy Technology Data Exchange (ETDEWEB)

    1992-09-01

    This report presents information related to the Atomic Energy Act and related legislation. Sections are presented pertaining to legislative history and statutes, implementing regulations, and updates.

  9. Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy

    Science.gov (United States)

    Perdew, John P.; Constantin, Lucian A.

    2007-04-01

    We construct a Laplacian-level meta-generalized-gradient-approximation (meta-GGA) for the noninteracting (Kohn-Sham orbital) positive kinetic energy density τ of an electronic ground state of density n . This meta-GGA is designed to recover the fourth-order gradient expansion τGE4 in the appropriate slowly varying limit and the von Weizsäcker expression τW=∣∇n∣2/(8n) in the rapidly varying limit. It is constrained to satisfy the rigorous lower bound τW(r)⩽τ(r) . Our meta-GGA is typically a strong improvement over the gradient expansion of τ for atoms, spherical jellium clusters, jellium surfaces, the Airy gas, Hooke’s atom, one-electron Gaussian density, quasi-two-dimensional electron gas, and nonuniformly scaled hydrogen atom. We also construct a Laplacian-level meta-GGA for exchange and correlation by employing our approximate τ in the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA density functional. The Laplacian-level TPSS gives almost the same exchange-correlation enhancement factors and energies as the full TPSS, suggesting that τ and ∇2n carry about the same information beyond that carried by n and ∇n . Our kinetic energy density integrates to an orbital-free kinetic energy functional that is about as accurate as the fourth-order gradient expansion for many real densities (with noticeable improvement in molecular atomization energies), but considerably more accurate for rapidly varying ones.

  10. X-ray energies of circular transitions and electrons screening in kaonic atoms

    CERN Document Server

    Santos, J P; Desclaux, J P; Indelicato, P J; Parente, F; Indelicato, Paul; ccsd-00002661, ccsd

    2004-01-01

    The QED contribution to the energies of the circular (n,l=n-1), 2 ≤ n ≤ 19 transitions have been calculated for several kaonic atoms throughout the periodic table, using the current world average kaon mass. Calculations were done in the framework of the Klein-Gordon equation, with finite nuclear size and all-order Uelhing vacuum polarization corrections, as well as Kallen and Sabry and Wichmann and Kroll corrections. These energy level values are compared with other computed values. The circular transition energies are compared with available measured and theoretical transition energy. Electron screening is evaluated using a Dirac-Fock model for the electronic part of the wave function. The effect of electronic wavefunction correlation is evaluated for the first time.

  11. Index to the United States Atomic Energy Commission's Annual Report to Congress for 1961. Major activities in the atomic energy programs, January 1961 - December 1961

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1962-01-31

    This volume contains a name and subject index for the 1961 report of the United States Atomic Energy Commission to Congress. The full semiannual report covers the major unclassified activities of the Commission from January through December 1961.

  12. Index to the United States Atomic Energy Commission's Annual Report to Congress for 1962. Major activities in the atomic energy programs, January 1962 - December 1962

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1963-01-31

    This volume contains a name and subject index for the 1962 report of the United States Atomic Energy Commission to Congress. The full semiannual report covers the major unclassified activities of the Commission from January through December 1962.

  13. Index to the United States Atomic Energy Commission's Annual Report to Congress for 1960. Major activities in the atomic energy programs, January 1960 - December 1960

    Energy Technology Data Exchange (ETDEWEB)

    McCone, John A.

    1961-01-31

    This volume contains a name and subject index for the 1960 report of the United States Atomic Energy Commission to Congress. The full semiannual report covers the major unclassified activities of the Commission from January through December 1960.

  14. Index to the United States Atomic Energy Commission's Annual Report to Congress for 1959. Major activities in the atomic energy programs, January 1959 - December 1959

    Energy Technology Data Exchange (ETDEWEB)

    McCone, John A.

    1960-01-31

    This volume contains a name and subject index for the 1959 report of the United States Atomic Energy Commission to Congress. The full semiannual report covers the major unclassified activities of the Commission from January through December 1959.

  15. Tunnelling of Two-Level Atoms in Two-Photon Mazer:Atomic Coherence Effect and Statistics of Cavity Fields

    Institute of Scientific and Technical Information of China (English)

    何小灵; 杜四德; 周鲁卫; 汪启胜; 陈灏

    2004-01-01

    Tunnelling of a two-level atom is investigated in the two-photon mazer when the atom is initially prepared in a coherent superposition state and the cavity in various quantum states. For a strong coherent field, the tunnelling exhibits more regular oscillations but less remarkable switch effect than that in the one-photon mazer. It is discovered that in the presence of atomic coherence, the transmission probabilities in the ultracold regime are significantly different when the cavity field is initially in coherent, squeezed vacuum, even cat and odd cat states,respectively.

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

    Science.gov (United States)

    Nishikawa, Osamu; Taniguchi, Masahiro

    2016-12-22

    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.

  17. The Atomic Energy Commission's Annual Report to Congress for 1962. Major Activities in the Atomic Energy Programs, January - December 1962

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1963-01-31

    The document represents the 1962 Annual Report of the Atomic Energy Commission (AEC) to Congress. This year's report opens with a section of Highlights of the Atomic Energy Programs of 1962, followed by five parts: Part One, Commission Activities; Part Two, Nuclear Reactor Programs; Part Three, Production and Weapons Programs; Part Four, Other Major Programs; and Part Five, The Regulatory Program. Sixteen appendices are also included.

  18. Energy and angular distributions of excited rhodium atoms ejected from the rhodium (100) surface

    Energy Technology Data Exchange (ETDEWEB)

    El-Maazawi, M.; Maboudian, R.; Postawa, Z.; Winograd, N. (Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802 (US))

    1991-05-15

    Multiphoton resonance ionization spectroscopy has been used to determine the polar-angle and the kinetic-energy distribution of Rh atoms desorbed from the ion-bombarded Rh{l brace}100{r brace} surface in the fine-structure components of the {ital a}{sup 4}{ital F}{sub {ital J}} ground-state multiplet ({ital J}=9/2 and 7/2). The overall behavior is found to be very similar to that observed for higher-lying metastable levels. The energy distribution of the metastable level ({sup 4}{ital F}{sub 7/2} with excitation energy of {similar to}0.2 eV) is found to be broader than the ground-state ({sup 4}{ital F}{sub 9/2}) distribution. The energy distribution of the excited ejected atoms is shown to depend mainly on the electron configuration of the excited state. The measured spectra have also been used to investigate the dependence of the excitation probability on the emission velocity. It is shown that the excitation probability depends strongly on this parameter, approaching an exponential dependence on the reciprocal of the normal component of velocity at higher velocities ({gt}5{times}10{sup 5} cm/sec).

  19. Report on the atom what you should know about atomic energy

    CERN Document Server

    Dean, Gordon

    1954-01-01

    The American approach to the atom ; Uranium is where you find it ; the production line: ore to bombs ; the expanding programme ; the headaches ; the pay-off: weapons ; the military and the atoms ; power: the peaceful goals, first phase ; power: the peaceful goals, second goals ; radioisotopes: servants of man ; the quest for knowledge ; secrecy, security and spies ; the international atom ; behind the Iron Curtain ; the way ahead.

  20. AtomDB and PyAtomDB: Atomic Data and Modelling Tools for High Energy and Non-Maxwellian Plasmas

    Science.gov (United States)

    Foster, Adam; Smith, Randall K.; Brickhouse, Nancy S.; Cui, Xiaohong

    2016-04-01

    The release of AtomDB 3 included a large wealth of inner shell ionization and excitation data allowing accurate modeling of non-equilibrium plasmas. We describe the newly calculated data and compare it to published literature data. We apply the new models to existing supernova remnant data such as W49B and N132D. We further outline progress towards AtomDB 3.1, including a new energy-dependent charge exchange cross sections.We present newly developed models for the spectra of electron-electron bremsstrahlung and those due to non-Maxwellian electron distributions.Finally, we present our new atomic database access tools, released as PyAtomDB, allowing powerful use of the underlying fundamental atomic data as well as the spectral emissivities.

  1. Atomic Layer Deposition of Bismuth Vanadates for Solar Energy Materials.

    Science.gov (United States)

    Stefik, Morgan

    2016-07-07

    The fabrication of porous nanocomposites is key to the advancement of energy conversion and storage devices that interface with electrolytes. Bismuth vanadate, BiVO4 , is a promising oxide for solar water splitting where the controlled fabrication of BiVO4 layers within porous, conducting scaffolds has remained a challenge. Here, the atomic layer deposition of bismuth vanadates is reported from BiPh3 , vanadium(V) oxytriisopropoxide, and water. The resulting films have tunable stoichiometry and may be crystallized to form the photoactive scheelite structure of BiVO4 . A selective etching process was used with vanadium-rich depositions to enable the synthesis of phase-pure BiVO4 after spinodal decomposition. BiVO4 thin films were measured for photoelectrochemical performance under AM 1.5 illumination. The average photocurrents were 1.17 mA cm(-2) at 1.23 V versus the reversible hydrogen electrode using a hole-scavenging sulfite electrolyte. The capability to deposit conformal bismuth vanadates will enable a new generation of nanocomposite architectures for solar water splitting.

  2. Tritium handling experience at Atomic Energy of Canada Limited

    Energy Technology Data Exchange (ETDEWEB)

    Suppiah, S.; McCrimmon, K.; Lalonde, S.; Ryland, D.; Boniface, H.; Muirhead, C.; Castillo, I. [Atomic Energy of Canad Limited - AECL, Chalk River Laboratories, Chalk River, ON (Canada)

    2015-03-15

    Canada has been a leader in tritium handling technologies as a result of the successful CANDU reactor technology used for power production. Over the last 50 to 60 years, capabilities have been established in tritium handling and tritium management in CANDU stations, tritium removal processes for heavy and light water, tritium measurement and monitoring, and understanding the effects of tritium on the environment. This paper outlines details of tritium-related work currently being carried out at Atomic Energy of Canada Limited (AECL). It concerns the CECE (Combined Electrolysis and Catalytic Exchange) process for detritiation, tritium-compatible electrolysers, tritium permeation studies, and tritium powered batteries. It is worth noting that AECL offers a Tritium Safe-Handling Course to national and international participants, the course is a mixture of classroom sessions and hands-on practical exercises. The expertise and facilities available at AECL is ready to address technological needs of nuclear fusion and next-generation nuclear fission reactors related to tritium handling and related issues.

  3. Core level binding energies of functionalized and defective graphene.

    Science.gov (United States)

    Susi, Toma; Kaukonen, Markus; Havu, Paula; Ljungberg, Mathias P; Ayala, Paola; Kauppinen, Esko I

    2014-01-01

    X-ray photoelectron spectroscopy (XPS) is a widely used tool for studying the chemical composition of materials and it is a standard technique in surface science and technology. XPS is particularly useful for characterizing nanostructures such as carbon nanomaterials due to their reduced dimensionality. In order to assign the measured binding energies to specific bonding environments, reference energy values need to be known. Experimental measurements of the core level signals of the elements present in novel materials such as graphene have often been compared to values measured for molecules, or calculated for finite clusters. Here we have calculated core level binding energies for variously functionalized or defected graphene by delta Kohn-Sham total energy differences in the real-space grid-based projector-augmented wave density functional theory code (GPAW). To accurately model extended systems, we applied periodic boundary conditions in large unit cells to avoid computational artifacts. In select cases, we compared the results to all-electron calculations using an ab initio molecular simulations (FHI-aims) code. We calculated the carbon and oxygen 1s core level binding energies for oxygen and hydrogen functionalities such as graphane-like hydrogenation, and epoxide, hydroxide and carboxylic functional groups. In all cases, we considered binding energy contributions arising from carbon atoms up to the third nearest neighbor from the functional group, and plotted C 1s line shapes by using experimentally realistic broadenings. Furthermore, we simulated the simplest atomic defects, namely single and double vacancies and the Stone-Thrower-Wales defect. Finally, we studied modifications of a reactive single vacancy with O and H functionalities, and compared the calculated values to data found in the literature.

  4. Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

    CERN Document Server

    Rupp, Matthias; Müller, Klaus-Robert; von Lilienfeld, O Anatole

    2011-01-01

    We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schr\\"odinger equation is mapped onto a non-linear statistical regression problem of reduced complexity. Regression models are trained on and compared to atomization energies computed with hybrid density-functional theory. Cross-validation over more than seven thousand small organic molecules yields a mean absolute error of ~10 kcal/mol. Applicability is demonstrated for the prediction of molecular atomization potential energy curves.

  5. Measurement of the isotope shift of the 2{{\\rm{p}}}^{4}{}^{3}{{P}}_{2} \\rightarrow 2{{\\rm{p}}}^{3}3{\\rm{p}}{}^{3}{{P}}_{2} two-photon transition of O I and a revision of the triplet energy levels of atomic oxygen

    Science.gov (United States)

    Marinov, D.; Booth, J.-P.; Drag, C.; Blondel, C.

    2017-03-01

    Two-photon induced fluorescence of atomic oxygen, which is routinely used for plasma and flame diagnostics, is implemented with two counterpropagating laser beams of sufficient monochromaticity to permit Doppler-free spectroscopy. A single-mode injection-seeded pulsed Ti:sapphire laser has been frequency-doubled twice to produce narrow-band pulsed radiation at wavelengths around 225.6 nm, suitable to excite the ground-state-to-2{{{p}}}33{{p}}{}3{P} two-photon resonance line of oxygen. Accurate measurement of the injection-seeding wavelength provides new data on the excitation energy of the 3{{p}}{}3{P} states. The experiment was done both sequentially and simultaneously on 16O and 18O, which makes it possible to test recent calculations of the isotope shift. Having an absolute measurement of the excitation wave-number from the ground level, which has been the case only twice in previous spectroscopic studies of O I, we can re-examine the energy levels of the subset of triplet states and present an updated set of optimised energy values.

  6. SIMULATION OF THE ATOMIZED FLOW BY SLIT TYPE BUCKET ENERGY DISSIPATOR

    Institute of Scientific and Technical Information of China (English)

    LIU Shi-he; DUAN Hong-dong

    2005-01-01

    Slit type bucket is one kind of flip bucket for energy dissipation generally used in the hydraulic project.In this paper the atomized flow produced behind this energy dissipator is analyzed, a numerical model for the aerated jet considering air entrainment and air resistance force is suggested, and simulation of the rain resulted by the atomized flow is also discussed.Furthermore, the prototype observation data for the atomized flow of Dongjiang Hydropower Station is used to verify the model suggested.

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

    NARCIS (Netherlands)

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

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

  8. Resonance fluorescence of a trapped three-level atom

    CERN Document Server

    Bienert, M; Morigi, G; Bienert, Marc; Merkel, Wolfgang; Morigi, Giovanna

    2003-01-01

    We investigate theoretically the spectrum of resonance fluorescence of a harmonically trapped atom, whose internal transitions are $\\Lambda$--shaped and driven at two-photon resonance by a pair of lasers, which cool the center--of--mass motion. For this configuration, photons are scattered only due to the mechanical effects of the quantum interaction between light and atom. We study the spectrum of emission in the final stage of laser--cooling, when the atomic center-of-mass dynamics is quantum mechanical and the size of the wave packet is much smaller than the laser wavelength (Lamb--Dicke limit). We use the spectral decomposition of the Liouville operator of the master equation for the atomic density matrix and apply second order perturbation theory. We find that the spectrum of resonance fluorescence is composed by two narrow sidebands -- the Stokes and anti-Stokes components of the scattered light -- while all other signals are in general orders of magnitude smaller. For very low temperatures, however, th...

  9. Comparison of energy performance requirements levels

    DEFF Research Database (Denmark)

    Spiekman, Marleen; Thomsen, Kirsten Engelund; Rose, Jørgen

    This summary report provides a synthesis of the work within the EU SAVE project ASIEPI on developing a method to compare the energy performance (EP) requirement levels among the countries of Europe. Comparing EP requirement levels constitutes a major challenge. From the comparison of for instance...... the present Dutch requirement level (EPC) of 0,8 with the present Flemish level of E80, it can easily be seen that direct comparison is not possible. The conclusions and recommendations of the study are presented in part A. These constitute the most important result of the project. Part B gives an overview...

  10. Radiation forces on a three-level atom in the high-order Bessel beams

    Institute of Scientific and Technical Information of China (English)

    Wang Zheng-Ling; Yin Jian-Ping

    2008-01-01

    The general expressions of the average dissipative and dipole forces acting on a A-configuration three-level atom in an arbitrary light field are derived by means of the optical Bloch equations based on the atomic density matrix elements, and the general properties of the average dissipative and dipole forces on a three-level atom in the linearly-polarized high-order Bessel beams (HBBs) are analysed. We find a resonant property (with two resonant peaks) of the dissipative force and a non-resonant property (with two pairs of non-resonant peaks) of the dipole force on the three-level atom, which are completely different from those on the two-level atom. Meanwhile we find a saturation effect of the average dissipative force in the HBB, which comes from the saturation of the upper-level population. Our study shows that the general expressions of the average dissipative and dipole forces on the three-level atom will be simplified to those of the two-level atom under the approximation of large detuning. Finally, we study the axial and azimuthal Doppler cooling of atoms in 1D optical molasses composed of two counter-propagating HBBs and discuss the azimuthal influence of the HBB on the Doppler cooling limit. We also find that the Doppler limit of atoms in the molasses HBB is slightly below the conventional Doppler limit of hг/(2кB) due to the orbital angular momentum lh of the HBB.

  11. Localized description of surface energy gap effects in the resonant charge exchange between atoms and surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Iglesias-Garcia, A; Garcia, Evelina A; Goldberg, E C, E-mail: aiglesiasg@santafe-conicet.gov.ar [Instituto de Desarrollo Tecnologico para la Industria Quimica (INTEC-CONICET-UNL), Gueemes 3450, CC91, (S3000GLN) Santa Fe (Argentina)

    2011-02-02

    The resonant charge exchange between atoms and surfaces is described by considering a localized atomistic view of the solid within the Anderson model. The presence of a surface energy gap is treated within a simplified tight-binding model of the solid, and a proper calculation of the Hamiltonian terms based on a LCAO expansion of the solid eigenstates is performed. It is found that interference terms jointly with a surface projected gap maximum at the {Gamma} point and the Fermi level inside it, lead to hybridization widths negligible around the Fermi level. This result can explain experimental observations related to long-lived adsorbate states and anomalous neutral fractions of low energy ions in alkali/Cu(111) systems.

  12. Atomic-level structural and functional model of a bacterial photosynthetic membrane vesicle.

    Science.gov (United States)

    Sener, Melih K; Olsen, John D; Hunter, C Neil; Schulten, Klaus

    2007-10-02

    The photosynthetic unit (PSU) of purple photosynthetic bacteria consists of a network of bacteriochlorophyll-protein complexes that absorb solar energy for eventual conversion to ATP. Because of its remarkable simplicity, the PSU can serve as a prototype for studies of cellular organelles. In the purple bacterium Rhodobacter sphaeroides the PSU forms spherical invaginations of the inner membrane, approximately 70 nm in diameter, composed mostly of light-harvesting complexes, LH1 and LH2, and reaction centers (RCs). Atomic force microscopy studies of the intracytoplasmic membrane have revealed the overall spatial organization of the PSU. In the present study these atomic force microscopy data were used to construct three-dimensional models of an entire membrane vesicle at the atomic level by using the known structure of the LH2 complex and a structural model of the dimeric RC-LH1 complex. Two models depict vesicles consisting of 9 or 18 dimeric RC-LH1 complexes and 144 or 101 LH2 complexes, representing a total of 3,879 or 4,464 bacteriochlorophylls, respectively. The in silico reconstructions permit a detailed description of light absorption and electronic excitation migration, including computation of a 50-ps excitation lifetime and a 95% quantum efficiency for one of the model membranes, and demonstration of excitation sharing within the closely packed RC-LH1 dimer arrays.

  13. Solving the scattering of N photons on a two-level atom without computation

    Science.gov (United States)

    Roulet, Alexandre; Scarani, Valerio

    2016-09-01

    We propose a novel approach for solving the scattering of light onto a two-level atom coupled to a one-dimensional waveguide. First we express the physical quantity of interest in terms of Feynman diagrams and treat the atom as a non-saturable linear beamsplitter. By using the atomic response to our advantage, a relevant substitution is then made that captures the nonlinearity of the atom, and the final result is obtained in terms of simple integrals over the initial incoming wavepackets. The procedure is not limited to post-scattering quantities and allows for instance to derive the atomic excitation during the scattering event.

  14. Atomic-Level Understanding of "Asymmetric Twins" in Boron Carbide

    Science.gov (United States)

    Xie, Kelvin Y.; An, Qi; Toksoy, M. Fatih; McCauley, James W.; Haber, Richard A.; Goddard, William A.; Hemker, Kevin J.

    2015-10-01

    Recent observations of planar defects in boron carbide have been shown to deviate from perfect mirror symmetry and are referred to as "asymmetric twins." Here, we demonstrate that these asymmetric twins are really phase boundaries that form in stoichiometric B4C (i.e., B12C3 ) but not in B13C2 . TEM observations and ab initio simulations have been coupled to show that these planar defects result from an interplay of stoichiometry, atomic positioning, icosahedral twinning, and structural hierarchy. The composition of icosahedra in B4C is B11C and translation of the carbon atom from a polar to equatorial site leads to a shift in bonding and a slight distortion of the lattice. No such distortion is observed in boron-rich B13C2 because the icosahedra do not contain carbon. Implications for tailoring boron carbide with stoichiometry and extrapolations to other hierarchical crystalline materials are discussed.

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

    DEFF Research Database (Denmark)

    Deiana, Davide

    by means of ex situ Scanning Transmission Electron Microscopy (STEM) in combination with in situ indirect nanoplasmonic sensing. Secondly, electron microscopy imaging and spectroscopy have been used for the characterisation of novel metal alloy nanoparticle electrocatalysts for the Oxygen Reduction......This thesis presents the application of transmission electron microscopy techniques towards the characterisation of novel metal nanoparticle catalysts. Two main subjects have been covered: first, the sintering-resistance behaviour of monomodal mass-selected Pt cluster catalysts have been studied...... peroxide H2O2. The active surface is predicted to be formed by reactive Pt or Pd atoms surrounded by more inert Hg atoms. Electrochemical measurements on the two catalysts have shown performance exceeding the current state-of-the-art in both forms of extended surface and nanoparticles. Electron microscopy...

  16. Atomic-Level Understanding of "Asymmetric Twins" in Boron Carbide.

    Science.gov (United States)

    Xie, Kelvin Y; An, Qi; Toksoy, M Fatih; McCauley, James W; Haber, Richard A; Goddard, William A; Hemker, Kevin J

    2015-10-23

    Recent observations of planar defects in boron carbide have been shown to deviate from perfect mirror symmetry and are referred to as "asymmetric twins." Here, we demonstrate that these asymmetric twins are really phase boundaries that form in stoichiometric B(4)C (i.e., B(12)C(3)) but not in B(13)C(2). TEM observations and ab initio simulations have been coupled to show that these planar defects result from an interplay of stoichiometry, atomic positioning, icosahedral twinning, and structural hierarchy. The composition of icosahedra in B(4)C is B(11)C and translation of the carbon atom from a polar to equatorial site leads to a shift in bonding and a slight distortion of the lattice. No such distortion is observed in boron-rich B(13)C(2) because the icosahedra do not contain carbon. Implications for tailoring boron carbide with stoichiometry and extrapolations to other hierarchical crystalline materials are discussed.

  17. Energy Levels of a Positronium Negative Ion

    Institute of Scientific and Technical Information of China (English)

    段斌; 顾晓艳; 马中骐

    2001-01-01

    The energy levels of a positronium negative ion are calculated directly from the Schrodinger equation. After removing the translational and rotational degrees of freedom, only three internal variables are involved in both functions and equations. The singularity of the solution is eliminated by choosing the right internal variables, and the series in calculation converges very fast.

  18. Atomic-level mapping of antibody epitopes on a GPCR.

    Science.gov (United States)

    Paes, Cheryl; Ingalls, Jada; Kampani, Karan; Sulli, Chidananda; Kakkar, Esha; Murray, Meredith; Kotelnikov, Valery; Greene, Tiffani A; Rucker, Joseph B; Doranz, Benjamin J

    2009-05-27

    Epitopes that define the immunodominant regions of conformationally complex integral membrane proteins have been difficult to reliably delineate. Here, a high-throughput approach termed shotgun mutagenesis was used to map the binding epitopes of five different monoclonal antibodies targeting the GPCR CCR5. The amino acids, and in some cases the atoms, that comprise the critical contact points of each epitope were identified, defining the immunodominant structures of this GPCR and their physicochemistry.

  19. A model for energy transfer in collisions of atoms with highly excited molecules.

    Science.gov (United States)

    Houston, Paul L; Conte, Riccardo; Bowman, Joel M

    2015-05-21

    A model for energy transfer in the collision between an atom and a highly excited target molecule has been developed on the basis of classical mechanics and turning point analysis. The predictions of the model have been tested against the results of trajectory calculations for collisions of five different target molecules with argon or helium under a variety of temperatures, collision energies, and initial rotational levels. The model predicts selected moments of the joint probability distribution, P(Jf,ΔE) with an R(2) ≈ 0.90. The calculation is efficient, in most cases taking less than one CPU-hour. The model provides several insights into the energy transfer process. The joint probability distribution is strongly dependent on rotational energy transfer and conservation laws and less dependent on vibrational energy transfer. There are two mechanisms for rotational excitation, one due to motion normal to the intermolecular potential and one due to motion tangential to it and perpendicular to the line of centers. Energy transfer is found to depend strongly on the intermolecular potential and only weakly on the intramolecular potential. Highly efficient collisions are a natural consequence of the energy transfer and arise due to collisions at "sweet spots" in the space of impact parameter and molecular orientation.

  20. Squeezing in the interaction of radiation with two-level atoms

    OpenAIRE

    Bandyopadhyay, Abir; Rai, Jagdish

    1995-01-01

    We propose a simple experimental procedure to produce squeezing and other non-classical properties like photon antibunching of radiation, and amplification without population inversion. The method also decreases the uncertainties of the angular-momentum quadratures representing the two-level atomic system in the interaction of the two-level atoms with quantized radiation.

  1. Atomic mean excitation energies for stopping powers from local plasma oscillator strengths

    Science.gov (United States)

    Wilson, J. W.; Xu, Y. J.; Chang, C. K.; Kamaratos, E.

    1984-01-01

    The stopping of a charged particle by isolated atoms is investigated theoretically using an 'atomic plasma' model in which atomic oscillator strengths are replaced by the plasma frequency spectrum. The plasma-frequency correction factor for individual electron motion proposed by Pines (1953) is incorporated, and atomic mean excitation energies are calculated for atoms through Sr. The results are compared in a graph with those obtained theoretically by Inokuti et al. (1978, 1981) and Dehmer et al. (1975) and with the experimental values compiled by Seltzer and Berger (1982): good agreement is shown.

  2. Presenting the Bohr Atom.

    Science.gov (United States)

    Haendler, Blanca L.

    1982-01-01

    Discusses the importance of teaching the Bohr atom at both freshman and advanced levels. Focuses on the development of Bohr's ideas, derivation of the energies of the stationary states, and the Bohr atom in the chemistry curriculum. (SK)

  3. Observation of a power-law energy distribution in atom-ion hybrid system

    Science.gov (United States)

    Meir, Ziv; Akerman, Nitzan; Sikorsky, Tomas; Ben-Shlomi, Ruti; Dallal, Yehonatan; Ozeri, Roee

    2016-05-01

    Understanding atom-ion collision dynamics is at the heart of the growing field of ultra-cold atom-ion physics. The naive picture of a hot ion sympathetically-cooled by a cold atomic bath doesn't hold due to the time dependent potentials generated by the ion Paul trap. The energy scale of the atom-ion system is determined by a combination of the atomic bath temperature, the ion's excess micromotion (EMM) and the back action of the atom-ion attraction on the ion's position in the trap. However, it is the position dependent ion's inherent micromotion which acts as an amplifier for the ion's energy during random consecutive collisions. Due to this reason, the ion's energy distribution deviates from Maxwell-Boltzmann (MB) characterized by an exponential tail to one with power-law tail described by Tsallis q-exponential function. Here we report on the observation of a strong deviation from MB to Tsallis energy distribution of a trapped ion. In our experiment, a ground-state cooled 88 Sr+ ion is immersed in an ultra-cold cloud of 87 Rb atoms. The energy scale is determined by either EMM or solely due to the back action on the ion position during a collision with an atom in the trap. Energy distributions are obtained using narrow optical clock spectroscopy.

  4. Energy Spectra of the Confined Atoms Obtained by Using B-Splines

    Institute of Scientific and Technical Information of China (English)

    SHI Ting-Yun; BAO Cheng-Guang; LI Bai-Wen

    2001-01-01

    We have calculated the energy spectra of one- and two-electron atoms (ions) centered in an impenetrable spherical box by variational method with B-splines as basis functions. Accurate results are obtained for both large and small radii of confinement. The critical box radius of confined hydrogen atom is also calculated to show the usefulness of our method. A partial energy degeneracy in confined hydrogen atom is found when the radius of spherical box is equal to the distance at which a node of single-node wavefunctions of free hydrogen atom is located.

  5. Theoretical study of atoms by the electronic kinetic energy density and stress tensor density

    CERN Document Server

    Nozaki, Hiroo; Tachibana, Akitomo

    2016-01-01

    We analyze the electronic structure of atoms in the first, second and third periods using the electronic kinetic energy density and stress tensor density, which are local quantities motivated by quantum field theoretic consideration, specifically the rigged quantum electrodynamics. We compute the zero surfaces of the electronic kinetic energy density, which we call the electronic interfaces, of the atoms. We find that their sizes exhibit clear periodicity and are comparable to the conventional atomic and ionic radii. We also compute the electronic stress tensor density and its divergence, tension density, of the atoms, and discuss how their electronic structures are characterized by them.

  6. Polariton Analysis of a Four-Level Atom Strongly Coupled to a Cavity Mode

    CERN Document Server

    Rebic, S; Tan, S M

    2002-01-01

    We present a complete analytical solution for a single four-level atom strongly coupled to a cavity field mode and driven by external coherent laser fields. The four-level atomic system consists of a three-level subsystem in an EIT configuration, plus an additional atomic level; this system has been predicted to exhibit a photon blockade effect. The solution is presented in terms of polaritons. An effective Hamiltonian obtained by this procedure is analyzed from the viewpoint of an effective two-level system, and the dynamic Stark splitting of dressed states is discussed. The fluorescence spectrum of light exiting the cavity mode is analyzed and relevant transitions identified.

  7. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral atoms: Theory, comparisons, and application to Ca

    CERN Document Server

    Barklem, Paul S

    2016-01-01

    A theoretical method for the estimation of cross sections and rates for excitation and charge transfer processes in low-energy hydrogen atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent interactions in the neutral atom-hydrogen atom system, is presented. The calculation of potentials and non-adiabatic radial couplings using the method is demonstrated. The potentials are used together with the multi-channel Landau-Zener model to calculate cross sections and rate coefficients. The main feature of the method is that it employs asymptotically exact atomic wavefunctions, which can be determined from known atomic parameters. The method is applied to Li+H, Na+H, and Mg+H collisions, and the results compare well with existing detailed full-quantum calculations. The method is applied to the astrophysically important problem of Ca+H collisions, and rate coefficients are calculated for temperatures in the range 1000-20000 K.

  8. Large energy mode locking of an erbium-doped fiber laser with atomic layer graphene.

    Science.gov (United States)

    Zhang, H; Tang, D Y; Zhao, L M; Bao, Q L; Loh, K P

    2009-09-28

    We report on large energy pulse generation in an erbium-doped fiber laser passively mode-locked with atomic layer graphene. Stable mode locked pulses with single pulse energy up to 7.3 nJ and pulse width of 415 fs have been directly generated from the laser. Our results show that atomic layer graphene could be a promising saturable absorber for large energy mode locking.

  9. Fermi level stabilization energy in cadmium oxide

    Energy Technology Data Exchange (ETDEWEB)

    Speaks, D. T.; Mayer, M. A.; Yu, K. M.; Mao, S. S.; Haller, E. E.; Walukiewicz, W.

    2010-04-08

    We have studied the effects of high concentrations of native point defects on the electrical and optical properties of CdO. The defects were introduced by irradiation with high energy He+, Ne+, Ar+ and C+ ions. Increasing the irradiation damage with particles heavier than He+ increases the electron concentration until a saturation level of 5x1020 cm-3 is reached. In contrast, due to the ionic character and hence strong dynamic annealing of CdO, irradiation with much lighter He+ stabilizes the electron concentration at a much lower level of 1.7x1020 cm-3. A large shift of the optical absorption edge with increasing electron concentration in irradiated samples is explained by the Burstein-Moss shift corrected for electron-electron and electron-ion interactions. The saturation of the electron concentration and the optical absorption edge energy are consistent with a defect induced stabilization of the Fermi energy at 1 eV above the conduction band edge. The result is in a good agreement with previously determined Fermi level pinning energies on CdO surfaces. The results indicate that CdO shares many similarities with InN, as both materials exhibit extremely large electron affinities and an unprecedented propensity for n-type conductivity.

  10. Multimillion-atom molecular dynamics simulation of atomic level stresses in Si(111)/Si3N4(0001) nanopixels

    Science.gov (United States)

    Bachlechner, Martina E.; Omeltchenko, Andrey; Nakano, Aiichiro; Kalia, Rajiv K.; Vashishta, Priya; Ebbsjö, Ingvar; Madhukar, Anupam; Messina, Paul

    1998-04-01

    Ten million atom multiresolution molecular-dynamics simulations are performed on parallel computers to determine atomic-level stress distributions in a 54 nm nanopixel on a 0.1 μm silicon substrate. Effects of surfaces, edges, and lattice mismatch at the Si(111)/Si3N4(0001) interface on the stress distributions are investigated. Stresses are found to be highly inhomogeneous in the nanopixel. The top surface of silicon nitride has a compressive stress of +3 GPa and the stress is tensile, -1 GPa, in silicon below the interface.

  11. Energy Levels of Coupled Plasmonic Cavities

    Institute of Scientific and Technical Information of China (English)

    Chuan-Pu Liu; Xin-Li Zhu; Jia-Sen Zhang; Jun Xu; Yamin Leprince-Wang; Da-Peng Yu

    2016-01-01

    We demonstrate the hybridization of the plasmonic modes in directly coupled whispering gallery cavities fabricated on silver films and present the mode patterns and energy levels using cathodoluminescence spectroscopy.Although the energy of the most antisymmetrically coupled modes is higher than that of the corresponding symmetrically coupled ones,the contrary cases happen for small quantum number modes.We attribute the phenomenon to the different surface plasmon polariton paths between the symmetrically and antisymmetrically coupled modes.These results provide an understanding of the resonant properties in coupled plasmonic cavities,which have potential applications in nanophotonic devices.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-09-14

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

  13. Calculation of Energies of the Ground and Low Excited States of a Confined Helium Atom in a Spherical Parabolic Well

    Institute of Scientific and Technical Information of China (English)

    XIE Wen-Fang

    2006-01-01

    @@ Making use of the adiabatic hyperspherical approach, we report a calculation for the energy spectrum of the ground and low-excited states of the confined helium atom in a spherical parabolic well. We find that the energies of a spherical parabolic well are in good agreement with those of an impenetrable spherical box for the larger confined potential radius. However, the energy values of a spherical parabolic well are much lower than those of an impenetrable spherical box for small values of re. We also find that the confinement may cause accidental degeneracies between levels with different low-excited states and the inversion of the energy values.

  14. Semiclassical electrodynamics of alien atoms in interacting media II. Two-level systems

    Science.gov (United States)

    Elçi, Ahmet

    1985-03-01

    The previously developed self-consistent mean field theory of atoms entering an interacting medium is specialized to two-level alien atoms. It is shown that the medium may invert or split the original two levels, and that there is an intimate connection between the dressed atom spectrum and the statistical nature of the ensemble of alien atoms in the self-consistent mean field approximation. The optical susceptibility of alien atoms while inside the medium is calculated, and the lineshape and position of the optical resonance are shown to depend on the intensity of the optical field applied. There may be more than one phase possible for the atomic ensemble as a result of optical excitation.

  15. Resonance interaction energy between two accelerated identical atoms in a coaccelerated frame and the Unruh effect

    CERN Document Server

    Zhou, Wenting; Rizzuto, Lucia

    2016-01-01

    We investigate the resonance interaction energy between two uniformly accelerated identical atoms, interacting with the scalar field or the electromagnetic field in the vacuum state, in the reference frame coaccelerating with the atoms. We assume that one atom is excited and the other in the ground state, and that they are prepared in their correlated symmetric or antisymmetric state. Using perturbation theory, we separate, at the second order in the atom-field coupling, the contributions of vacuum fluctuations and radiation reaction field to the energy shift of the interacting system. We show that only the radiation reaction term contributes to the resonance interaction between the two atoms, while Unruh thermal fluctuations, related to the vacuum fluctuations contribution, do not affect the resonance interatomic interaction. We also show that the resonance interaction between two uniformly accelerated atoms, recently investigated in the comoving (locally inertial) frame, can be recovered in the coaccelerate...

  16. A compact laser-driven plasma accelerator for megaelectronvolt-energy neutral atoms

    Science.gov (United States)

    Rajeev, R.; Madhu Trivikram, T.; Rishad, K. P. M.; Narayanan, V.; Krishnakumar, E.; Krishnamurthy, M.

    2013-03-01

    Tremendous strides have been made in charged-particle acceleration using intense, ultrashort laser pulses. Accelerating neutral atoms is an important complementary technology because such particles are unaffected by electric and magnetic fields and can thus penetrate deeper into a target than ions. However, compact laser-based accelerators for neutral atoms are limited at best to millielectronvolt energies. Here, we report the generation of megaelectronvolt-energy argon atoms from an optical-field-ionized dense nanocluster ensemble. Measurements reveal that nearly every laser-accelerated ion is converted to an energetic neutral atom as a result of highly efficient electron transfer from Rydberg excited clusters, within a sheath around the laser focus. This process, although optimal in nanoclusters, is generic and adaptable to most laser-produced plasmas. Such compact laser-driven energetic neutral atom sources could have applications in fast atom lithography for surface science and tokamak diagnostics in plasma technology.

  17. Atom Localization in two and three dimensions via level populations in an M-type atomic system

    CERN Document Server

    Chaudhari, Nilesh

    2014-01-01

    Schemes for two-dimensional (2D) and three-dimensional (3D) atomic states localization in a five level M-type system using standing-wave laser fields are presented. In the upper two levels of the system we see a `coupled' localization for both 2D and 3D case. Here, the state in which majority of population will be found depends on the sign of the detunings between the upper levels and the intermediate level. The experimental implementation of the scheme using the D2 line of Rb is also proposed.

  18. Low-energy Scattering of Positronium by Atoms

    Science.gov (United States)

    Ray, Hasi

    2007-01-01

    The survey reports theoretical studies involving positronium (Ps) - atom scattering. Investigations carried out in last few decades have been briefly reviewed in this article. A brief description of close-coupling approximation (CCA), the first-Born approximation (FBA) and the Born-Oppenheimer approximation (BOA) for Ps-Atom systems are made. The CCA codes of Ray et a1 [1-6] are reinvestigated using very fine mesh-points to search for resonances. The article advocates the need for an extended basis set & a systematic study using CCAs.

  19. Theoretical treatment of the interaction between two-level atoms and periodic waveguides

    CERN Document Server

    Zang, Xiaorun

    2015-01-01

    Light transport in periodic waveguides coupled to a two-level atom is investigated. By using optical Bloch equations and a photonic modal formalism, we derive semi-analytical expressions for the scattering matrix of one atom trapped in a periodic waveguide. The derivation is general, as the expressions hold for any periodic photonic or plasmonic waveguides. It provides a basic building block to study collective effects arising from photon-mediated multi-atom interactions in periodic waveguides.

  20. Entanglement and coherence of a three-level atom in Λ configuration interacting with two fields

    Institute of Scientific and Technical Information of China (English)

    Zhang Jian-Song; Xu Jing-Bo

    2009-01-01

    We investigate the entanglement of a three-level atom in A configuration interacting with two quantized field modes by using logarithmic negativity. Then, we study the relationship of the atomic coherence and the entanglement between two fields which are initially prepared in vacuum or thermal states. We find that if the two fields are prepared in thermal states, the atomic coherence can induce the entanglement between two thermal fields. However, there is no coherence-induced entanglement between two vacuum fields.

  1. Energy level statistics of quantum dots.

    Science.gov (United States)

    Tsau, Chien-Yu; Nghiem, Diu; Joynt, Robert; Woods Halley, J

    2007-05-08

    We investigate the charging energy level statistics of disordered interacting electrons in quantum dots by numerical calculations using the Hartree approximation. The aim is to obtain a global picture of the statistics as a function of disorder and interaction strengths. We find Poisson statistics at very strong disorder, Wigner-Dyson statistics for weak disorder and interactions, and a Gaussian intermediate regime. These regimes are as expected from previous studies and fundamental considerations, but we also find interesting and rather broad crossover regimes. In particular, intermediate between the Gaussian and Poisson regimes we find a two-sided exponential distribution for the energy level spacings. In comparing with experiment, we find that this distribution may be realized in some quantum dots.

  2. Energy level statistics of quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Tsau, C-Y [University of Wisconsin-Madison, Madison, WI 53706 (United States); Nghiem, Diu [University of Wisconsin-Madison, Madison, WI 53706 (United States); Joynt, Robert [University of Wisconsin-Madison, Madison, WI 53706 (United States); Halley, J Woods [School of Physics and Astronomy, University of Minnesota, Minneapolis, MN 55455 (United States)

    2007-05-08

    We investigate the charging energy level statistics of disordered interacting electrons in quantum dots by numerical calculations using the Hartree approximation. The aim is to obtain a global picture of the statistics as a function of disorder and interaction strengths. We find Poisson statistics at very strong disorder, Wigner-Dyson statistics for weak disorder and interactions, and a Gaussian intermediate regime. These regimes are as expected from previous studies and fundamental considerations, but we also find interesting and rather broad crossover regimes. In particular, intermediate between the Gaussian and Poisson regimes we find a two-sided exponential distribution for the energy level spacings. In comparing with experiment, we find that this distribution may be realized in some quantum dots.

  3. Energy level statistics of quantum dots

    Science.gov (United States)

    Tsau, Chien-Yu; Nghiem, Diu; Joynt, Robert; Halley, J. Woods

    2007-05-01

    We investigate the charging energy level statistics of disordered interacting electrons in quantum dots by numerical calculations using the Hartree approximation. The aim is to obtain a global picture of the statistics as a function of disorder and interaction strengths. We find Poisson statistics at very strong disorder, Wigner-Dyson statistics for weak disorder and interactions, and a Gaussian intermediate regime. These regimes are as expected from previous studies and fundamental considerations, but we also find interesting and rather broad crossover regimes. In particular, intermediate between the Gaussian and Poisson regimes we find a two-sided exponential distribution for the energy level spacings. In comparing with experiment, we find that this distribution may be realized in some quantum dots.

  4. (e, 3e) reactions at moderate energies visualization of average field effects in atom

    CERN Document Server

    Kuzakov, K A; Gusev, A A; Popov, Y V; Vinitsky, S I

    2002-01-01

    In the case of helium atom the theory is presented for quasi-elastic A (e, 3e) A sup + sup + and A (e, 3 -1e) A sup + sup + atomic reactions in the coplanar symmetric geometry at incident electron energy of several hundreds eV. The comparison with the recent (e, 3 - 1 e) experiment has allowed one to observe the effect of the mean atomic field as well as postcollisional effects.

  5. Eighteenth Semiannual Report of the Commission to the Congress. Major Activities in the Atomic Energy Programs, January - June 1955

    Energy Technology Data Exchange (ETDEWEB)

    Strauss, Lewis L.

    1955-07-30

    The document represents the eighteenth semiannual Atomic Energy Commission (AEC) report to Congress. The report sums up the major activities and developments in the national atomic energy program covering the period January - June 1955.

  6. Fourteenth Semiannual Report of the Commission to the Congress. Major Activities in the Atomic Energy Programs, January - June 1953

    Energy Technology Data Exchange (ETDEWEB)

    Dean, Gordon

    1953-07-31

    The document represents the fourteenth semiannual Atomic Energy Commission (AEC) report to Congress. The report sums up the major activities and developments in the national atomic energy program covering the period January - June 1953.

  7. Twelfth Semiannual Report of the Commission to the Congress. Major Activities in the Atomic Energy Programs, January - June 1952

    Energy Technology Data Exchange (ETDEWEB)

    Dean, Gordon

    1952-07-01

    The document represents the twelfth semiannual Atomic Energy Commission (AEC) report to Congress. The report sums up the major activities and developments in the national atomic energy program covering the period January - June 1952.

  8. Fifteenth Semiannual Report of the Commission to the Congress. Major Activities in the Atomic Energy Programs, July - December 1953

    Energy Technology Data Exchange (ETDEWEB)

    Dean, Gordon

    1954-01-31

    The document represents the fifteenth semiannual Atomic Energy Commission (AEC) report to Congress. The report sums up the major activities and developments in the national atomic energy program covering the period July - December 1953.

  9. Spontaneous emission spectrum of a three-level atom embedded in photonic crystal

    Institute of Scientific and Technical Information of China (English)

    刘国强; 王健; 张汉壮

    2005-01-01

    The two models of three-level (one upper level and two lower levels, or two upper levels and one lower level) atom embedded in a double-band photonic crystal are adopted. The atomic transitions from the upper levels to the lower levels are assumed to be coupled by the same reservoir which are respectively the isotropic photonic band gap (PBG)modes, the anisotropic PBG modes and the free vacuum modes. The effects of the fine structure of the atomic ground state levels in the model with one upper level and two lower levels, and the quantum interferences in the model with two upper levels and one lower level on the spontaneous emission spectrum of an atom are investigated in detail. Most interestingly, it is shown that new spontaneous emission lines are produced from the fine splitting of atomic ground state levels in the isotropic PBG case. The quantum interferences induce additional narrow spontaneous lines near the transition from the empty upper level to the lower level.

  10. Structure and dynamics of interfaces in organic and inorganic materials using atomic level simulation

    Science.gov (United States)

    Lee, Donghwa

    Interfaces in materials play a key role for industrial applications. The structures and dynamics at various interfaces including ferroelectric domain walls, gas-organic interface, organic-semiconductor interface and metal-gas interface are investigated with different atomic levels of simulation approaches. Ferroelectricity: Due to their unique ferroelectric and nonlinear optical properties, trigonal ferroelectrics such as LiNbO3 and LiTaO 3, are of wide interest for their potential applications in optoelectronics and nonlinear optics. The properties of these materials are heavily influenced by the shape of ferroelectric domains and domain walls. Therefore, investigation of the local structure and energetics of the ferroelectric domain walls and their interaction with defects on atomic scales, which is not clearly understood, is extremely important. The structure and energetics of ferroelectric domain walls in LiNbO 3 are examined using density functional theory (DFT) and molecular dynamics (MD) methods. The energetically favorable structures of 180° domain walls and the activation energy for domain wall motion are determined by atomic level simulations. The variation of polarization due to the presence of domain walls is also discussed. Defects can be pinned by domain walls. Various defects-domain walls interactions and the effects on domain wall motion are described using atomic level simulation methods. Although the structure of LiTaO3 is very similar with LiNbO3, it has been said experimentally that the shapes of domain walls are different with the presence of particular defects. Using both DFT and a newly developed interatomic potential for LiTaO 3, the differences in domain wall structure are understood in terms of the difference in energetics of domain walls between two materials. Polymerization: Surface polymerization by ion-assisted deposition (SPIAD) enables the control of thin film chemistry and morphology on the nanoscale during growth of conductive

  11. Software Package Completed for Alloy Design at the Atomic Level

    Science.gov (United States)

    Bozzolo, Guillermo H.; Noebe, Ronald D.; Abel, Phillip B.; Good, Brian S.

    2001-01-01

    As a result of a multidisciplinary effort involving solid-state physics, quantum mechanics, and materials and surface science, the first version of a software package dedicated to the atomistic analysis of multicomponent systems was recently completed. Based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of alloy and surface energetics, this package includes modules devoted to the analysis of many essential features that characterize any given alloy or surface system, including (1) surface structure analysis, (2) surface segregation, (3) surface alloying, (4) bulk crystalline material properties and atomic defect structures, and (5) thermal processes that allow us to perform phase diagram calculations. All the modules of this Alloy Design Workbench 1.0 (ADW 1.0) are designed to run in PC and workstation environments, and their operation and performance are substantially linked to the needs of the user and the specific application.

  12. High-Speed Generation of Entangled States for Two Three-Level Atoms

    Institute of Scientific and Technical Information of China (English)

    ZHENG Shi-Biao

    2007-01-01

    A scheme is presented for generating entangled states for two three-level atoms in a cavity. In the scheme two atoms simultaneously interact with a cavity mode with a small detuning. Thus, the operation time is very short,which is important in view of decoherence.

  13. Cavity quantum electrodynamics with quantum interference in a three-level atomic system

    Science.gov (United States)

    Joshi, Amitabh; Serna, Juan D.

    2017-06-01

    Spontaneously generated coherence and enhanced dispersion in a V-type, three-level atomic system interacting with a single mode field can considerably reduce the radiative and cavity decay rates. This may eliminate the use of high finesse, miniaturized cavities in optical cavity quantum electrodynamics experiments under strong atom-field coupling conditions.

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

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jian-Song; XU Jing-Bo

    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.

  15. Interactions of satellite-speed helium atoms with satellite surfaces. 2: energy distributions of reflected helium atoms. [7000 m/s

    Energy Technology Data Exchange (ETDEWEB)

    Liu, S.M.; Knuth, E.L.

    1976-04-01

    Energy transfer in collisions of satellite-speed (7,000 m/s) helium atoms with a cleaned 6061-T6 satellite-type aluminum surface was investigated by use of the molecular-beam technique. The amount of energy transferred was determined from the measured energy of the molecular-beam and the measured spatial and energy distributions of the reflected atoms. Spatial distributions of helium atoms scattered from a 6061-T6 aluminum surface were measured. The scattering pattern exhibits a prominent backscattering, probably due to the gross surface roughness and/or the relative lattice softness of the aluminum surface. Energy distributions of reflected helium atoms from the same surface were measured for six different incidence angles. For each incidence angle, distributions were measured at approximately sixty scattering positions. At a given scattering position, the energy spectra of the reflected helium atoms and the background gas were obtained by use of the retarding-field energy analyzer. (auth)

  16. Seventh Semiannual Report of the Commission to the Congress: Atomic Energy and the Physical Sciences, January 1950

    Energy Technology Data Exchange (ETDEWEB)

    Lilienthal, David E.

    1950-01-01

    The document represents the seventh semiannual Atomic Energy Commission (AEC) report to Congress. The report sums up briefly the major activities and developments in the national atomic energy program in Part I. Part II focuses on research in the physical sciences and progress in atomic energy.

  17. Observation of three-level rectified dipole forces acting on trapped atoms

    Science.gov (United States)

    Grove, T. T.; Duncan, B. C.; Sanchez-Villicana, V.; Gould, P. L.

    1995-06-01

    We have observed rectified dipole forces acting on three-level atoms in the cascade configuration. Laser cooled and trapped rubidium atoms are illuminated with an intense bichromatic standing wave (780 and 776 nm) tuned near resonance with the 5S1/2-->5P3/2-->5D5/2 transitions. The resulting rectified forces produce periodic potential wells (71-μm period), which localize the cold atoms. Experimental results are in reasonable agreement with theoretical predictions. These forces may be useful in atom optics and laser traps.

  18. Electromagnetically induced transparency and controllable group velocity in a five-level atomic system

    Institute of Scientific and Technical Information of China (English)

    Lihui Jin; Shangqing Gong; Yueping Niu; Shiqi Jin

    2006-01-01

    @@ The optical properties of a five-level atomic system composed of a A-type four-level atomic and a tripod four-level atomic systems are investigated. It is found that the behaviors of electromagnetically induced transparency (EIT) and group velocity can be controlled by choosing appropriate parameters with the interacting dark resonances. In particular, when all the fields are on resonance, the slow light at the symmetric transparency windows with a much broader EIT width is obtained by tuning the intensity of the coupling field in comparison with its sub-system, which provides potential applications in quantum storage and retrieval of light.

  19. Experimental evidence of the decrease of kinetic energy of hadrons in passing through atomic nuclei

    Science.gov (United States)

    Strugalski, Z.

    1985-01-01

    Hadrons with kinetic energies higher than the pion production threshold lose their kinetic energies monotonically in traversing atomic nuclei, due to the strong interactions in nuclear matter. This phenomenon is a crude analogy to the energy loss of charged particles in their passage through materials. Experimental evidence is presented.

  20. Coupling of effective one-dimensional two-level atoms to squeezed light

    CERN Document Server

    Clark, S; Clark, Stephen; Parkins, Scott

    2002-01-01

    A cavity QED system is analyzed which duplicates the dynamics of a two-level atom in free space interacting exclusively with broadband squeezed light. We consider atoms in a three or four-level Lambda-configuration coupled to a high-finesse optical cavity which is driven by a squeezed light field. Raman transitions are induced between a pair of stable atomic ground states via the squeezed cavity mode and coherent driving fields. An analysis of the reduced master equation for the atomic ground states shows that a three-level atomic system has insufficient parameter flexibility to act as an effective two-level atom interacting exclusively with a squeezed reservoir. However, the inclusion of a fourth atomic level, coupled dispersively to one of the two ground states by an auxiliary laser field, introduces an extra degree of freedom and enables the desired interaction to be realised. As a means of detecting the reduced quadrature decay rate of the effective two-level system, we examine the transmission spectrum o...

  1. Field ionization of free helium atoms: Correlation between the kinetic energy of ionized atoms and probability of their field ionization

    Energy Technology Data Exchange (ETDEWEB)

    Piskur, J.; Borg, L. [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria); Stupnik, A.; Leisch, M. [Institute of Solid State Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria); Ernst, W.E. [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria); Holst, B. [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria)], E-mail: bodil@cantab.net

    2008-05-15

    In this paper the correlation between the kinetic energy of helium atoms and the probability of field ionization is investigated by exploiting the narrow velocity distribution of supersonic molecular beams. Field ionization measurements were carried out on supersonic helium beams at 298 K and 95 K corresponding to energies of about 65 meV and 20 meV, respectively, for the individual atoms. The field ionization was performed with a tungsten tip, radius of curvature 12 nm, kept at room temperature. The ionization probability was found to increase by about a factor 10 when the beam was cooled from 298 K to 95 K. The results presented in this paper are of importance for improving the understanding of field ionization and for the development of a new detector for helium and other molecular beams.

  2. Field ionization of free helium atoms: Correlation between the kinetic energy of ionized atoms and probability of their field ionization

    Science.gov (United States)

    Piskur, J.; Borg, L.; Stupnik, A.; Leisch, M.; Ernst, W. E.; Holst, B.

    2008-05-01

    In this paper the correlation between the kinetic energy of helium atoms and the probability of field ionization is investigated by exploiting the narrow velocity distribution of supersonic molecular beams. Field ionization measurements were carried out on supersonic helium beams at 298 K and 95 K corresponding to energies of about 65 meV and 20 meV, respectively, for the individual atoms. The field ionization was performed with a tungsten tip, radius of curvature 12 nm, kept at room temperature. The ionization probability was found to increase by about a factor 10 when the beam was cooled from 298 K to 95 K. The results presented in this paper are of importance for improving the understanding of field ionization and for the development of a new detector for helium and other molecular beams.

  3. Mr Parvez Butt, Chairman of the Atomic Energy Commission (PAEC), Pakistan

    CERN Multimedia

    Maximilien Brice

    2003-01-01

    Photo 01: Mr. Parvez Butt, Chairman Pakistan Atomic Energy Commission (standing 4th from left) with his delegation and ATLAS team standing in front of the Barrel Supports manufactured in HMC3 - Pakistan.

  4. The Scales of Time, Length, Mass, Energy, and Other Fundamental Physical Quantities in the Atomic World and the Use of Atomic Units in Quantum Mechanical Calculations

    Science.gov (United States)

    Teo, Boon K.; Li, Wai-Kee

    2011-01-01

    This article is divided into two parts. In the first part, the atomic unit (au) system is introduced and the scales of time, space (length), and speed, as well as those of mass and energy, in the atomic world are discussed. In the second part, the utility of atomic units in quantum mechanical and spectroscopic calculations is illustrated with…

  5. A two-level atom and the problem of the radiation reaction in the semiclassical theory: optical Bloch equations revisited

    Science.gov (United States)

    Surdutovich, G. I.; Ghiner, A. V.

    2000-08-01

    A famous model of a two-level atom interacting with the classical electromagnetic field is used to illustrate the fundamental problem of the relationship between the dynamical and relaxation processes under the interaction of radiation with a quantum-mechanical system and, as a result, to derive nonlinear Bloch-like equations. The presented considerations are based on the analysis of the balance of the fluxes of energy between atomic and field subsystems. It is shown that the generally accepted model of the exponential relaxation deduced for an isolated excited atom and inserted customarily into optical Bloch equations (OBE) describing atom in an external field always leads to a very strange result: spontaneous emission of an atom should be accompanied by the radiation of the coherent field into the external field's mode. Making use of only the energetic considerations, we found the relaxation mechanism (in the form of additional terms in the OBE) which, on the one hand, guarantees the fulfillment of the energetic balance and, on the other hand, allows to introduce arbitrary additional collision-like relaxation mechanism without violation of this balance. Note that these additional terms introduced into OBE from the energetic considerations in a remarkable manner exactly correspond to the renormalization of the external field with the allowance of the classical radiation damping (RD) effect. The revisited OBE may be used as the starting point for considering the dynamics of an atom by making allowance for the quantum properties of an external field.

  6. Pairwise energies for polypeptide coarse-grained models derived from atomic force fields

    Science.gov (United States)

    Betancourt, Marcos R.; Omovie, Sheyore J.

    2009-05-01

    The energy parametrization of geometrically simplified versions of polypeptides, better known as polypeptide or protein coarse-grained models, is obtained from molecular dynamics and statistical methods. Residue pairwise interactions are derived by performing atomic-level simulations in explicit water for all 210 pairs of amino acids, where the amino acids are modified to closer match their structure and charges in polypeptides. Radial density functions are computed from equilibrium simulations for each pair of residues, from which statistical energies are extracted using the Boltzmann inversion method. The resulting models are compared to similar potentials obtained by knowledge based methods and to hydrophobic scales, resulting in significant similarities in spite of the model simplicity. However, it was found that glutamine, asparagine, lysine, and arginine are more attractive to other residues than anticipated, in part, due to their amphiphilic nature. In addition, equally charged residues appear more repulsive than expected. Difficulties in the calculation of knowledge based potentials and hydrophobicity scale for these cases, as well as sensitivity of the force field to polarization effects are suspected to cause this discrepancy. It is also shown that the coarse-grained model can identify native structures in decoy databases nearly as well as more elaborate knowledge based methods, in spite of its resolution limitations. In a test conducted with several proteins and corresponding decoys, the coarse-grained potential was able to identify the native state structure but not the original atomic force field.

  7. Annual Report to Congress of the Atomic Energy Commission for 1964

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1965-01-29

    The document represents the 1964 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report is divided into 6 areas for 1964, plus 8 appendices and the index. Section names are: Part One, The Atomic Energy Program - 1964; Part Two, Production and Weapons Programs; Part Three, Nuclear Reactor Programs; Part Four, Other Major Activities; Part Five, Support-Type Activities; and Part Six, Regulatory Activities.

  8. Fourth Semiannual Report to the Congress by the United States Atomic Energy Commission, July 1948

    Energy Technology Data Exchange (ETDEWEB)

    Lilienthal, David E.; Bacher, Robert F.; Pike, Sumner T.; Strauss, Lewis L.; Waymack, William W.

    1948-07-01

    The document includes the letter of submittal and the Fourth semiannual report. These reports are called for pursuant to Section 17 of the Atomic Energy Act of 1946. This fourth report incorporates some changes to the report. In order to make these reports of maximum value to Members of Congress, the Commission has prepared this mid-year report as a specialized document giving a comprehensive account of several major phases of the atomic energy program.

  9. Quantum entanglement in the system of two two-level atoms interacting with a single-mode vacuum field

    Institute of Scientific and Technical Information of China (English)

    Zeng Ke; Fang Mao-Fa

    2005-01-01

    The entanglement properties of the system of two two-level atoms interacting with a single-mode vacuum field are explored. The quantum entanglement between two two-level atoms and a single-mode vacuum field is investigated by using the quantum reduced entropy; the quantum entanglement between two two-level atoms, and that between a single two-level atom and a single-mode vacuum field are studied in terms of the quantum relative entropy. The influences of the atomic dipole-dipole interaction on the quantum entanglement of the system are also discussed. Our results show that three entangled states of two atoms-field, atom-atom, and atom-field can be prepared via two two-level atoms interacting with a single-mode vacuum field.

  10. The industrial development of atomic energy; Le developpement industriel de l'energie atomique

    Energy Technology Data Exchange (ETDEWEB)

    Kowarski, L. [Commissariat a l' Energie Atomique, Paris (France). Centre d' Etudes Nucleaires

    1955-07-01

    Countries with large stock of fissile material and producing large quantity of nuclear pure {sup 235}U and {sup 239}Pu are able to allocate part of the stock to non military research. For countries with low stock of fissile material, all the stock is allocated to military research. An economical and technical solution has to be find to dedicate a part of fissile material to non military research and develop the atomic energy industry. It stated the industrial and economical problems and in particular the choice between the use of enriched fuel with high refining cost or depleted fuel with low production cost. It discusses of four possible utilizations of the natural resources: reactors functioning with pure fissile material ({sup 235}U or {sup 239}Pu) or concentrated material ({sup 235}U mixed with small quantities of {sup 238}U after an incomplete isotopic separation), breeder reactors functioning with enriched material mixed with {sup 238}U or Thorium placed in an appropriate spatial distribution to allow neutrons beam to activate {sup 238}U or Thorium with the regeneration of fissile material in {sup 239}Pu, reactors using natural uranium or low enriched uranium can also produce Plutonium with less efficiency than breeder reactors and the last solution being the use of natural uranium with the only scope of energy production and no production of secondary fissile material. The first class using pure fissile material has a low energy efficiency and is used only by large fissile material stock countries to accumulate energy in small size fuel for nuclear engines researches for submarines and warships. The advantage of the second class of reactors, breeder reactors, is that they produce energy and plutonium. Two type of breeder reactor are considered: breeder reactor using pure fissile material and {sup 238}U or breeder reactor using the promising mixture of pure fissile material and Thorium. Different projects are in phase of development in United States, England

  11. Ion-neutral chemistry at ultralow energies: Dynamics of reactive collisions between laser-cooled Ca^+ ions and Rb atoms in an ion-atom hybrid trap

    CERN Document Server

    Hall, Felix H J; Hegi, Gregor; Raoult, Maurice; Aymar, Mireille; Dulieu, Olivier; Willitsch, Stefan

    2013-01-01

    Cold chemical reactions between laser-cooled Ca^+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the range of collision energies /k_B = 20 mK-20 K. The lowest energies were achieved in experiments using single localized Ca^+ ions. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes in this system (non-radiative and radiative charge transfer as well as radiative association leading to the formation of CaRb^+ molecular ions) have been analyzed using high-level quantum-chemical calculations of the potential energy curves of CaRb^+ and quantum-scattering calculations for the radiative channels. For the present low-energy scattering experiments, it is shown that the energy dependence of the reaction rate constants is governed by long-range interactions in line with the classical Langevin model, but their magnitude is determined by short-range non-adiabatic and radiative couplings which only ...

  12. International Atomic Energy Agency intercomparison of ion beam analysis software

    Science.gov (United States)

    Barradas, N. P.; Arstila, K.; Battistig, G.; Bianconi, M.; Dytlewski, N.; Jeynes, C.; Kótai, E.; Lulli, G.; Mayer, M.; Rauhala, E.; Szilágyi, E.; Thompson, M.

    2007-09-01

    Ion beam analysis (IBA) includes a group of techniques for the determination of elemental concentration depth profiles of thin film materials. Often the final results rely on simulations, fits and calculations, made by dedicated codes written for specific techniques. Here we evaluate numerical codes dedicated to the analysis of Rutherford backscattering spectrometry, non-Rutherford elastic backscattering spectrometry, elastic recoil detection analysis and non-resonant nuclear reaction analysis data. Several software packages have been presented and made available to the community. New codes regularly appear, and old codes continue to be used and occasionally updated and expanded. However, those codes have to date not been validated, or even compared to each other. Consequently, IBA practitioners use codes whose validity, correctness and accuracy have never been validated beyond the authors' efforts. In this work, we present the results of an IBA software intercomparison exercise, where seven different packages participated. These were DEPTH, GISA, DataFurnace (NDF), RBX, RUMP, SIMNRA (all analytical codes) and MCERD (a Monte Carlo code). In a first step, a series of simulations were defined, testing different capabilities of the codes, for fixed conditions. In a second step, a set of real experimental data were analysed. The main conclusion is that the codes perform well within the limits of their design, and that the largest differences in the results obtained are due to differences in the fundamental databases used (stopping power and scattering cross section). In particular, spectra can be calculated including Rutherford cross sections with screening, energy resolution convolutions including energy straggling, and pileup effects, with agreement between the codes available at the 0.1% level. This same agreement is also available for the non-RBS techniques. This agreement is not limited to calculation of spectra from particular structures with predetermined

  13. Probe spectrum of a four-level atom in a double-band photonic crystal

    Institute of Scientific and Technical Information of China (English)

    Wen Qing-Bo; Wang Jian; Zhang Han-Zhuang

    2004-01-01

    In this paper, the probe absorption spectrum of an atom in a double-band photonic crystal have been studied. In the modes, we assume that one of the two atomic transitions in a A-type atomic system is interacting with free vacuum modes, and another transition is interacting with free vacuum modes, isotropic photonic band gap (PBG) modes and anisotropic PBG modes, separately. The effects of the fine structure of the atomic lower levels on the probe absorption spectrum are investigated in detail in the three cases. The most interesting thing is that the two (four) transparencies at one (two) probe absorption peak(s), caused by the fine structure of the lower levels of an atom, are predicted in the case of isotropic PBG modes.

  14. Functional group based Ligand binding affinity scoring function at atomic environmental level

    OpenAIRE

    Varadwaj, Pritish Kumar; Lahiri, Tapobrata

    2009-01-01

    Use of knowledge based scoring function (KBSF) for virtual screening and molecular docking has become an established method for drug discovery. Lack of a precise and reliable free energy function that describes several interactions including water-mediated atomic interaction between amino-acid residues and ligand makes distance based statistical measure as the only alternative. Till now all the distance based scoring functions in KBSF arena use atom singularity concept, which neglects the env...

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

    Science.gov (United States)

    Rodríguez, Juan I; Ayers, Paul W; Götz, Andreas W; Castillo-Alvarado, F L

    2009-07-14

    A new approach for computing the atom-in-molecule [quantum theory of atoms in molecule (QTAIM)] energies in Kohn-Sham density-functional theory is presented and tested by computing QTAIM energies for a set of representative molecules. In the new approach, the contribution for the correlation-kinetic energy (T(c)) is computed using the density-functional theory virial relation. Based on our calculations, it is shown that the conventional approach where atomic energies are computed using only the noninteracting part of the kinetic energy might be in error by hundreds of kJ/mol.

  16. Dynamic Behavior of Lambda-Type Three-Level Atoms and Two-Mode Cavity Field

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A system comprising of Lambda-type three-level atoms and the two-mode cavity field is considered in this paper. Under the adiabatical approximation and the large detuning condition, the effective Hamiltonian of the system in the interaction picture can be given out. If the two identical three-level atoms pass through the cavity in turn, the entangled state atoms can be generated. When the interaction time is taken to an appropriate value, the maximally entangled states are created. At the same time, the dynamic behaviors of the system are studied in detail.

  17. 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...... 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...

  18. Kinetic theory of (2+4)-level atom in σ+ -σ- laser fields

    Institute of Scientific and Technical Information of China (English)

    Yu Chuang; Yu De-Shui; Chen Jing-Biao

    2009-01-01

    The kinetic theory of (2+4)-level atoms in σ+ -σ- laser fields is presented.We systemically discuss friction coefficient,momentum diffusion tensor and atomic temperature based on the Fokker-Planck equation.This cooling system is much like that of a (1+3)-level atom,and the temperature is still limited to the Doppler temperature.Since this cooling system has not been investigated before,this work may be regarded as a necessary complement to the laser cooling theory.

  19. Production of dimeson atoms in high-energy collisions

    Science.gov (United States)

    Afanasyev, L.; Gevorkyan, S.; Voskresenskaya, O.

    2017-04-01

    The production of two-meson electromagnetic bound states and free meson pairs π^+π^- , K^+K^- , π^+K^{∓} in relativistic collisions has been considered. It is shown that using of exact Coulomb wave functions for dimeson atom (DMA) allows one to calculate the yield of discrete states with the desired accuracy. The relative probabilities of production of DMA and meson pairs in the free state are estimated. The amplitude of DMA transition from 1 S to 2 P state, which is essential for the pionium Lamb shift measurements, has been obtained.

  20. Production of dimeson atoms in high-energy collisions

    Energy Technology Data Exchange (ETDEWEB)

    Afanasyev, L.; Gevorkyan, S.; Voskresenskaya, O. [Joint Institute for Nuclear Research, Dubna (Russian Federation)

    2017-04-15

    The production of two-meson electromagnetic bound states and free meson pairs π{sup +}π{sup -}, K{sup +}K{sup -}, π{sup +}K{sup -+} in relativistic collisions has been considered. It is shown that using of exact Coulomb wave functions for dimeson atom (DMA) allows one to calculate the yield of discrete states with the desired accuracy. The relative probabilities of production of DMA and meson pairs in the free state are estimated. The amplitude of DMA transition from 1S to 2P state, which is essential for the pionium Lamb shift measurements, has been obtained. (orig.)

  1. Kinetic Energy Distribution of H(2p) Atoms from Dissociative Excitation of H2

    Science.gov (United States)

    Ajello, Joseph M.; Ahmed, Syed M.; Kanik, Isik; Multari, Rosalie

    1995-01-01

    The kinetic energy distribution of H(2p) atoms resulting from electron impact dissociation of H2 has been measured for the first time with uv spectroscopy. A high resolution uv spectrometer was used for the measurement of the H Lyman-alpha emission line profiles at 20 and 100 eV electron impact energies. Analysis of the deconvolved 100 eV line profile reveals the existence of a narrow line peak and a broad pedestal base. Slow H(2p) atoms with peak energy near 80 meV produce the peak profile, which is nearly independent of impact energy. The wings of H Lyman-alpha arise from dissociative excitation of a series of doubly excited Q(sub 1) and Q(sub 2) states, which define the core orbitals. The fast atom energy distribution peaks at 4 eV.

  2. Scaled-energy spectroscopy of a |M|=1 Rydberg barium atom in an electric field

    Institute of Scientific and Technical Information of China (English)

    Wang Lei; Quan Wei; Shen Li; Yang Hai-Feng; Shi Ting-Yun; Liu Xiao-Jun; Liu Hong-Ping; Zhan Ming-Sheng

    2009-01-01

    We observe strong energy-dependent quantum defects in the scaled-energy Stark spectra for |M|=1 Rydberg states of barium atoms at three scaled energies: ε= -2.000, ε= -2.500 and ε=-3.000. In an attempt to explain the observations, theoretical calculations of closed orbit theory based on a model potential including core effect are performed for non-hydrogenic atoms. While such a potential has been uniformly successful for alkali atoms with a single valence electron, it fails to match experimental results for barium atoms in the 6snp Rydberg states with two valence electrons. Our study points out that this discrepancy is due to the strong perturbation from the 5d8p state, which voids the simple approximation for constant quantum defects of principle quantum number n.

  3. A Combination of the Work Formalism for Exchange with an Optimized Correlation Energy Functional for Atoms

    Science.gov (United States)

    Cordero, N. A.; Sen, K. D.; Alonso, J. A.; Balbás, L. C.

    1995-09-01

    The Harbola-Sahni formalism for the exchange potential of many-electron systems gives extremely accurate total energies for atoms (the energies are practically indistinguishable from the Hartree-Fock energies). We combine here this formalism with the usual density functional prescription for the correlation potential, using a recently developed optimized local correlation functional (Gritsenko O.V. et al., Phys. Rev. A 47 (1993) 1811). Numerical tests carried out for several closed shell atoms and ions indicate that the results preserve the accuracy of the exchange-only calculations. We expect the same behavior to hold true for large molecules and atomic clusters. However, similar tests for the He, Be and Ne isoelectronic series indicate that the optimized local correlation functional is not valid for highly ionized atoms.

  4. Matter, energy, and heat transfer in a classical ballistic atom pump.

    Science.gov (United States)

    Byrd, Tommy A; Das, Kunal K; Mitchell, Kevin A; Aubin, Seth; Delos, John B

    2014-11-01

    A ballistic atom pump is a system containing two reservoirs of neutral atoms or molecules and a junction connecting them containing a localized time-varying potential. Atoms move through the pump as independent particles. Under certain conditions, these pumps can create net transport of atoms from one reservoir to the other. While such systems are sometimes called "quantum pumps," they are also models of classical chaotic transport, and their quantum behavior cannot be understood without study of the corresponding classical behavior. Here we examine classically such a pump's effect on energy and temperature in the reservoirs, in addition to net particle transport. We show that the changes in particle number, of energy in each reservoir, and of temperature in each reservoir vary in unexpected ways as the incident particle energy is varied.

  5. Atom probe tomography simulations and density functional theory calculations of bonding energies in Cu3Au

    KAUST Repository

    Boll, Torben

    2012-10-01

    In this article the Cu-Au binding energy in Cu3Au is determined by comparing experimental atom probe tomography (APT) results to simulations. The resulting bonding energy is supported by density functional theory calculations. The APT simulations are based on the Müller-Schottky equation, which is modified to include different atomic neighborhoods and their characteristic bonds. The local environment is considered up to the fifth next nearest neighbors. To compare the experimental with simulated APT data, the AtomVicinity algorithm, which provides statistical information about the positions of the neighboring atoms, is applied. The quality of this information is influenced by the field evaporation behavior of the different species, which is connected to the bonding energies. © Microscopy Society of America 2012.

  6. "Pseudo-invariant Eigen-operator" Method for Deriving Energy-Gap of an Atom-Cavity Jaynes-Cummings Hamiltonian with Atomic Centre-of-Mass Motion

    Institute of Scientific and Technical Information of China (English)

    FAN Hong-Yi; TANG Xu-Bing

    2006-01-01

    Using the "Pseudo-invariant eigen-operator" method we find the energy-gap of the Jaynes-Cummings Hamiltonian model of an atom-cavity system. This model takes the atomic centre-of-mass motion into account. The supersymmetric structure is involved in the Hamiltonian of an atom-cavity system. By selecting suitable supersymmetric generators and using supersymmetric transformation the Hamiltonian is diagonalized and energy eigenvectors are obtained.

  7. Phase-controlled atom-photon entanglement in a three-level ∧-type closed-loop atomic system

    Institute of Scientific and Technical Information of China (English)

    Ali Mortezapour; Zeinab Kordi; Mohammad Mahmoudi

    2013-01-01

    We study the entanglement of dressed atom and its spontaneous emission in a three-level A-type closed-loop atomic system in a multi-photon resonance condition and beyond it.It is shown that the von Neumann entropy in such a system is phase-dependent,and it can be controlled by either the intensity or relative phase of applied fields.It is demonstrated that for the special case of the Rabi frequency of applied fields,the system is disentangled.In addition,we take into account the effect of Doppler broadening on the entanglement and it is found that a suitable choice of laser propagation direction allows us to obtain the steady state degree of entanglement (DEM) even in the presence of the Doppler effect.

  8. Spontaneous emission spectrum of a four-level atom in a double-band photonic crystal

    Institute of Scientific and Technical Information of China (English)

    Wang Jian; Yang Dong; Zhang Han-Zhang

    2005-01-01

    The spontaneous emission spectrum from a four-level atom in a double-band photonic crystal has been investigated.We use the model which assumes three atomic transitions. One of the transitions interacts with the free vacuum modes,and the other two transitions couple to the modes of the isotropic photonic band gap (PBG), the anisotropic PBG and another free vacuum. The effects of the fine structure of the lower levels on the spontaneous emission spectrum of an atom are investigated in detail in the three cases. New features of four (two) transparencies with two (one) spontaneous emission peaks, resulting from the fine structure of the lower levels of an atom, are predicted in the case of isotropic PBG modes.

  9. Levitated nanoparticle as a classical two-level atom [Invited

    Science.gov (United States)

    Frimmer, Martin; Gieseler, Jan; Ihn, Thomas; Novotny, Lukas

    2017-06-01

    The center-of-mass motion of a single optically levitated nanoparticle resembles three uncoupled harmonic oscillators. We show how a suitable modulation of the optical trapping potential can give rise to a coupling between two of these oscillators, such that their dynamics are governed by a classical equation of motion that resembles the Schr\\"odinger equation for a two-level system. Based on experimental data, we illustrate the dynamics of this parametrically coupled system both in the frequency and in the time domain. We discuss the limitations and differences of the mechanical analogue in comparison to a true quantum mechanical system.

  10. Lifetime Measurements of $ \\pi ^+ \\pi ^- $ and $\\pi^{+-} K^{-+}$ Atoms to Test Low-Energy QCD Predictions

    CERN Multimedia

    Ponta, T C; Dumitriu, D E; Afanasyev, L; Zhabitskiy, M; Rykalin, V; Hons, Z; Schacher, J; Yazkov, V; Gerndt, J; Detraz, C C; Guaraldo, C; Dreossi, D; Smolik, J; Gorchakov, O; Nikitin, M; Dudarev, A; Kluson, J; Hansroul, M; Okada, K; Constantinescu, S; Kruglov, V; Komarov, V; Takeutchi, F; Tarta, P D; Kuptsov, A; Nemenov, L; Karpukhin, V; Shliapnikov, P; Brekhovskikh, V; Saborido silva, J J; Drijard, D; Rappazzo, G F; Pentia, M C; Gugiu, M M; Kruglova, L; Pustylnik, Z; Trojek, T; Vrba, T; Iliescu, M A; Duma, M; Ciocarlan, C; Kulikov, A; Ol'shevskiy, V; Ryazantsev, A; Chiba, M; Anania, A; Tarasov, A; Gritsay, K; Lapchine, V; Cechak, T; Lopez aguera, A

    2002-01-01

    %PS212 \\\\ \\\\ The proposed experiment aims to measure the lifetime of $ \\pi ^+ \\pi ^- $ atoms in the ground state with 10\\% precision, using the 24~GeV/c proton beam of the CERN Proton Synchrotron. As the value of the above lifetime of order 10$ ^- ^{1} ^{5} $s is dictated by a strong interaction at low energy, the precise measurement of this quantity enables to determine a combination of S-wave pion scattering lengths to 5\\%. Pion scattering lengths have been calculated in the framework of chiral perturbation theory and values predicted at the same level of accuracy have, up to now, never been confronted with accurate experimental data. Such a measurement would submit the understanding of chiral symmetry breaking of QCD to a crucial test.

  11. Effect of temperature-dependent energy-level shifts on a semiconductor's Peltier heat

    Science.gov (United States)

    Emin, David

    1984-11-01

    The Peltier heat of a charge carrier in a semiconductor is calculated for the situation in which the electronic energy levels are temperature dependent. The temperature dependences of the electronic energy levels, generally observed optically, arise from their dependences on the vibrational energy of the lattice (e.g., as caused by thermal expansion). It has been suggested that these temperature dependences will typically have a major effect on the Peltier heat. The Peltier heat associated with a given energy level is a thermodynamic quantity; it is the product of the temperature and the change of the entropy of the system when a carrier is added in that level. As such, the energy levels cannot be treated as explicitly temperature dependent. The electron-lattice interaction causing the temperature dependence must be expressly considered. It is found that the carrier's interaction with the atomic vibrations lowers its electronic energy. However, the interaction of the carrier with the atomic vibrations also causes an infinitesimal lowering (~1N) of each of the N vibrational frequencies. As a result, there is a finite carrier-induced increase in the average vibrational energy. Above the Debye temperature, this cancels the lowering of the carrier's electronic energy. Thus, the standard Peltier-heat formula, whose derivation generally ignores the temperature dependence of the electronic energy levels, is regained. This explains the apparent success of the standard formula in numerous analyses of electronic transport experiments.

  12. Spectroscopic properties of a two-level atom interacting with a complex spherical nanoshell

    CERN Document Server

    Moroz, A

    2004-01-01

    Frequency shifts, radiative decay rates, the Ohmic loss contribution to the nonradiative decay rates, fluorescence yields, and photobleaching of a two-level atom radiating anywhere inside or outside a complex spherical nanoshell, i.e. a stratified sphere consisting of alternating silica and gold concentric spherical shells, are studied. The changes in the spectroscopic properties of an atom interacting with complex nanoshells are significantly enhanced, often more than two orders of magnitude, compared to the same atom interacting with a homogeneous dielectric sphere. The changes strongly depend on the nanoshell parameters and the atom position. When an atom approaches a metal shell,the radiative decay rates are strongly enhanced and they increase faster than the Ohmic loss contribution to the nonradiative decay rates. However, the majority of the emitted radiation does not escape to spatial infinity but instead is absorbed. The enhancement of the radiative decay rates in a close proximity of metal boundaries...

  13. Absorption Spectra of a Three-Level Atom Embedded in a PBG Reservoir

    Institute of Scientific and Technical Information of China (English)

    ZHANG Ke; ZHANG Han-Zhuang

    2007-01-01

    We introduce the 'decay rate' terms into the density matrix equations of an atom embedded in a photonic band gap (PSG)reservoir successfully.By utilizing the master equations,the probe absorption spectra and the refractivity properties of a three-level atom in the PBG reservoir are obtained.The interaction between the atom and the PBG reservoir as well as the effects of the quantum interference on the absorption of the atom has also been taken into account.It is interesting that two different types of the anomalous dispersion relations of refractivity are exhibited in one dispersion line.The methodology used here can be applied to theoretical investigation of quantum interference effects of other atomic models embedded in a PBG reservoir.

  14. 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.

  15. Three-body entanglement induced by spontaneous emission in a three two-level atoms system

    Institute of Scientific and Technical Information of China (English)

    Liao Xiang-Ping; Fang Mao-Fa; Zheng Xiao-Juan; Cai Jian-Wu

    2006-01-01

    We study three-body entanglement induced by spontaneous emission in a three two-level atoms system by using the entanglement tensor approach. The results show that the amount of entanglement is strongly dependent on the initial state of the system and the species of atoms. The three-body entanglement is the result of the coherent superposition of the two-body entanglements. The larger the two-body entanglement is, the stronger the three-body entanglement is. On the other hand, if there exists a great difference in three two-body entanglement measures, the three-body entanglement is very weak. We also find that the maximum of the two-body entanglement obtained with nonidentical atoms is greater than that obtained with identical atoms via adjusting the difference in atomic frequency.

  16. Single chirped pulse control of hyperfine states population in Rb atom in the framework of the four-level system

    Science.gov (United States)

    Zakharov, Vladislav; Malinovskaya, Svetlana

    2012-06-01

    Electron population dynamics within the hyperfine structure in the Rb atom induced by a single ns pulse is theoretically investigated. The aim is to develop a methodology of the implementation of linearly chirped laser pulses for the desired excitations in the Rb atoms resulting in the creation of predetermined non-equilibrium states. A semi-classical model of laser pulse interaction with a four-level system representing the hyperfine energy levels of the Rb atom involved into dynamics has been developed. The equations for the probability amplitudes were obtained from the Schrodinger equation with the Hamiltonian that described the time evolution of the population of the four states in the field interaction representation. A code was written in Fortran for a numerical analysis of the time evolution of probability amplitudes as a function of the field parameters. The dependence of the quantum yield on the pulse duration, the linear chirp parameter and the Rabi frequency was studied to reveal the conditions for the entire population transfer to the upper hyperfine state of the 5S1/2 electronic level. The results may provide a robust tool for quantum operations in the alkali atoms.

  17. Background report for the formerly utilized Manhattan Engineer District/Atomic Energy Commission sites program

    Energy Technology Data Exchange (ETDEWEB)

    None

    1980-09-01

    The Department of Energy is conducting a program to determine radiological conditions at sites formerly used by the Army Corps of Engineers' Manhattan Engineer District and the Atomic Energy Commission in the early years of nuclear energy development. Also included in the program are sites used in the Los Alamos plutonium development program and the Trinity atomic bomb test site. Materials, equipment, buildings, and land became contaminated, primarily with naturally occurring radioactive nuclides. They were later decontaminated in accordance with the standards and survey methods in use at that time. Since then, however, radiological criteria, and proposed guidelines for release of such sites for unrestricted use have become more stringent as research on the effects of low-level radiation has progressed. In addition, records documenting some of these decontamination efforts cannot be found, and the final radiological conditions of the sites could not be adequately determined from the records. As a result, the Formerly Utilized Sites Program was initiated in 1974 to identify these formerly used sites and to reevaluate their radiological status. This report covers efforts through June 1980 to determine the radiological status of sites for which the existing conditions could not be clearly defined. Principal contractor facilities and associated properties have already been identified and activities are continuing to identify additional sites. Any new sites located will probably be subcontractor facilities and areas used for disposal of contractor waste or equipment; however, only limited information regarding this equipment and material has been collected to date. As additional information becomes available, supplemental reports will be published.

  18. Manipulation of multiple electromagnetically induced two-photon transparency in a six-level atomic system

    Institute of Scientific and Technical Information of China (English)

    Jia Wen-Zhi; Wang Shun-Jin

    2009-01-01

    In the five-level K-type atomic system, by using another control field to couple the excited level of the coupling transition to the sixth higher excited level, a six-level atomic system is constructed. In this system, the multiple electromagnetically induced two-photon transparency has been investigated. What is more, if choosing the parameters of the control fields properly the triple transparency window will reduce to a double one which means that the multiple electromagnetically induced two-photon transparency can be manipulated in this system. The physical interpretation of these phenomena is given in terms of the dressed states and the dark states.

  19. Developing the World's Digital Collection on Peaceful Uses of Atomic Energy.

    Science.gov (United States)

    Levine, Emil

    1997-01-01

    Discusses the developers/development, maintainers, and users of the digital collection on peaceful uses of nuclear energy, produced by the International Nuclear Information System (INIS) of the International Atomic Energy Agency (IAEA). Sensitive to users in both developing and highly developed countries, this system provides closer linkage…

  20. 76 FR 56242 - Duke Energy Carolinas, LLC; Southern Nuclear Operating Company; Establishment of Atomic Safety...

    Science.gov (United States)

    2011-09-12

    ... Energy Carolinas, LLC; Southern Nuclear Operating Company; Establishment of Atomic Safety and Licensing...: Duke Energy Carolinas, LLC, (William States Lee III Nuclear Station, Units 1 and 2), Docket Nos. 52-018... From the Federal Register Online via the Government Publishing Office NUCLEAR REGULATORY...

  1. Using Density Functional Theory (DFT) for the Calculation of Atomization Energies

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    The calculation of atomization energies using density functional theory (DFT), using the B3LYP hybrid functional, is reported. The sensitivity of the atomization energy to basis set is studied and compared with the coupled cluster singles and doubles approach with a perturbational estimate of the triples (CCSD(T)). Merging the B3LYP results with the G2(MP2) approach is also considered. It is found that replacing the geometry optimization and calculation of the zero-point energy by the analogous quantities computed using the B3LYP approach reduces the maximum error in the G2(MP2) approach. In addition to the 55 G2 atomization energies, some results for transition metal containing systems will also be presented.

  2. Is the Accuracy of Density Functional Theory for Atomization Energies and Densities in Bonding Regions Correlated?

    Science.gov (United States)

    Brorsen, Kurt R; Yang, Yang; Pak, Michael V; Hammes-Schiffer, Sharon

    2017-05-04

    The development of approximate exchange-correlation functionals is critical for modern density functional theory. A recent analysis of atomic systems suggested that some modern functionals are straying from the path toward the exact functional because electron densities are becoming less accurate while energies are becoming more accurate since the year 2000. To investigate this trend for more chemically relevant systems, the electron densities in the bonding regions and the atomization energies are analyzed for a series of diatomic molecules with 90 different functionals. For hybrid generalized gradient approximation functionals developed since the year 2000, the errors in densities and atomization energies are decoupled; the accuracy of the energies remains relatively consistent while the accuracy of the densities varies significantly. Such decoupling is not observed for generalized gradient and meta-generalized gradient approximation functionals. Analysis of electron densities in bonding regions is found to be important for the evaluation of functionals for chemical systems.

  3. 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

  4. Status of contamination monitoring in radiation activities of National Atomic Energy Agency (NAEA) in Indonesia

    Energy Technology Data Exchange (ETDEWEB)

    Suhariyono, Gatot [National Atomic Energy Agency, Jakarta (Indonesia)

    1997-06-01

    National Atomic Energy Agency (NAEA) or Badan Tenaga Atom Nasional (BATAN) is a non departmental governmental agency, headed by a Director General who is directly responsible to the President. Center for Standardization and Radiation Safety Research (CSRSR) is one of the research centers within the deputy for the assessment of nuclear science and technology of the NAEA. The main task of the CSRSR is to implement research and development program, development and services in the field of radiation safety, standardization, dosimetry, radiation health as well as the application of nuclear techniques in medicine, according to the policy confirmed by the director general of BATAN. Task of radiation protection division is to set up programs and to develop radiation protection, personal monitoring system and radiation level of the working areas and their surroundings as well as dose limitation system, to carry out technical up grading of radiation protection officials skill and to help coping with radiation accident. The key factor on contamination monitoring is to reduce human error and mechanical failures. These problems can be achieved to the highest degree by developing knowledge and skill of staffs via trainings or courses on contamination and decontamination, so that they are hoped to become trained and qualified staffs. (G.K.)

  5. Dynamics of Two-Photon Lasers with Λ Atomic Level Configuration

    Institute of Scientific and Technical Information of China (English)

    YANG Peng; QIAN Feng; HUANG Hong-Bin; XIE Xia; ZHANG Ya-Jun

    2006-01-01

    We derive the dimensionless dynamic equations of two-photon lasers with A atomic level configuration by using the quantum Langevin equation method with the considerations of atomic coherence and injected classical fields.Then we analyze the stability and the chaotic dynamics of the two-photon laser by calculating the bifurcation diagram and the maximum Lyapunov exponent (MLE). Our results show that the Lorenz strange attractors and one-focus strange attractors can exist in this system, and the chaos can be induced or inhibited by the injected classical fields via Hopfbifurcations or crises, while the atomic coherence induces chaos via crises, and inhibit chaos via Hopf bifurcation or crises.

  6. Electromagnetically induced transparency using a superconducting artificial atom with optimized level anharmonicity

    Science.gov (United States)

    Shao, Zhu-Lei; Feng, Zhi-Bo

    2016-04-01

    We propose a theoretical scheme to implement electromagnetically induced transparency (EIT) using an artificial atom of superconducting circuit. Allowed by the selection rule, two kinds of interactions between the atom and driving fields can be obtained, in which we focus on the leakage effect. In terms of dark-state mechanism in generating EIT, the leakage could destroy the EIT considerably. By removing the leakage effect in an optimized three-level atom, we consider a realization of EIT through the technique of density matrix. Furthermore, another effective way to optimize the level anharmonicity is analyzed in a dressing-state method. The scheme could provide a promising approach for experimentally improving EIT with the artificial atoms.

  7. Spin Hamilton Operators, Symmetry Breaking, Energy Level Crossing and Entanglement

    OpenAIRE

    Steeb, Willi-Hans; Hardy, Yorick; de Greef, Jacqueline

    2011-01-01

    We study finite-dimensional product Hilbert spaces, coupled spin systems, entanglement and energy level crossing. The Hamilton operators are based on the Pauli group. We show that swapping the interacting term can lead from unentangled eigenstates to entangled eigenstates and from an energy spectrum with energy level crossing to avoided energy level crossing.

  8. The effect of degenerate atomic levels on the field state dissipation in two-photon Jaynes-Cummings model

    Institute of Scientific and Technical Information of China (English)

    周玲; 宋鹤山; 李崇; 郭彦青

    2003-01-01

    The dissipation of the field in the two-photon Jaynes-Cummings model (JCM) with degenerate atomic levels was studied. The initial degenerate atomic state affects the field coherence loss. When the degenerate atom is initially in an equal probability superposition state, the field coherence loss is smallest. It is found that the degeneracy of the atomic level increases the period of entanglement between the atom and the field. When the degeneracy was considered, the coherence properties of the field could be affected by the reservoir qualitatively, if a nonlinear two-photon process is involved. This is different from the dissipation of one-photon JCM with degenerate atomic levels.

  9. The energy profiles of atomic conformational transition intermediates of adenylate kinase.

    Science.gov (United States)

    Feng, Yaping; Yang, Lei; Kloczkowski, Andrzej; Jernigan, Robert L

    2009-11-15

    The elastic network interpolation (ENI) (Kim et al., Biophys J 2002;83:1620-1630) is a computationally efficient and physically realistic method to generate conformational transition intermediates between two forms of a given protein. However it can be asked whether these calculated conformations provide good representatives for these intermediates. In this study, we use ENI to generate conformational transition intermediates between the open form and the closed form of adenylate kinase (AK). Based on C(alpha)-only intermediates, we construct atomic intermediates by grafting all the atoms of known AK structures onto the C(alpha) atoms and then perform CHARMM energy minimization to remove steric conflicts and optimize these intermediate structures. We compare the energy profiles for all intermediates from both the CHARMM force-field and from knowledge-based energy functions. We find that the CHARMM energies can successfully capture the two energy minima representing the open AK and closed AK forms, while the energies computed from the knowledge-based energy functions can detect the local energy minimum representing the closed AK form and show some general features of the transition pathway with a somewhat similar energy profile as the CHARMM energies. The combinatorial extension structural alignment (Shindyalov et al., 1998;11:739-747) and the k-means clustering algorithm are then used to show that known PDB structures closely resemble computed intermediates along the transition pathway.

  10. Quantum state transfer and logic gates with two 3-level atoms in cavity QED

    Science.gov (United States)

    Yang, Chui-Ping; Chu, Shih-I.

    2004-08-01

    We present a new way to implement quantum controlled phase-shift gate, quantum exchange gate (SWAP gate), and quantum state transfer with two 3-level atoms in cavity QED. The method does not involve real excitation of a cavity photon during the operation, thus decoherence induced due to the cavity-photon decay is minimized. In addition, it is remarkable that for all present purposes, no auxiliary atoms or any measurement is needed. Therefore, the operation is significantly simplified.

  11. Scheme for Teleportation of Four-Level Atomic States in Thermal Cavities

    Institute of Scientific and Technical Information of China (English)

    WANG Xin-Wen; LIU Xiang; FANG Mao-Fa

    2007-01-01

    We propose a scheme for teleportation of four-level atomic states in thermal cavities. The scheme does not involve the generalized Bell-state or generalized GHZ-state measurement, which is difficult in practice. Another feature of the scheme is that it does not require individual addressing of atoms in cavity and is insensitive to both cavity decay and thermal field, which is of importance in point of experiment.

  12. Atom-Scale Reaction Pathways and Free-Energy Landscapes in Oxygen Plasma Etching of Graphene.

    Science.gov (United States)

    Koizumi, Kenichi; Boero, Mauro; Shigeta, Yasuteru; Oshiyama, Atsushi

    2013-05-16

    We report first-principles molecular dynamics calculations combined with rare events sampling techniques that clarify atom-scale mechanisms of oxygen plasma etching of graphene. The obtained reaction pathways and associated free-energy landscapes show that the etching proceeds near vacancies via a two-step mechanism, formation of precursor lactone structures and the subsequent exclusive CO2 desorption. We find that atomic oxygen among the plasma components is most efficient for etching, providing a guidline in tuning the plasma conditions.

  13. Direct measurement of desorption and diffusion energies of O and N atoms physisorbed on amorphous surfaces

    CERN Document Server

    Minissale, Marco; Dulieu, François

    2016-01-01

    Physisorbed atoms on the surface of interstellar dust grains play a central role in solid state astrochemistry. Their surface reactivity is one source of the observed molecular complexity in space. In experimental astrophysics, the high reactivity of atoms also constitutes an obstacle to measuring two of the fundamental properties in surface physics, namely desorption and diffusion energies, and so far direct measurements are non-existent for O and N atoms. We investigated the diffusion and desorption processes of O and N atoms on cold surfaces in order to give boundary conditions to astrochemical models. Here we propose a new technique for directly measuring the N- and O-atom mass signals. Including the experimental results in a simple model allows us to almost directly derive the desorption and diffusion barriers of N atoms on amorphous solid water ice (ASW) and O atoms on ASW and oxidized graphite. We find a strong constraint on the values of desorption and thermal diffusion energy barriers. The measured b...

  14. Ab initio surface core-level shifts and surface segregation energies

    DEFF Research Database (Denmark)

    Aldén, Magnus; Skriver, Hans Lomholt; Johansson, Börje

    1993-01-01

    We have calculated the surface core-level energy shifts of the 4d and 5d transition metals by means of local-density theory and a Green’s-function technique based on the linear muffin-tin orbitals method. Final-state effects are included by treating the core-ionized atom as an impurity located...

  15. ENHANCING THE ATOMIC-LEVEL UNDERSTANDING OF CO2 MINERAL SEQUESTRATION MECHANISMS VIA ADVANCED COMPUTATIONAL MODELING

    Energy Technology Data Exchange (ETDEWEB)

    A.V.G. Chizmeshya; M.J. McKelvy; G.H. Wolf; R.W. Carpenter; D.A. Gormley; J.R. Diefenbacher; R. Marzke

    2006-03-01

    Fossil fuels currently provide 85% of the world's energy needs, with the majority coming from coal, due to its low cost, wide availability, and high energy content. The extensive use of coal-fired power assumes that the resulting CO2 emissions can be vented to the atmosphere. However, exponentially increasing atmospheric CO2 levels have brought this assumption under critical review. Over the last decade, this discussion has evolved from whether exponentially increasing anthropogenic CO2 emissions will adversely affect the global environment, to the timing and magnitude of their impact. A variety of sequestration technologies are being explored to mitigate CO2 emissions. These technologies must be both environmentally benign and economically viable. Mineral carbonation is an attractive candidate technology as it disposes of CO2 as geologically stable, environmentally benign mineral carbonates, clearly satisfying the first criteria. The primary challenge for mineral carbonation is cost-competitive process development. CO2 mineral sequestration--the conversion of stationary-source CO2 emissions into mineral carbonates (e.g., magnesium and calcium carbonate, MgCO3 and CaCO3)--has recently emerged as one of the most promising sequestration options, providing permanent CO2 disposal, rather than storage. In this approach a magnesium-bearing feedstock mineral (typically serpentine or olivine; available in vast quantities globally) is specially processed and allowed to react with CO2 under controlled conditions. This produces a mineral carbonate which (1) is environmentally benign, (2) already exists in nature in quantities far exceeding those that could result from carbonating the world's known fossil fuel reserves, and (3) is stable on a geological time scale. Minimizing the process cost via optimization of the reaction rate and degree of completion is the remaining challenge. As members of the DOE/NETL managed National Mineral Sequestration Working Group we

  16. ENHANCING THE ATOMIC-LEVEL UNDERSTANDING OF CO2 MINERAL SEQUESTRATION MECHANISMS VIA ADVANCED COMPUTATIONAL MODELING

    Energy Technology Data Exchange (ETDEWEB)

    A.V.G. Chizmeshya

    2003-12-19

    also significantly advance our understanding of atomic-level processes at the solid/solution interface by elucidating the origin of vibrational, electronic, x-ray and electron energy loss spectra observed experimentally.

  17. Exploring the possibility of detecting dark energy in a terrestrial experiment using atom interferometry

    OpenAIRE

    Perl, Martin L.; Mueller, Holger

    2010-01-01

    The majority of astronomers and physicists accept the reality of dark energy but also believe it can only be studied indirectly through observation of the motions of galaxies. This paper opens the experimental question of whether it is possible to directly detect dark energy on earth using atom interferometry through a force hypothetically caused by a gradient in the dark energy density. Our proposed experimental design is outlined. The possibility of detecting other weak fields is briefly di...

  18. Interplay between relativistic energy corrections and resonant excitations in x-ray multiphoton ionization dynamics of Xe atoms

    Science.gov (United States)

    Toyota, Koudai; Son, Sang-Kil; Santra, Robin

    2017-04-01

    In this paper, we theoretically study x-ray multiphoton ionization dynamics of heavy atoms taking into account relativistic and resonance effects. When an atom is exposed to an intense x-ray pulse generated by an x-ray free-electron laser (XFEL), it is ionized to a highly charged ion via a sequence of single-photon ionization and accompanying relaxation processes, and its final charge state is limited by the last ionic state that can be ionized by a single-photon ionization. If x-ray multiphoton ionization involves deep inner-shell electrons in heavy atoms, energy shifts by relativistic effects play an important role in ionization dynamics, as pointed out in Phys. Rev. Lett. 110, 173005 (2013), 10.1103/PhysRevLett.110.173005. On the other hand, if the x-ray beam has a broad energy bandwidth, the high-intensity x-ray pulse can drive resonant photoexcitations for a broad range of ionic states and ionize even beyond the direct one-photon ionization limit, as first proposed in Nat. Photon. 6, 858 (2012), 10.1038/nphoton.2012.261. To investigate both relativistic and resonance effects, we extend the xatom toolkit to incorporate relativistic energy corrections and resonant excitations in x-ray multiphoton ionization dynamics calculations. Charge-state distributions are calculated for Xe atoms interacting with intense XFEL pulses at a photon energy of 1.5 keV and 5.5 keV, respectively. For both photon energies, we demonstrate that the role of resonant excitations in ionization dynamics is altered due to significant shifts of orbital energy levels by relativistic effects. Therefore, it is necessary to take into account both effects to accurately simulate multiphoton multiple ionization dynamics at high x-ray intensity.

  19. Atomic Spectra Database (ASD)

    Science.gov (United States)

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

  20. Two photon dissociation of benzene, phenylacetylene, and benzaldehyde at 243 nm: translational energy releases in the H atom channel

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Seung Keun; Kim, Hong Lae [Kangwon National Univ., Chuncheon (Korea, Republic of); Park, Chan Ryang [Kookmin Univ., Seoul (Korea, Republic of)

    2002-02-01

    Hydrogen atom production channels from photodissociation of benzene, phenylacetylene, and benzaldehyde at 243 nm have been investigated by detecting H atoms using two photon absorption at 243.2 nm and induced fluorescence at 121.6 nm. Translational energies of the H atoms were measured by Doppler broadened H atom spectra. By absorption of two photons at 243 nm, the H atoms are statistically produced from benzene and phenylacetylene whereas the H atoms from the aldehyde group in benzaldehyde are produced from different pathways. The possible dissociation mechanisms are discussed from the measured translational energy releases.

  1. Energy Landscape of Alginate-Epimerase Interactions Assessed by Optical Tweezers and Atomic Force Microscopy.

    Directory of Open Access Journals (Sweden)

    Armend Gazmeno Håti

    Full Text Available Mannuronan C-5 epimerases are a family of enzymes that catalyze epimerization of alginates at the polymer level. This group of enzymes thus enables the tailor-making of various alginate residue sequences to attain various functional properties, e.g. viscosity, gelation and ion binding. Here, the interactions between epimerases AlgE4 and AlgE6 and alginate substrates as well as epimerization products were determined. The interactions of the various epimerase-polysaccharide pairs were determined over an extended range of force loading rates by the combined use of optical tweezers and atomic force microscopy. When studying systems that in nature are not subjected to external forces the access to observations obtained at low loading rates, as provided by optical tweezers, is a great advantage since the low loading rate region for these systems reflect the properties of the rate limiting energy barrier. The AlgE epimerases have a modular structure comprising both A and R modules, and the role of each of these modules in the epimerization process were examined through studies of the A- module of AlgE6, AlgE6A. Dynamic strength spectra obtained through combination of atomic force microscopy and the optical tweezers revealed the existence of two energy barriers in the alginate-epimerase complexes, of which one was not revealed in previous AFM based studies of these complexes. Furthermore, based on these spectra estimates of the locations of energy transition states (xβ, lifetimes in the absence of external perturbation (τ0 and free energies (ΔG# were determined for the different epimerase-alginate complexes. This is the first determination of ΔG# for these complexes. The values determined were up to 8 kBT for the outer barrier, and smaller values for the inner barriers. The size of the free energies determined are consistent with the interpretation that the enzyme and substrate are thus not tightly locked at all times but are able to relocate

  2. Energy Landscape of Alginate-Epimerase Interactions Assessed by Optical Tweezers and Atomic Force Microscopy.

    Science.gov (United States)

    Håti, Armend Gazmeno; Aachmann, Finn Lillelund; Stokke, Bjørn Torger; Skjåk-Bræk, Gudmund; Sletmoen, Marit

    2015-01-01

    Mannuronan C-5 epimerases are a family of enzymes that catalyze epimerization of alginates at the polymer level. This group of enzymes thus enables the tailor-making of various alginate residue sequences to attain various functional properties, e.g. viscosity, gelation and ion binding. Here, the interactions between epimerases AlgE4 and AlgE6 and alginate substrates as well as epimerization products were determined. The interactions of the various epimerase-polysaccharide pairs were determined over an extended range of force loading rates by the combined use of optical tweezers and atomic force microscopy. When studying systems that in nature are not subjected to external forces the access to observations obtained at low loading rates, as provided by optical tweezers, is a great advantage since the low loading rate region for these systems reflect the properties of the rate limiting energy barrier. The AlgE epimerases have a modular structure comprising both A and R modules, and the role of each of these modules in the epimerization process were examined through studies of the A- module of AlgE6, AlgE6A. Dynamic strength spectra obtained through combination of atomic force microscopy and the optical tweezers revealed the existence of two energy barriers in the alginate-epimerase complexes, of which one was not revealed in previous AFM based studies of these complexes. Furthermore, based on these spectra estimates of the locations of energy transition states (xβ), lifetimes in the absence of external perturbation (τ0) and free energies (ΔG#) were determined for the different epimerase-alginate complexes. This is the first determination of ΔG# for these complexes. The values determined were up to 8 kBT for the outer barrier, and smaller values for the inner barriers. The size of the free energies determined are consistent with the interpretation that the enzyme and substrate are thus not tightly locked at all times but are able to relocate. Together with the

  3. Energy Landscape of Alginate-Epimerase Interactions Assessed by Optical Tweezers and Atomic Force Microscopy

    Science.gov (United States)

    Håti, Armend Gazmeno; Aachmann, Finn Lillelund; Stokke, Bjørn Torger; Skjåk-Bræk, Gudmund; Sletmoen, Marit

    2015-01-01

    Mannuronan C-5 epimerases are a family of enzymes that catalyze epimerization of alginates at the polymer level. This group of enzymes thus enables the tailor-making of various alginate residue sequences to attain various functional properties, e.g. viscosity, gelation and ion binding. Here, the interactions between epimerases AlgE4 and AlgE6 and alginate substrates as well as epimerization products were determined. The interactions of the various epimerase–polysaccharide pairs were determined over an extended range of force loading rates by the combined use of optical tweezers and atomic force microscopy. When studying systems that in nature are not subjected to external forces the access to observations obtained at low loading rates, as provided by optical tweezers, is a great advantage since the low loading rate region for these systems reflect the properties of the rate limiting energy barrier. The AlgE epimerases have a modular structure comprising both A and R modules, and the role of each of these modules in the epimerization process were examined through studies of the A- module of AlgE6, AlgE6A. Dynamic strength spectra obtained through combination of atomic force microscopy and the optical tweezers revealed the existence of two energy barriers in the alginate-epimerase complexes, of which one was not revealed in previous AFM based studies of these complexes. Furthermore, based on these spectra estimates of the locations of energy transition states (xβ), lifetimes in the absence of external perturbation (τ0) and free energies (ΔG#) were determined for the different epimerase–alginate complexes. This is the first determination of ΔG# for these complexes. The values determined were up to 8 kBT for the outer barrier, and smaller values for the inner barriers. The size of the free energies determined are consistent with the interpretation that the enzyme and substrate are thus not tightly locked at all times but are able to relocate. Together with the

  4. German atomic energy law in the international framework. Proceedings. Deutsches Atomenergierecht im internationalen Rahmen. Tagungsbericht

    Energy Technology Data Exchange (ETDEWEB)

    Pelzer, N. (Goettingen Univ. (Germany). Inst. fuer Voelkerrecht) (ed.)

    1992-01-01

    The regional conference was devoted to the legal problems that ensue from German reunification against the background of the integration of German atomic energy law within international law. The elements of national atomic energy legislation required by international law and recent developments in international nuclear liability law were discussed from different perspectives. The particular problems of the application of the German Atomic Energy Act in the 5 new Laender (the territories of the former GDR) were presented and discussed, namely: The continued validity of old licences issued by the GDR; practical legal problems connected with the construction of nuclear power plants in the 5 new Laender; the legal issues connected with the final repository for radioactive wastes at Morsleben; and the new developments in radiation protection law following from the Unification Treaty and the new ICRP recommendations. All 14 lectures have been abstracted and indexed individually. (orig.).

  5. Levelized Cost of Energy of the Weptos wave energy converter

    DEFF Research Database (Denmark)

    Pecher, Arthur; Kofoed, Jens Peter

    This report presents the cost of energy calculations of a wave energy array of 90 MW, consisting of 25 x 3.6 MW Weptos wave energy converters. The calculation has been made in analogy with a publically available document presented by the UK government, covering the case of a similar size wind...

  6. Potential energy curves for the interaction of Ag(5s) and Ag(5p) with noble gas atoms

    CERN Document Server

    Loreau, J; Dalgarno, A

    2013-01-01

    We investigate the interaction of ground and excited states of a silver atom with noble gases (NG), including helium. Born-Oppenheimer potential energy curves are calculated with quantum chemistry methods and spin-orbit effects in the excited states are included by assuming a spin-orbit splitting independent of the internuclear distance. We compare our results with experimentally available spectroscopic data, as well as with previous calculations. Because of strong spin-orbit interactions, excited Ag-NG potential energy curves cannot be fitted to Morse-like potentials. We find that the labeling of the observed vibrational levels has to be shifted by one unit.

  7. Energy spectrum of the hydrogen atom in a space with one compactified extra dimension, R3 ×S1

    Science.gov (United States)

    Bureš, Martin

    2015-12-01

    We investigate the consequences of one extra compactified dimension for the energy spectrum of the non-relativistic hydrogen atom with a potential defined by Gauss' law, i.e. proportional to 1 /| x | 2 in non-compactified 4d space. The calculations were performed numerically by diagonalizing the Hamiltonian in two different sets of basis vectors. The energy levels and electron probability density are plotted as a function of the compactification radius. The occurrence of several physical effects is discussed and interpreted.

  8. One-step implementation of maximally entangled states of many three-level atoms in microwave cavity QED

    Science.gov (United States)

    Zou, Xubo; Mathis, W.

    2004-09-01

    We propose an experimental scheme for one-step implementation of maximally entangled states of many three-level atoms in microwave cavity QED. In the scheme, many three-level atoms initially prepared in the same superposition states are simultaneously sent through one superconducting cavity, and maximally entangled states can be generated without requiring the measurement and individual addressing of the atoms.

  9. Calculation of the surface energy of fcc metals with modified embedded-atom method

    Institute of Scientific and Technical Information of China (English)

    Zhang Jian-Min; Ma Fei; Xu Ke-Wei

    2004-01-01

    The surface energies for 38 surfaces of fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Rh and Ir have been calculated by using the modified embedded-atom method. The results show that, for Cu, Ag, Ni, Al, Pb and Ir, the average values of the surface energies are very close to the polycrystalline experimental data. For all fcc metals, as predicted, the close-packed (111) surface has the lowest surface energy. The surface energies for the other surfaces increase linearly with increasing angle between the surfaces (hkl) and (111). This can be used to estimate the relative values of the surface energy.

  10. Self-energy and interaction energy of stacking fault in fcc metals calculated by embedded-atom method

    Institute of Scientific and Technical Information of China (English)

    何刚; 戎咏华; 徐祖耀

    2000-01-01

    The stacking fault energies of five fcc metals (Cu, Ag, Au, Ni and Al) with various quan-tivalences have been calculated by embedded-atom method (EAM). It indicated that the stacking fault energy is mainly determined by the metallic bond-energy and the lattice constant. Thus, monovalent fcc metals should have different stacking fault energies, contrary to Attree’s conclusion. The interaction energy between stacking faults one I 111 I layer apart in a fcc metal is found to be 1/40-1/250 of its self-energy, while it becomes zero when the two stacking faults are two layers apart. The twin energy is just half of the energy of intrinsic stacking fault energy without the consideration of lattice relaxation and the energy of a single intrinsic stacking fault is almost the same as that of extrinsic stacking fault, which are consistent with the results from the calculation of Lennard-Jones force between atoms, but differ from Attree’s result.

  11. 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.

  12. [Constant scaled-energy spectroscopy of Rydberg atoms in a static electric field].

    Science.gov (United States)

    Cao, Jun-wen; Liu, Xiao-jun; Zhao, Zhi; Zhan, Ming-sheng

    2002-02-01

    In the past years, scaled energy spectroscopy is under active investigation because this method can simplify the analysis of atomic spectra in the external field based on classic mechanics. A fully computer-controlled experimental system to study the constant scaled-energy spectroscopy was established and described in this paper. The excitation energy E and the strength of the external electric field F were controlled synchronously to keep the scaled-energy epsilon = E/square root of F constant. With this system, constant scaled-energy spectra of Strontium Rydberg atoms at epsilon = -3.0 in a static electric field were successfully recorded for the first time, and the recurrence spectra were obtained by a Fourier transform.

  13. 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.

  14. Interaction between two SU(1 , 1) quantum systems and a two-level atom

    Science.gov (United States)

    Abdalla, M. Sebawe; Khalil, E. M.; Obada, A. S.-F.

    2016-07-01

    We consider a two-level atom interacting with two coupled quantum systems that can be represented in terms of su(1 , 1) Lie algebra. The wave function that is obtained using the evolution operator for the atom is initially in a superposition state and the coupled su(1 , 1) systems in a pair coherent Barut-Girardello coherent state. We then discuss atomic inversion, where more periods of revivals are observed and compared with a single su(1 , 1) quantum system. For entanglement and squeezing phenomena, the atomic angles coherence and phase as well as the detuning are effective parameters. The second-order correlation function displays Bunching and anti-Bunching behavior.

  15. Temperature dependent quantum correlations in three dipolar coupled two-level atoms

    CERN Document Server

    Ahmed, Shaik

    2016-01-01

    We investigate the thermal entanglement characteristics of three dipole-coupled two-level atoms arranged in two different configurations - in a line with nearest neighbour coupling and in a closed loop with each atom interacting with both its neighbours. It is observed that in loop configuration, any one of the three atoms is indeed entangled with the other two atoms in the system, which are not mutually entangled, and further that this feature is specific to only the loop configuration, which is markedly absent in the line configuration. A detailed study of the quantum correlations demonstrated how these can be tuned by varying the temperature and the dipole dipole coupling strength, in both the configurations.

  16. A New Nonrelativistic Atomic Energy Spectrum of Energy Dependent Potential for Heavy Quarkouniom in Noncommutative Spaces and Phases Symmetries

    OpenAIRE

    Abdelmadjid Maireche

    2016-01-01

    The main objective of this search work is to study a three dimensional space-phase modified Schrödinger equation with energy dependent potential plus three terms: , and is carried out. Together with the Boopp’s shift method and standard perturbation theory the new energy spectra shown to be dependent with new atomic quantum in the non-commutative three dimensional real spaces and phases symmetries (NC-3D: RSP) and we have also constructed the corresponding deformed noncommutative Hamiltonia...

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

    Institute of Scientific and Technical Information of China (English)

    Huang Shi-Zhong; Ma Kun; Yu Jia-Ming; Liu Fen

    2008-01-01

    A new set of trial functions for 1s22sns configurations in a beryllium atom is suggested.A Mathematica program baaed on the variational method is developed to calculate the wavefunctions and energies of 1s22sns (n=3-6)configurations in a beryllium atom.Non-relativistic energy,polarization correction and relativistic correction which include mass correction,one- and two-body Darwin corrections,spin-spin contact interaction and orbit-orbit interaction,are calculated respectively.The results are in good agreement with experimental data.

  18. Mr. Ansar Shamsi, Member Finance, Mr. Malik Adalat Khan, Director Finance, Pakistan Atomic Energy Commission

    CERN Multimedia

    Patrice Loïez

    2003-01-01

    Photo 01: Mr Ansar Shamsi, Member Finance, Pakistan Atomic Energy Commission (centre), visiting the ATLAS Tile Calorimeter in building 191 with, from left to right, Mr Syed Shaukat Hussain, Pakistan Mission in Geneva and Dr Peter Jenni, ATLAS Spokesperson. Photo 02: Mr Ansar Shamsi, Member Finance, Pakistan Atomic Energy Commission (2nd form left), visiting the ATLAS Tile Calorimeter in building 191 with, from left to right, Mr Syed Shaukat Hussain, Pakistan Mission in Geneva; Dr Peter Jenni, ATLAS Spokesperson; Dr David Jacobs and Dr Philip Bryant, Joint Pakistan-CERN Committee.

  19. Annual Report to Congress of the Atomic Energy Commission for 1963

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1964-01-30

    The document represents the 1963 Annual Report of the Atomic Energy Commission (AEC) to Congress. Beginning with this year's report, an index is included as part of the document, rather than as a separate publication.The report is divided into 7 areas for 1963, plus 11 appendices and the index. Section names are: Part One, The Atomic Energy Program - 1963; Part Two, Production and Weapons Programs; Part Three, Nuclear Reactor Programs; Part Four, Public Safety; Part Five, Other Major Activities; Part Six, Support-Type Activities; and Part Seven, Regulatory Activities.

  20. Coupled-cluster singles, doubles and triples (CCSDT) calculations of atomization energies

    DEFF Research Database (Denmark)

    Bak, KL; Jorgensen, P; Olsen, Jeppe

    2000-01-01

    Atomization energies have been calculated for CO, H2O, F-2, HF, N-2 and CH2 (the (1)A(1) state) using the coupled-duster singles, doubles and triples (CCSDT) model as well as the coupled-cluster singles and doubles model with a perturbative correction for triples [CCSD(T)]. TheCCSD(T) model...... provides an excellent approximation to the CCSDT model; at the cc-pV5Z basis set level, the CCSDT valence triples contribution is underestimated by 9.1% (0.8 kJ/mol) for CH, and overestimated for the remaining molecules by as little as 4.3%(1.3 kJ/mol) for F-2,and as much as 8.4% (3.0 kJ/mol) for N-2....... At the CCSDT level, the agreement with experiment is not improved, suggesting that some cancellation of error occurs between the missing triples contributions at the CCSD(T) level and the contributions from the connected quadruples. (C) 2000 Elsevier Science B.V, All rights reserved....

  1. Average Dissipative and Dipole Forces on a Three-Level Atom in a Laguerre-Gaussian Beam

    Institute of Scientific and Technical Information of China (English)

    WANG Zheng-Ling; YIN Jian-Ping

    2005-01-01

    @@ By means of the optical Bloch equations based on the atomic density matrix elements, the general expressions of the average dissipative force, dipole force and the mechanical torque acting on a A-configuration three-level atom in a linearly-polarized Laguerre-Gaussian beam (LGB) with an angular momentum of lh are derived, and the general properties of the average dissipative and dipole force on the three-level atom in the linearly-polarized LGB are analysed. We find a resonant property (with two resonant peaks) of the dissipative force and a non-resonant property (with two pairs of non-resonant peaks) of the dipole force on the three-level atom, which are completely different from those on the two-level atom. Our study also shows that all of general expressions on the three-level atom will be simplified to those on the two-level atom in the approximation of large detuning.

  2. Deciphering chemical order/disorder and material properties at the single-atom level.

    Science.gov (United States)

    Yang, Yongsoo; Chen, Chien-Chun; Scott, M C; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R C; Sabirianov, Renat F; Zeng, Hao; Ercius, Peter; Miao, Jianwei

    2017-02-01

    Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling 'real' materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure-property relationships at the fundamental level.

  3. Deciphering chemical order/disorder and material properties at the single-atom level

    Science.gov (United States)

    Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R. C.; Sabirianov, Renat F.; Zeng, Hao; Ercius, Peter; Miao, Jianwei

    2017-02-01

    Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.

  4. 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

  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. Temperature dependence of the energy-level shift induced by the Bose-Einstein condensation of photons

    Institute of Scientific and Technical Information of China (English)

    Zhang Jian-Jun; Cheng Ze; Yuan Jian-Hui; Zhang Jun-Pei

    2012-01-01

    We investigate the energy-level shift of a hydrogen atom in a two-dimensional optical microcavity,where there exists a Bose-Einstein condensation of photons.It is found that below the critical temperature Tc,the energy-level shift of the bound electron is dependent on temperature,and it is a monotonically increasing function of the absolute temperature T.Especially,at the absolute zero temperature,the energy-level shift entirely comes from the Lamb shift,and the atom can be treated approximately,that is,in vacuum.

  7. Absorption-Dispersion Properties in a Four-Level Atomic System with Vacuum-Induced Coherence

    Institute of Scientific and Technical Information of China (English)

    WEIHua; LIJia-Hua; ZHANZhi-Ming; PENGJu-Cun

    2005-01-01

    We discuss and analyze absorption-dispersion response for the probe field in a typical four-level atomic system with vacuum-induced coherence (VIC) arising from the cross coupling pathways associated with a pair of upper excited hyperfine levels. We find that VIC effect can preserve electromagnetically induced transparency (FIT) by using the detailed numerical simulations based on the density-matrix equations and analytical calculations in the dressed-state picture. We also show that the atomic hyperfine structure cannot be a hindrance to obtaining EIT.

  8. Absorption-Dispersion Properties in a Four-Level Atomic System with Vacuum-Induced Coherence

    Institute of Scientific and Technical Information of China (English)

    WEI Hua; LI Jia-Hua; ZHAN Zhi-Ming; PENG Ju-Cun

    2005-01-01

    We discuss and analyze absorption-dispersion response for the probe field in a typical four-level atomic system with vacuum-induced coherence (VIC) arising from the cross coupling pathways associated with a pair of upper excited hyperfine levels. We find that VIC effect can preserve electromagnetically induced transparency (EIT) by using the detailed numerical simulations based on the density-matrix equations and analytical calculations in the dressed-state picture. We also show that the atomic hyperfine structure cannot be a hindrance to obtaining EIT.

  9. Collision Dynamics of Rydberg Atoms and Molecules at Ultralow Energies

    Science.gov (United States)

    2005-12-31

    in weak A = E-B fields [9], a truncated closely-coupled channel Pn system of equations [10], Monte - Carlo simulations where Pn = (- 2 me En)1 / 2 and...is dominated by a symmetric band Heisenberg form [13] of a correspondence principle for ma- of states centered about the highly excited level i. Then...the time average (Wr,, of where only the Heisenberg correspondence rif-rs(i) and the Larmor power (1) to be decomposed as 7s,,/1, where r*r*_ 5 (f) is

  10. A simple nonbinary scattering model applicable to atomic collisions is crystals at 1ow energies

    DEFF Research Database (Denmark)

    Andersen, Hans Henrik; Sigmund, Peter

    1966-01-01

    Presents the solution of a special scattering problem which may be important in the theory of slowing-down of atomic particles in crystals. A projectile moves along the centre axis of a regular ring of n equal atoms which are free and do not interact with each other. The interaction between...... the projectile and each ring atom is described by a Born-Mayer potential, and the scattering is assumed to be elastic and governed by the classical equations of motion. Because of symmetry, the problem can be reduced to plane motion of a particle in a potential of elliptic symmetry. The elliptic force field...... the asymptotic velocities of the ring atoms as well as the energy loss of the projectile. Furthermore, it can be decided whether the projectile is reflected by the ring. Both the feasibility of assumptions specifying the problem and the validity of different approximations made in the transformation from...

  11. Free energy for a damped cold atom in SU(2) non-Abelian gauge potentials

    Science.gov (United States)

    Guingarey, Issoufou; Avossevou, Gabriel Y. H.

    2017-03-01

    Our main aim in this work is to find out the exact formula of the equilibrium free energy for a cold atom subjected to a harmonic potential in the background of an artificial non-Abelian uniform magnetic field and linearly coupled to a heat bath. The heat bath consists of a collection of independent quantum harmonic oscillators, while its interaction with the cold atom is modeled in terms of bilinear coupling between the coordinate variables of the cold atom and the oscillators. The main thermodynamic properties of such a system are modified in comparison with the Abelian case. For a non-Abelian magnetic field generated from the laser methods employing degenerate dark states, we evaluate the effect of the non-Abelian dynamics on the magnetic moment of the cold atom.

  12. Computational model for noncontact atomic force microscopy: energy dissipation of cantilever.

    Science.gov (United States)

    Senda, Yasuhiro; Blomqvist, Janne; Nieminen, Risto M

    2016-09-21

    We propose a computational model for noncontact atomic force microscopy (AFM) in which the atomic force between the cantilever tip and the surface is calculated using a molecular dynamics method, and the macroscopic motion of the cantilever is modeled by an oscillating spring. The movement of atoms in the tip and surface is connected with the oscillating spring using a recently developed coupling method. In this computational model, the oscillation energy is dissipated, as observed in AFM experiments. We attribute this dissipation to the hysteresis and nonconservative properties of the interatomic force that acts between the atoms in the tip and sample surface. The dissipation rate strongly depends on the parameters used in the computational model.

  13. Atomic-level elucidation of the initial stages of self-assembled monolayer metallization and nanoparticle formation.

    Science.gov (United States)

    Keith, John A; Jacob, Timo

    2010-11-02

    The development of high-performance molecular electronics and nanotech applications requires deep understanding of atomic level structural, electronic, and magnetic properties of electrode/molecular interfaces. Recent electrochemical experiments on self-assembled monolayers (SAMs) have identified highly practical means to generate nanoparticles and metal monolayers suspended above substrate surfaces through SAM metallizations. A rational basis why this process is even possible is not yet well-understood. To clarify the initial stages of interface formation during SAM metallization, we used first-principles spin-polarized density functional theory (DFT) calculations to study Pd diffusion on top of 4-mercaptopyridine (4MP) SAMs on Au(111). After distinguishing potential-energy surfaces (PESs) for different spin configurations for transition metal atoms on the SAM, we find adatom diffusion is not possible over the clean 4MP-SAM surface. Pre-adsorption of transition-metal atoms, however, facilitates atomic diffusion that appears to explain multiple reports on experimentally observed island and monolayer formation on top of SAMs. Furthermore, these diffusions most likely occur by moving across low-lying and intersecting PESs of different spin states, opening the possibility of magnetic control over these systems. Vertical diffusion processes were also investigated, and the electrolyte was found to play a key role in preventing metal permeation through the SAM to the substrate.

  14. Annual Report to Congress of the Atomic Energy Commission for 1967

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1968-01-31

    The document represents the 1967 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report opens with a Summary of Atomic Energy Programs in 1967 and includes 17 Chapters, 11 appendices and an index. Chapters are as follows: (1) Source and Special Nuclear Materials; (2) Safeguards and Materials Management; (3) The Nuclear Defense Effort; (4) Naval Propulsion Reactors; (5) Reactor Development and Technology; (6) Licensing and Regulating the Atom; (7) Operational Safety; (8) Nuclear Rocket Propulsion; (9) Specialized Nuclear Power Units; (10) Isotopic Radiation Applications; (11) The Plowshare Program; (12) International Cooperation Activities; (13) Informational Activities; (14) Nuclear Education and Training; (15) Basic Research; (16) Industrial Participation Aspects; and, (17) Administrative and Management Matters.

  15. Hydrogen atom wave function and eigen energy in the Rindler space

    CERN Document Server

    Dai, De-Chang

    2016-01-01

    We study the hydrogen atom eigenstate energy and wave function in the Rindler space. The probability distribution is tilted because the electric field of the nucleus is no longer spherically symmetric. The hydrogen atom therefore cannot be treated exactly in the same way as what it is in an inertial frame. We also find that if the external force accelerates only the nucleus and then the nucleus accelerates its surrounding electrons through electromagnetic force, the electrons can tunnel through the local energy gap and split the hydrogen atom into an ion. This is similar to what one expects from the Stark effect. However, the critical acceleration is about $3\\times 10^{22} m/s^2$. It is well beyond the gravitational acceleration on a regular star surface.

  16. Annual Report to Congress of the Atomic Energy Commission for 1968

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1969-01-31

    The document represents the 1968 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report opens with ''An Introduction to the Atomic Energy Programs during 1968'' followed by 17 Chapters, 8 appendices and an index. Chapters are as follows: (1) Source, Special, and Nuclear Byproduct Materials; (2) Nuclear Materials Safeguards; (3) The Nuclear Defense Effort; (4) Naval Propulsion Reactors; (5) Reactor Development and Technology; (6) Licensing and Regulating the Atom; (7) Operational and Public Safety; (8) Nuclear Rocket Propulsion; (9) Specialized Nuclear Power; (10) Isotopic Radiation Applications; (11) Peaceful Nuclear Explosives; (12) International Affairs and Cooperation; (13) Informational and Related Activities; (14) Nuclear Education and Training; (15) Biomedical and Physical Research; (16) Industrial Participation Aspects; and, (17) Administrative and Management Matters.

  17. Annual Report to Congress of the Atomic Energy Commission for 1970

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1971-01-29

    The document represents the 1970 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report opens with ''An Introduction to the Atomic Energy Programs during 1970'' followed by 14 Chapters, 8 appendices and an index. Chapters are as follows: (1) The Industrial Base; (2) Environmental and Safety Aspects; (3) Licensing and Regulating the Atom; (4) Source, Special, and Byproduct Nuclear Materials; (5) National Defense Programs; (6) Reactor Development and Technology; (7) Space Nuclear Systems; (8) Isotopic Systems Development; (9) Peaceful Nuclear Explosives; (10) International Affairs and Cooperation; (11) Nuclear Educational Activities; (12) Biomedical and Physical Research; (13) Administrative and Management Matters; and, (14) License Reviews and Adjudicatory Proceedings.

  18. Annual Report to Congress of the Atomic Energy Commission for 1966

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1967-01-31

    The document represents the 1966 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report opens with a Summary of Atomic Energy Programs in 1966 and includes 18 Chapters, 11 appendices and an index. Chapters are as follows: (1) Licensing and Regulating the Atom; (2) Reactor and Other Nuclear Facility Licensing; (3) The Regulation of Radioactive Materials; (4) Source and Special Nuclear Materials; (5) The Nuclear Defense Effort; (6) Naval Propulsion Reactors; (7) Reactor Development and Technology; (8) Space Nuclear Systems; (9) Isotopic Heat and Power Applications; (10) Isotopic Radiation Applications; (11) The Plowshare Program; (12) International Cooperation Activities; (13) Research Facilities and Projects; (14) Nuclear Education and Training; (15) Informational Activities; (16) Operational Safety; (17) Industrial Participation Aspects; and, (18) Administrative and Management Matters.

  19. Hydrogen atom wave function and eigen energy in the Rindler space

    Science.gov (United States)

    Dai, De-Chang

    2016-10-01

    We study the hydrogen atom eigenstate energy and wave function in the Rindler space. The probability distribution is tilted because the electric field of the nucleus is no longer spherically symmetric. The hydrogen atom therefore cannot be treated exactly in the same way as what it is in an inertial frame. We also find that if the external force accelerates only the nucleus and then the nucleus accelerates its surrounding electrons through electromagnetic force, the electrons can tunnel through the local energy gap and split the hydrogen atom into an ion. This is similar to what one expects from the Stark effect. However, the critical acceleration is about 3 ×1022 m /s2. It is well beyond the gravitational acceleration on a regular star surface.

  20. Probing the energy flow in Bessel light beams using atomic photoionization

    Science.gov (United States)

    Surzhykov, A.; Seipt, D.; Fritzsche, S.

    2016-09-01

    The growing interest in twisted light beams also requires a better understanding of their complex internal structure. Particular attention is currently being given to the energy circulation in these beams as usually described by the Poynting vector field. In the present study we propose to use the photoionization of alkali-metal atoms as a probe process to measure (and visualize) the energy flow in twisted light fields. Such measurements are possible since the angular distribution of photoelectrons, emitted from a small atomic target, appears sensitive to and is determined by the local direction of the Poynting vector. To illustrate the feasibility of the proposed method, detailed calculations were performed for the ionization of sodium atoms by nondiffractive Bessel beams.

  1. Annual Report to Congress of the Atomic Energy Commission for 1969

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1970-01-31

    The document represents the 1969 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report opens with ''An Introduction to the Atomic Energy Programs during 1969'' followed by 17 Chapters, 8 appendices and an index. Chapters are as follows: (1) Source, Special, and Byproduct Nuclear Materials; (2) Nuclear Materials Safeguards; (3) The Nuclear Defense Effort; (4) Naval Propulsion Reactors; (5) Reactor Development and Technology; (6) Licensing and Regulating the Atom; (7) Operational and Public Safety; (8) Space Nuclear Propulsion; (9) Specialized Nuclear Power; (10) Isotopic Radiation Applications; (11) Peaceful Nuclear Explosives; (12) International Affairs and Cooperation; (13) Informational and Related Activities; (14) Nuclear Education and Training; (15) Biomedical and Physical Research; (16) Industrial Participation Aspects; and, (17) Administrative and Management Matters.

  2. Nuclear energy in the service of biomedicine: the U.S. Atomic Energy Commission's radioisotope program, 1946-1950.

    Science.gov (United States)

    Creager, Angela N H

    2006-01-01

    The widespread adoption of radioisotopes as tools in biomedical research and therapy became one of the major consequences of the "physicists' war" for postwar life science. Scientists in the Manhattan Project, as part of their efforts to advocate for civilian uses of atomic energy after the war, proposed using infrastructure from the wartime bomb project to develop a government-run radioisotope distribution program. After the Atomic Energy Bill was passed and before the Atomic Energy Commission (AEC) was formally established, the Manhattan Project began shipping isotopes from Oak Ridge. Scientists and physicians put these reactor-produced isotopes to many of the same uses that had been pioneered with cyclotron-generated radioisotopes in the 1930s and early 1940s. The majority of early AEC shipments were radioiodine and radiophosphorus, employed to evaluate thyroid function, diagnose medical disorders, and irradiate tumors. Both researchers and politicians lauded radioisotopes publicly for their potential in curing diseases, particularly cancer. However, isotopes proved less successful than anticipated in treating cancer and more successful in medical diagnostics. On the research side, reactor-generated radioisotopes equipped biologists with new tools to trace molecular transformations from metabolic pathways to ecosystems. The U.S. government's production and promotion of isotopes stimulated their consumption by scientists and physicians (both domestic and abroad), such that in the postwar period isotopes became routine elements of laboratory and clinical use. In the early postwar years, radioisotopes signified the government's commitment to harness the atom for peace, particularly through contributions to biology, medicine, and agriculture.

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

    Science.gov (United States)

    Harris, Frank E

    2016-05-28

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

  4. Computational insights into the effect of carbon structures at the atomic level for non-aqueous sodium-oxygen batteries

    Science.gov (United States)

    Jiang, H. R.; Wu, M. C.; Zhou, X. L.; Yan, X. H.; Zhao, T. S.

    2016-09-01

    Carbon materials have been widely used to form air cathodes for non-aqueous sodium-oxygen (Nasbnd O2) batteries due to their large specific surface area, high conductivity and low cost. However, the effect of carbon structures at the atomic level remains poorly understood. In this work, a first-principles study is conducted to investigate how representative carbon structures, including graphite (0001) surface, point defects and fractured edge, influence the discharge and charge processes of non-aqueous Nasbnd O2 batteries. It is found that the single vacancy (SV) defect has the largest adsorption energy (5.81 eV) to NaO2 molecule among the structures studied, even larger than that of the NaO2 molecule on NaO2 crystal (2.81 eV). Such high adsorption energy is attributed to two factors: the dangling atoms in SV defects decrease the distance from NaO2 molecules, and the attachment through oxygen atoms increases the electrons transfer. The findings suggest that SV defects can act as the nucleation sites for NaO2 in the discharge process, and increasing the number of SV defects can facilitate the uniform formation of small-sized particles. The uniformly distributed discharge products lower the possibility for pore clogging, leading to an increased discharge capacity and improved cyclability for non-aqueous Nasbnd O2 batteries.

  5. Model for describing non-equilibrium helium plasma energy level population

    Science.gov (United States)

    Kavyrshin, D. I.; Chinnov, V. F.; Ageev, A. G.

    2015-11-01

    A new method for calculating the population of excited levels of helium atoms and ions is suggested. The method is based on direct solution of a system of balance equations for all energy levels for which it was possible to obtain process speed constants. The equations include terms for the processes of particle loss and income by excitation and deexcitation, ionization and recombination as well as losses due to diffusion and radiation. The challenge of solution of such large system is also discussed.

  6. Kinetic Energy Distribution of D(2p) Atoms From Analysis of the D Lyman-a Line Profile

    Science.gov (United States)

    Ciocca, Marco; Ajello, Joseph M.; Liu, Xianming; Maki, Justin

    1997-01-01

    The absolute cross sections of the line center (slow atoms) and wings (fast atoms) and total emission line profile were measured from threshold to 400 eV. Analytical model coeffiecients are given for the energy dependence of the measured slow atom cross section.

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

    Science.gov (United States)

    Harbola, Varun

    2011-01-01

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

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

    Science.gov (United States)

    Harbola, Varun

    2011-01-01

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

  9. Justification of diagnostic medical exposures: some practical issues. Report of an International Atomic Energy Agency Consultation.

    Science.gov (United States)

    Malone, J; Guleria, R; Craven, C; Horton, P; Järvinen, H; Mayo, J; O'reilly, G; Picano, E; Remedios, D; Le Heron, J; Rehani, M; Holmberg, O; Czarwinski, R

    2012-05-01

    The Radiation Protection of Patients Unit of the International Atomic Energy Agency (IAEA) is concerned about the effectiveness of justification of diagnostic medical exposures. Recent published work and the report of an initial IAEA consultation in the area gave grounds for such concerns. There is a significant level of inappropriate usage, and, in some cases, a poor level of awareness of dose and risk among some key groups involved. This article aims to address this. The IAEA convened a second group of experts in November 2008 to review practical and achievable actions that might lead to more effective justification. This report summarises the matters that this group considered and the outcome of their deliberations. There is a need for improved communication, both within professions and between professionals on one hand, and between professionals and the patients/public on the other. Coupled with this, the issue of consent to imaging procedures was revisited. The need for good evidence-based referral guidelines or criteria of acceptability was emphasised, as was the need for their global adaptation and dissemination. Clinical audit was regarded as a key tool in ensuring that justification becomes an effective, transparent and accountable part of normal radiological practice. In summary, justification would be facilitated by the "3 As": awareness, appropriateness and audit.

  10. Sampling and analysis plan for the former Atomic Energy Commission bus lot property

    Energy Technology Data Exchange (ETDEWEB)

    Nielson, R.R.

    1998-07-01

    This sampling and analysis plan (SAP) presents the rationale and strategy for the sampling and analysis activities proposed in support of an initial investigation of the former Atomic Energy Commission (AEC) bus lot property currently owned by Battelle Memorial Institute. The purpose of the proposed sampling and analysis activity is to investigate the potential for contamination above established action levels. The SAP will provide defensible data of sufficient quality and quantity to support recommendations of whether any further action within the study area is warranted. To assist in preparing sampling plans and reports, the Washington State Department of Ecology (Ecology) has published Guidance on Sampling and Data Analysis Methods. To specifically address sampling plans for petroleum-contaminated sites, Ecology has also published Guidance for Remediation of Petroleum Contaminated Sites. Both documents were used as guidance in preparing this plan. In 1992, a soil sample was taken within the current study area as part of a project to remove two underground storage tanks (USTs) at Battelle`s Sixth Street Warehouse Petroleum Dispensing Station (Section 1.3). The results showed that the sample contained elevated levels of total petroleum hydrocarbons (TPH) in the heavy distillate range. This current study was initiated in part as a result of that discovery. The following topics are considered: the historical background of the site, current site conditions, previous investigations performed at the site, an evaluation based on the available data, and the contaminants of potential concern (COPC).

  11. An extension of the Eisberg-Resnick treatment for electron energies in many-electron atoms

    Science.gov (United States)

    Whitaker, M. A. B.; Bennett, I.

    1989-03-01

    Eisberg and Resnick present a simple argument for the energy of an electron in a multielectron atom using the concept of shielding from electrons in inner shells. The results of such a treatment are unfortunately confined so as to be out of range of experimental values. Here, the effect of electrons in outer shells is included, and, in the nonrelativistic region, energies are obtained for electrons in the first and second shells in reasonable agreement with experiment.

  12. Effect of energy transfer from atomic electron shell to an α particle emitted by decaying nucleus

    Energy Technology Data Exchange (ETDEWEB)

    Igashov, S. Yu., E-mail: igashov@theor.mephi.ru [All-Russian Research Institute of Automatics (Russian Federation); Tchuvil’sky, Yu. M. [Moscow State University, Skobeltsyn Institute of Nuclear Physics (Russian Federation)

    2016-12-15

    The process of energy transfer from the electron shell of an atom to an α particle propagating through the shell is formulated mathematically. Using the decay of the {sup 226}Ra nucleus as an example, it is demonstrated that this phenomenon increases the α-decay intensity in contrast with other known effects of similar type. Moreover, the α decay of the nucleus is more strongly affected by the energy transfer than by all other effects taken together.

  13. Local group modes and the dynamics of intramolecular energy transfer across a heavy atom

    OpenAIRE

    Lopez, Vicente; Fairen, Victor; Lederman, Steven M.; Marcus, R.A

    1986-01-01

    The dynamics of energy transfer is discussed for a model system in which two ligands are separated by a heavy atom. Numerical and analytical results are given for the case that each ligand is a CC. In the quasiperiodic regime, the dynamics are interpreted using perturbation theory. Local group modes involved in an intramolecular energy localization which can occur in this regime are identified. An approximate separation of the primarily ligand–ligand motions from the primarily ligand–metal–li...

  14. Molecular markers predicting radiotherapy response: report and recommendations from an International Atomic Energy Agency technical meeting.

    NARCIS (Netherlands)

    West, C.M.; McKay, M.J.; Holscher, T.; Baumann, M.; Stratford, I.J.; Bristow, R.G.; Iwakawa, M.; Imai, T.; Zingde, S.M.; Anscher, M.S.; Bourhis, J.; Begg, A.C.; Haustermans, K.; Bentzen, S.M.; Hendry, J.H.

    2005-01-01

    PURPOSE: There is increasing interest in radiogenomics and the characterization of molecular profiles that predict normal tissue and tumor radioresponse. A meeting in Amsterdam was organized by the International Atomic Energy Agency to discuss this topic on an international basis. METHODS AND MATERI

  15. Electromagnetic separation of stable isotopes at the Institute of Atomic Energy, Academia Sinica

    Science.gov (United States)

    Ming-da, Hua; Gong-pan, Li; Shi-jun, Su; Nai-feng, Mao; Hung-yung, Lu

    1981-07-01

    For almost 20 years the Institute of Atomic Energy, Academia Sinica has been separating stable isotopes of the elements by electromagnetic separators and supplying these materials to research work in many fields of our country. In this article we shall attempt to outline the growth of the effort and describe the present situation.

  16. Presentation to the Atomic Energy Commission and the Air Force, June 14, 1962

    Energy Technology Data Exchange (ETDEWEB)

    none

    1962-10-01

    This volume contains the charts and backup material presented to the Atomic Energy Commission and Air Force on June 14, 1962 concerning General Electric's Nuclear Materials and Propulsion Operation (formerly the Aircraft Nuclear Propulsion Department), during its work on the development of a nuclear power plant for manned aircraft.

  17. A New Method for the Atomic Ground-State Energy in the Screened Coulomb Potential

    Institute of Scientific and Technical Information of China (English)

    YU Peng-Peng; GUO Hua

    2001-01-01

    The new method proposed recently by Friedberg,Lee and Zhao is applied to the derivation of the atomic ground-state energy with the inclusion of the screening effect.The present results are compared with those obtained in the pure Coulomb potential and by the variational approach.The overall good results are obtained with this new method.``

  18. Functional group based Ligand binding affinity scoring function at atomic environmental level

    Science.gov (United States)

    Varadwaj, Pritish Kumar; Lahiri, Tapobrata

    2009-01-01

    Use of knowledge based scoring function (KBSF) for virtual screening and molecular docking has become an established method for drug discovery. Lack of a precise and reliable free energy function that describes several interactions including water-mediated atomic interaction between amino-acid residues and ligand makes distance based statistical measure as the only alternative. Till now all the distance based scoring functions in KBSF arena use atom singularity concept, which neglects the environmental effect of the atom under consideration. We have developed a novel knowledge-based statistical energy function for protein-ligand complexes which takes atomic environment in to account hence functional group as a singular entity. The proposed knowledge based scoring function is fast, simple to construct, easy to use and moreover it tackle the existing problem of handling molecular orientation in active site pocket. We have designed and used Functional group based Ligand retrieval (FBLR) system which can identify and detect the orientation of functional groups in ligand. This decoy searching was used to build the above KBSF to quantify the activity and affinity of high resolution protein-ligand complexes. We have proposed the probable use of these decoys in molecular build-up as a de-novo drug designing approach. We have also discussed the possible use of the said KSBF in pharmacophore fragment detection and pseudo center based fragment alignment procedure. PMID:19255647

  19. Matching renewable energy systems to village-level energy needs

    Energy Technology Data Exchange (ETDEWEB)

    Ashworth, J.H.; Neuendorffer, J.W.

    1980-06-01

    This report provides a five step process for matching alternative renewable energy technologies with energy needs in rural villages of developing countries. Analytic tools are given for each of the five steps as well as information that can be expected. Twelve characterization criteria are developed to assist in the matching process. Three of these criteria, called discrimination criteria, are used for preliminary screening of technology possibilities for each need. The other criteria address site-specific temporal, climatic, social, cultural, and environmental characteristics of the energy need, technology, and cost considerations. To illustrate the matching process, seven basic human needs for energy are matched with seven potential renewable energy technologies. The final portion of the paper discusses the advantages of such a matching process and the resources required to initiate such an effort within a development project. Specific recommendations are given for field-testing this process and actions that could be taken immediately in basic research and development, applied research and technology modification, demonstrations, and commercialization to assist in the future diffusion of renewable energy technologies to rural areas of developing countries.

  20. DNA Free Energy Landscapes and RNA Nano-Self-Assembly Using Atomic Force Microscopy

    Science.gov (United States)

    Frey, Eric William

    There is an important conceptual lesson which has long been appreciated by those who work in biophysics and related interdisciplinary fields. While the extraordinary behavior of biological matter is governed by its detailed atomic structure and random fluctuations, and is therefore difficult to predict, it can nevertheless be understood within simplified frameworks. Such frameworks model the system as consisting of only one or a few components, and model the behavior of the system as the occupation of a single state out of a small number of states available. The emerging widespread application of nanotechnology, such as atomic force microscopy (AFM), has expanded this understanding in eye-opening new levels of detail by enabling nano-scale control, measurement, and visualization of biological molecules. This thesis describes two independent projects, both of which illuminate this understanding using AFM, but which do so from very different perspectives. The organization of this thesis is as follows. Chapter 1 begins with an experimental background and introduction to AFM, and then describes our setup in both single-molecule manipulation and imaging modes. In Chapter 2, we describe the first project, the motivation for which is to extend methods for the experimental determination of the free energy landscape of a molecule. This chapter relies on the analysis of single-molecule manipulation data. Chapter 3 describes the second project, the motivation for which is to create RNA-based nano-structures suitable for future applications in living mammalian cells. This chapter relies mainly on imaging. Chapters 2 and 3 can thus be read and understood separately.

  1. Eigenmode expansion of the polarization for a spherical sample of two-level atoms

    Energy Technology Data Exchange (ETDEWEB)

    Friedberg, Richard [Physics Department, Columbia University, New York, NY 10027 (United States); Manassah, Jamal T., E-mail: jmanassah@gmail.co [HMS Consultants, Inc., PO Box 592, New York, NY 10028 (United States)

    2009-12-07

    We derive pseudo-orthogonality relations for both the magnetic and electric eigenmodes of a system of two-level atoms in a sphere configuration. We verify numerically that an arbitrary vector field can be reconstructed to a great accuracy from these eigenmode expansions. We apply this eigenmode analysis to explore superradiance from a sphere with initially uniform polarization.

  2. Discrete Energies of a Weakly Outcoupled Atom Laser Beam Outside the Bose–Einstein Condensate Region

    Directory of Open Access Journals (Sweden)

    Teguh Budi Prayitno

    2014-12-01

    Full Text Available We consider the possibility of a discrete set of energies of a weakly outcoupled atom laser beam to the homogeneous Schrödinger equation with anisotropic harmonic trap in Cartesian coordinates outside the Bose–Einstein condensate region. This treatment is used because working in the cylindrical coordinates is not really possible, even though we implement the cigar-shaped trap case. The Schrödinger equation appears to replace a set of two-coupled Gross– Pitaevskii equations by enabling the weak-coupling assumption. This atom laser can be produced in a simple way that only involves extracting the atoms in a condensate from by using the radio frequency field. We initially present the relation between condensates as sources and atom laser as an output by exploring the previous work of Riou et al. in the case of theoretical work for the propagation of atom laser beams. We also show that even though the discrete energies are obtained by means of an approaching harmonic oscillator, degeneracy is only available in two states because of the anisotropic external potential

  3. DEVELOPMENT OF ATOM-ECONOMICAL CATALYTIC PATHWAYS FOR CONVERSIONS OF SYNGAS TO ENERGY LIQUIDS

    Energy Technology Data Exchange (ETDEWEB)

    MAHAJAN,D.; WEGRZYN,J.E.; LEE,T.; GUREVICH,M.

    1999-03-01

    The subject of catalytic syngas conversions to fuels and chemicals is well studied (1--3). But globally, the recent focus is on development of technologies that offer an economical route to desired products (4). Economical transport of natural gas from remote locations and within clathrate hydrates is of continuing interest at Brookhaven National Laboratory (BNL). Under this project, a Liquid Phase Low Temperature (LPLT) concept is being applied to attain highly efficient transformations of natural-gas derived syngas to specific products. Furthermore, a more precise term ``Atom Economy'' has been recently introduced by Trost to describe development of highly efficient homogeneously catalyzed synthesis of organic molecules (5). Taken from reference 5, the term ``Atom Economy'' is defined as maximizing the number of atoms of all raw materials that end up in the product with any other reactant required on in catalytic amount. For application to methane transformations that may involve one or more steps, atom economy of each of these steps is critical. The authors, therefore, consider atom-economy synonymous with overall energy efficiency of a process. This paper describes potential liquid products from catalytic syngas conversions, i.e. gas to liquids (GTL) technologies and process considerations that are necessary for economical transport of natural gas. As such, the present study defines an atom-economical standard to directly compare competing GTL technologies.

  4. Open-Loop Control in Quantum Optics: Two-Level Atom in Modulated Optical Field

    CERN Document Server

    Saifullah, Sergei

    2008-01-01

    The methods of mathematical control theory are widely used in the modern physics, but still they are less popular in quantum science. We will discuss the aspects of control theory, which are the most useful in applications to the real problems of quantum optics. We apply this technique to control the behavior of the two-level quantum particles (atoms) in the modulated external optical field in the frame of the so called "semi classical model", where quantum two-level atomic system (all other levels are neglected) interacts with classical electromagnetic field. In this paper we propose a simple model of feedforward (open-loop) control for the quantum particle system, which is a basement for further investigation of two-level quantum particle in the external one-dimensional optical field.

  5. Coordination-resolved local bond strain and 3p energy entrapment of K atomic clusters and K(1 1 0) skin

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ting; Bo, Maolin; Guo, Yongling [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Chen, Hefeng [United Superconductive Institution, Shanghai Jiaotong University, Shanghai 200240 (China); Wang, Yan [School of Information and Electronic Engineering, Hunan University of Science and Technology, Hunan 411201 (China); Huang, Yongli, E-mail: huangyongli@xtu.edu.cn [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Sun, Chang Q., E-mail: ecqsun@ntu.edu.sg [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); School of Information and Electronic Engineering, Hunan University of Science and Technology, Hunan 411201 (China); NOVITAS, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore)

    2015-09-15

    Graphical abstract: - Highlights: • Coordination environment resolves electron binding-energy shift of K{sub 44}, K{sub 46}, K{sub 55} clusters. • Predict the effective coordination number of K nanoclusters when we get the atomic number N. • Atomic under coordination shortens the local bonds and entrapment. • XPS derives core level of an isolated atom and its bulk shift. - Abstract: We have examined the atomic coordination effect on the local bond strain and the 3p core-level shift of K(1 1 0) skin and nanoclusters using a combination of the bond order–length–strength correlation notion, tight-binding approach, density functional theory calculations, and photoelectron spectroscopy measurements. It turns out that: (i) the 3p core-level shifts from 15.595 ± 0.003 eV for an isolated K atom by 2.758 eV to the bulk value of 18.353 eV; (ii) the effective atomic coordination number reduces from the bulk value of 12 to 3.93 for the first layer and to 5.81 for the second layer of K(1 1 0) skin associated with the local lattice strain of 12.76%, a binding energy density 72.67%, and atomic cohesive energy −62.46% for the skin; and (iii) K cluster size reduction lowers the effective atomic coordination number and enhances further the skin electronic attribution. Results have revealed that the 3p core-level shifts of K(1 1 0) and nanoclusters originate from perturbation of the Hamiltonian by under-coordination induced charge densification and quantum entrapment.

  6. Estimating Solar Energy Potential in Buildings on a Global Level

    DEFF Research Database (Denmark)

    Petrichenko, Ksenia

    2015-01-01

    This chapter contributes to the debate around net-zero energy concept from a global perspective. By means of comprehensive modelling, it analyses how much global building energy consumption could be reduced through utilisation of building-integrated solar energy technologies and energy......-efficiency improvements. Valuable insights on the locations and building types, in which it is feasible to achieve a net-zero level of energy performance through solar energy utilisation, are presented in world maps....

  7. Quantum test of the equivalence principle for atoms in coherent superposition of internal energy states

    Science.gov (United States)

    Rosi, G.; D'Amico, G.; Cacciapuoti, L.; Sorrentino, F.; Prevedelli, M.; Zych, M.; Brukner, Č.; Tino, G. M.

    2017-06-01

    The Einstein equivalence principle (EEP) has a central role in the understanding of gravity and space-time. In its weak form, or weak equivalence principle (WEP), it directly implies equivalence between inertial and gravitational mass. Verifying this principle in a regime where the relevant properties of the test body must be described by quantum theory has profound implications. Here we report on a novel WEP test for atoms: a Bragg atom interferometer in a gravity gradiometer configuration compares the free fall of rubidium atoms prepared in two hyperfine states and in their coherent superposition. The use of the superposition state allows testing genuine quantum aspects of EEP with no classical analogue, which have remained completely unexplored so far. In addition, we measure the Eötvös ratio of atoms in two hyperfine levels with relative uncertainty in the low 10-9, improving previous results by almost two orders of magnitude.

  8. Widths of KL$_{2,3}$ atomic level for Ca, Fe, Zn

    CERN Document Server

    Kozioł, Karol

    2014-01-01

    Widths of $KL_{2,3}$ atomic levels for Ca, Fe, Zn has been calculated in a fully-relativistic way using the extensive multiconfiguration Dirac-Fock and modified Dirac-Hartree-Slater calculations. The study of de-excitation of the $K^{-1}L_{2,3}^{-1}$ hole state has been presented. Additionally, the approximation to $KL_{2,3}$ level widths has been examined.

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

    Science.gov (United States)

    Shantappa, A.; Hanagodimath, S. M.

    2014-01-01

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

  10. The role of thermal energy accommodation and atomic recombination probabilities in low pressure oxygen plasmas

    Science.gov (United States)

    Gibson, Andrew Robert; Foucher, Mickaël; Marinov, Daniil; Chabert, Pascal; Gans, Timo; Kushner, Mark J.; Booth, Jean-Paul

    2017-02-01

    Surface interaction probabilities are critical parameters that determine the behaviour of low pressure plasmas and so are crucial input parameters for plasma simulations that play a key role in determining their accuracy. However, these parameters are difficult to estimate without in situ measurements. In this work, the role of two prominent surface interaction probabilities, the atomic oxygen recombination coefficient γ O and the thermal energy accommodation coefficient α E in determining the plasma properties of low pressure inductively coupled oxygen plasmas are investigated using two-dimensional fluid-kinetic simulations. These plasmas are the type used for semiconductor processing. It was found that α E plays a crucial role in determining the neutral gas temperature and neutral gas density. Through this dependency, the value of α E also determines a range of other plasma properties such as the atomic oxygen density, the plasma potential, the electron temperature, and ion bombardment energy and neutral-to-ion flux ratio at the wafer holder. The main role of γ O is in determining the atomic oxygen density and flux to the wafer holder along with the neutral-to-ion flux ratio. It was found that the plasma properties are most sensitive to each coefficient when the value of the coefficient is small causing the losses of atomic oxygen and thermal energy to be surface interaction limited rather than transport limited.

  11. Physics and Its Multiple Roles in the International Atomic Energy Agency

    Science.gov (United States)

    Massey, Charles D.

    2017-01-01

    The IAEA is the world's centre for cooperation in the nuclear field. It was set up as the world's ``Atoms for Peace'' organization in 1957 within the United Nations family. The Agency works with its Member States and multiple partners worldwide to promote the safe, secure and peaceful use of nuclear technologies. Three main areas of work underpin the IAEA's mission: Safety and Security, Science and Technology, and Safeguards and Verification. To carry out its mission, the Agency is authorized to encourage and assist research on, and development and practical application of, atomic energy for peaceful uses throughout the world; foster the exchange of scientific and technical information on peaceful uses of atomic energy; and encourage the exchange of training of scientists and experts in the field of peaceful uses of atomic energy. Nowadays, nuclear physics and nuclear technology are applied in a great variety of social areas, such as power production, medical diagnosis and therapies, environmental protection, security control, material tests, food processing, waste treatments, agriculture and artifacts analysis. This presentation will cover the role and practical application of physics at the IAEA, and, in particular, focus on the role physics has, and will play, in nuclear security.

  12. Kinetic Energy and Angular Distributions of He and Ar Atoms Evaporating from Liquid Dodecane.

    Science.gov (United States)

    Patel, Enamul-Hasan; Williams, Mark A; Koehler, Sven P K

    2017-01-12

    We report both kinetic energy and angular distributions for He and Ar atoms evaporating from C12H26. All results were obtained by performing molecular dynamics simulations of liquid C12H26 with around 10-20 noble gas atoms dissolved in the liquid and by subsequently following the trajectories of the noble gas atoms after evaporation from the liquid. Whereas He evaporates with a kinetic energy distribution of (1.05 ± 0.03) × 2RT (corrected for the geometry used in experiments: (1.08 ± 0.03) × 2RT, experimentally obtained value: (1.14 ± 0.01) × 2RT), Ar displays a kinetic energy distribution that better matches a Maxwell-Boltzmann distribution at the temperature of the liquid ((0.99 ± 0.04) × 2RT). This behavior is also reflected in the angular distributions, which are close to a cosine distribution for Ar but slightly narrower, especially for faster atoms, in the case of He. This behavior of He is most likely due to the weak interaction potential between He and the liquid hydrocarbon.

  13. Effect of Phase Shifted Frequency Modulation on Two Level Atom-Field Interaction

    Institute of Scientific and Technical Information of China (English)

    K.V. Priyesh; Ramesh Babu Thayyullathil

    2012-01-01

    We have studied the effect of phase shifted frequency modulation on two level atom with field interaction using Jaynes-Cummings model. Here the frequency of the interacting field is sinusoidally varying with time with a constant phase. Due to the presence of phase in the frequency modulation, the variation of population inversion with time is different from the standard case. There are no exact collapses and revivals in the variation of population inversion but it oscillates sinusoidally with time. In coherent field atom interaction the population inversion behaves as in the case of Fock state atom interaction, when frequency modulation with a non zero phase is applied. The study done with squeezed field has shown the same behavior of the population inversion.

  14. Quasiclassical approach to high-energy QED processes in strong laser and atomic fields

    CERN Document Server

    Di Piazza, A

    2012-01-01

    An approach, based on the use of the quasiclassical Green's function, is developed for investigating high-energy quantum electrodynamical processes in combined strong laser and atomic fields. Employing an operator technique, we derive the Green's function of the Dirac equation in an arbitrary plane wave and a localized potential. Then, we calculate the total cross section of high-energy electron-positron photoproduction in an atomic field of arbitrary charge number (Bethe-Heitler process) in the presence of a strong laser field. It is shown that the laser field substantially modifies the cross section at already available incoming photon energies and laser parameters. This makes it feasible to observe the analogous effect in a laser field of the Landau-Pomeranchuk-Migdal effect for the Bethe-Heitler process.

  15. Construction of the energy matrix for complex atoms. Part VI: Core polarization effects

    Science.gov (United States)

    Elantkowska, Magdalena; Ruczkowski, Jarosław; Dembczyński, Jerzy

    2016-12-01

    The continuation of series of papers concerning the construction of the energy matrix for complex atoms is presented. The second-order perturbation theory contributions originating from core polarization effects in the hyperfine structure are considered. Fifteen new formulae for angular coefficients of core polarization parameters are given. The complete set of corrections up to the second-order perturbation theory was taken into account and the accuracy of the wave functions in the intermediate coupling scheme, on the example of the lanthanum atom, was checked.

  16. Circular dichroism in free-free transitions of high energy electron-atom scattering

    CERN Document Server

    Cionga, Aurelia; Zloh, Gabriela; 10.1103/PhysRevA.62.063406

    2013-01-01

    We consider high energy electron scattering by hydrogen atoms in the presence of a laser field of moderate power and higher frequencies. If the field is a superposition of a linearly and a circularly polarized laser beam in a particular configuration, then we can show that circular dichroism in two photon transitions can be observed not only for the differential but also for the integrated cross sections, provided the laser-dressing of the atomic target is treated in second order perturbation theory and the coupling between hydrogenic bound and continuum states is involved.

  17. Reduction of Fermi level pinning at Au-MoS2 interfaces by atomic passivation on Au surface

    Science.gov (United States)

    Min, Kyung-Ah; Park, Jinwoo; Wallace, Robert M.; Cho, Kyeongjae; Hong, Suklyun

    2017-03-01

    Monolayer molybdenum disulfide (MoS2), which is a semiconducting material with direct band gap of ˜1.8 eV, has drawn much attention for application in field effect transistors (FETs). In this connection, it is very important to understand the Fermi level pinning (FLP) which occurs at metal-semiconductor interfaces. It is known that MoS2 has an n-type contact with Au, which is a high work function metal, representing the strong FLP at Au-MoS2 interfaces. However, such FLP can obstruct the attainment of high performance of field effect devices. In this study, we investigate the reduction of FLP at Au-MoS2 interfaces by atomic passivation on Au(111) using first-principles calculations. To reduce the FLP at Au-MoS2 interfaces, we consider sulfur, oxygen, nitrogen, fluorine, and hydrogen atoms that can passivate the surface of Au(111). Calculations show that passivating atoms prevent the direct contact between Au(111) and MoS2, and thus FLP at Au-MoS2 interfaces is reduced by weak interaction between atom-passivated Au(111) and MoS2. Especially, FLP is greatly reduced at sulfur-passivated Au-MoS2 interfaces with the smallest binding energy. Furthermore, fluorine-passivated Au(111) can form ohmic contact with MoS2, representing almost zero Schottky barrier height (SBH). We suggest that SBH can be controlled depending on the passivating atoms on Au(111).

  18. Diffusion simulation of Cr-Fe bcc systems at atomic level using a random walk algorithm

    Energy Technology Data Exchange (ETDEWEB)

    San Sebastian, I.; Aldazabal, J. [CEIT and Tecnun (University of Navarra), San Sebastian (Spain); Capdevila, C.; Garcia-Mateo, C. [MATERALIA Research Group, Department of Physical Metallurgy, Centro Nacional de Investigaciones Metalurgicas (CENIM-CSIC), Avda. Gregorio del Amo 8, 28040 Madrid (Spain)

    2008-06-15

    This paper proposes a model to simulate the diffusion of impurities in bcc atomic lattices. It works with three-dimensional volume, divided in small cubic elements (voxels), containing more than one atomic cell each. Once the domain is discretized, impurities jump from one voxel to another according to certain probability that takes into account the composition and geometry of the target voxel. In the present work, a model was applied to a prismatic volume and in order to deduce the relationship between the atomic jumping frequency and the temperature two different cases were studied. One consists of a Fe matrix with Cr impurities, and the other is based on a Cr matrix with Fe impurities. Results obtained from these simulations were compared with profiles obtained by Dictra software. Results for the atomic jumping frequencies were fitted to an Arrhenius type equation, as shown in following expressions: From these equations it is possible to obtain an activation energy for the atomic jumping phenomenon of {proportional_to}306 kJ/mol and {proportional_to}411 kJ/mol for the Fe-matrix and Cr-matrix systems, respectively. These energies match the empirical measured values for the diffusion of Cr and Fe impurities, 250 kJ/mol and 407 kJ/mol, respectively. Results obtained in this work assure that the proposed model is suitable for simulating the three-dimensional diffusion of substitutional impurities in Cr and Fe bcc systems. It could be easily expanded to other bcc matrix systems. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. Cost optimal levels for energy performance requirements

    DEFF Research Database (Denmark)

    Thomsen, Kirsten Engelund; Aggerholm, Søren; Kluttig-Erhorn, Heike;

    This report summarises the work done within the Concerted Action EPBD from December 2010 to April 2011 in order to feed into the European Commission's proposal for a common European procedure for a Cost-Optimal methodology under the Directive on the Energy Performance of Buildings (recast) 2010/3...

  20. A simple atomic-level hydrophobicity scale reveals protein interfacial structure.

    Science.gov (United States)

    Kapcha, Lauren H; Rossky, Peter J

    2014-01-23

    Many amino acid residue hydrophobicity scales have been created in an effort to better understand and rapidly characterize water-protein interactions based only on protein structure and sequence. There is surprisingly low consistency in the ranking of residue hydrophobicity between scales, and their ability to provide insightful characterization varies substantially across subject proteins. All current scales characterize hydrophobicity based on entire amino acid residue units. We introduce a simple binary but atomic-level hydrophobicity scale that allows for the classification of polar and non-polar moieties within single residues, including backbone atoms. This simple scale is first shown to capture the anticipated hydrophobic character for those whole residues that align in classification among most scales. Examination of a set of protein binding interfaces establishes good agreement between residue-based and atomic-level descriptions of hydrophobicity for five residues, while the remaining residues produce discrepancies. We then show that the atomistic scale properly classifies the hydrophobicity of functionally important regions where residue-based scales fail. To illustrate the utility of the new approach, we show that the atomic-level scale rationalizes the hydration of two hydrophobic pockets and the presence of a void in a third pocket within a single protein and that it appropriately classifies all of the functionally important hydrophilic sites within two otherwise hydrophobic pores. We suggest that an atomic level of detail is, in general, necessary for the reliable depiction of hydrophobicity for all protein surfaces. The present formulation can be implemented simply in a manner no more complex than current residue-based approaches.

  1. Comparison of energy performance requirements levels

    DEFF Research Database (Denmark)

    Spiekman, Marleen; Thomsen, Kirsten Engelund; Rose, Jørgen;

    the present Dutch requirement level (EPC) of 0,8 with the present Flemish level of E80, it can easily be seen that direct comparison is not possible. The conclusions and recommendations of the study are presented in part A. These constitute the most important result of the project. Part B gives an overview...

  2. Investigation of energy thresholds of atomic and cluster sputtering of some elements under ion bombardment

    CERN Document Server

    Atabaev, B G; Lifanova, L F

    2002-01-01

    Threshold energies of sputtering of negative cluster ions from the Si(111) surface were measured at bombardment by Cs sup + , Rb sup + , and Na sup + ions with energy of 0.1-3.0 keV. These results are compared with the calculations of the similar thresholds by Bohdansky etc. formulas (3) for clusters Si sub n sup - and Cu sub n sup - with n=(1-5) and also for B, C, Al, Si, Fe, Cu atoms. Threshold energies of sputtering for the above elements were also estimated using the data from (5). Satisfactory agreement between the experimental and theoretical results was obtained. (author)

  3. Japan Returns to Atom. Current Status and Prospects of the Japanese Nuclear Energy

    Directory of Open Access Journals (Sweden)

    Łukasz Tolak

    2015-12-01

    Full Text Available In a year and a half after the events of March 2011, Japan excluded all their nuclear reactors, returning to fossil fuels as a basis in the energy field. The shock associated with nuclear disaster seemed to indicate an ultimate end of Japanese adventure with the atom. The situation has, however, significantly changed during the last several months, and the first nuclear reactor connected again to the electric network, is a proof of the change of the energy policy. The article aims to identify the current state of knowledge on the future of nuclear energy in the Japanese energy sector and adjustments proposed in the future energy mix. At the same time, it is an attempt to analyze the reasons that led the current Government of Prime Minister Abe to take very unpopular decisions to return to nuclear energy.

  4. Trajectory-dependent energy loss for swift He atoms axially scattered off a silver surface

    Energy Technology Data Exchange (ETDEWEB)

    Ríos Rubiano, C.A. [Instituto de Astronomía y Física del Espacio (CONICET-UBA), Casilla de correo 67, sucursal 28, 1428 Buenos Aires (Argentina); Bocan, G.A. [Centro Atómico Bariloche, Comisión Nacional de Energía Ató mica, and Consejo Nacional de Investigaciones Científicas y Técnicas, S.C. de Bariloche, Río Negro (Argentina); Juaristi, J.I. [Departamento de Física de Materiales, Facultad de Químicas, UPV/EHU, 20018 San Sebastián (Spain); Donostia International Physics Center (DIPC) and Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), 20018 San Sebastián (Spain); Gravielle, M.S., E-mail: msilvia@iafe.uba.ar [Instituto de Astronomía y Física del Espacio (CONICET-UBA), Casilla de correo 67, sucursal 28, 1428 Buenos Aires (Argentina)

    2014-12-01

    Angle- and energy-loss-resolved distributions of helium atoms grazingly scattered from a Ag(110) surface along low indexed crystallographic directions are investigated considering impact energies in the few keV range. Final projectile distributions are evaluated within a semi-classical formalism that includes dissipative effects due to electron–hole excitations through a friction force. For mono-energetic beams impinging along the [11{sup ¯}0],[11{sup ¯}2] and [001] directions, the model predicts the presence of multiple peak structures in energy-loss spectra. Such structures provide detailed information about the trajectory-dependent energy loss. However, when the experimental dispersion of the incident beam is taken into account, these energy-loss peaks are completely washed out, giving rise to a smooth energy-loss distribution, in fairly good agreement with available experimental data.

  5. Energy levels, radiative rates and electron impact excitation rates for transitions in Al X

    CERN Document Server

    Aggarwal, K M

    2013-01-01

    Energy levels, radiative rates and lifetimes are calculated among the lowest 98 levels of the n <= 4 configurations of Be-like Al X. The GRASP (General-purpose Relativistic Atomic Structure Package) is adopted and data are provided for all E1, E2, M1 and M2 transitions. Similar data are also obtained with the Flexible Atomic Code (FAC) to assess the accuracy of the calculations. Based on comparisons between calculations with the two codes as well as with available measurements, our listed energy levels are assessed to be accurate to better than 0.3%. However, the accuracy for radiative rates and lifetimes is estimated to be about 20%. Collision strengths are also calculated for which the Dirac Atomic R-matrix Code (DARC) is used. A wide energy range (up to 380 Ryd) is considered and resonances resolved in a fine energy mesh in the thresholds region. The collision strengths are subsequently averaged over a Maxwellian velocity distribution to determine effective collision strengths up to a temperature of 1.6...

  6. Optical meta-atom for localization of light with quantized energy

    CERN Document Server

    Lannebère, Sylvain

    2015-01-01

    The capacity to confine light into a small region of space is of paramount importance in many areas of modern science. Here, we suggest a mechanism to store a quantized "bit" of light - with a very precise amount of energy - in an open core-shell plasmonic structure ("meta-atom") with a nonlinear optical response. Notwithstanding the trapped light state is embedded in the radiation continuum, its lifetime is not limited by the radiation loss. Interestingly, it is shown that the interplay between the nonlinear response and volume plasmons enables breaking fundamental reciprocity restrictions, and coupling very efficiently an external light source to the meta-atom. The collision of an incident optical pulse with the meta-atom may be used to release the trapped radiation "bit".

  7. On Atoms-in-Molecules Energies from Kohn-Sham Calculations.

    Science.gov (United States)

    Tognetti, Vincent; Joubert, Laurent

    2017-10-06

    Herein, we discuss three methods to partition the total molecular energy into additive atomic contributions within the framework of Bader's atoms-in-molecules theory and in the particular context of Kohn-Sham density functional theory. The first method is derived from the virial theorem, whereas the two other schemes, termed "standard" and "model", are based on Pendás' interacting-quantum-atoms decomposition. The methods are then compared for a dataset of molecules of interest for direct application in organic chemistry and biochemistry. Finally, the relevance of the three methods for the prediction of intrinsic reactivity properties (e.g., electrophilicity) or for unravelling the nature of chemical bonding (e.g., in halogen bonds, beyond the pure electrostatic point of view), is examined and paves the way for their more systematic use for the in silico design of new reactants. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. The energy levels and transition properties of In-like ions

    Science.gov (United States)

    Wang, H.-W.; Zhang, L.; Jiang, G.; Li, X.-F.; Wang, H.-B.

    2017-08-01

    The energy levels and transition properties of In-like ions are investigated by using the multi-configuration Dirac-Hartree-Fock method. The results for the energy levels, transition probabilities, wavelengths, line strengths and lifetimes of In-like Cs VII—Pm XIII are reported. Relativistic effects and electron correlation are included. Our calculations agree well with the experimental and other theoretical values. The new data of energy levels and transition parameters are predicted. The level crossing happens between the configurations 5s 24f and 5s 25p with increasing nuclear charge. The transition frequencies are within the range of usual lasers because of the level crossing. In-like ions may be developed into atomic clock.

  9. Effects of the interaction between the magnetic moments of the proton and electron on the energy states of hydrogen atom

    CERN Document Server

    Dolocan, Voicu

    2014-01-01

    We make a comparison between the energy levels of the hydrogen atom, calculated by using standard methods, and that by using a modified Coulomb potential due to the interaction between the magnetic moments of the proton and electron. In this later method we use to ways. One is that in which we solve the Schroedinger equation with the modified Coulomb potential and some constraint conditions. The other is that in which we expand the modified Coulomb potential in Taylor series. The obtained results show that the first way gives a better agreement with experimental data.

  10. Current status of the AMS facility at the Tono Geoscience Center of the Japan Atomic Energy Agency

    Energy Technology Data Exchange (ETDEWEB)

    Saito-Kokubu, Y., E-mail: kokubu.yoko@jaea.go.jp [Japan Atomic Energy Agency, Toki, Gifu 509-5102 (Japan); Nishizawa, A.; Suzuki, M.; Ohwaki, Y.; Nishio, T. [Pesco Corp., Ltd., Toki, Gifu 509-5123 (Japan); Matsubara, A.; Saito, T.; Ishimaru, T.; Umeda, K.; Hanaki, T. [Japan Atomic Energy Agency, Toki, Gifu 509-5102 (Japan)

    2013-01-15

    The JAEA-AMS-TONO system is routinely used for {sup 14}C measurements at Tono Geoscience Center, Japan Atomic Energy Agency (JAEA) and applied to neotectonics and hydrogeology, in support of research on geosphere stability applicable to the long-term isolation of high-level radioactive waste. {sup 10}Be AMS has been developed for geochronological studies to estimate sedimentation rates and exposure age of basement rocks, incorporating a gas ionization detector with a large-volume gas absorber cell. Test measurements on {sup 14}C and {sup 10}Be reference materials show the system's performance and suitability for application in the geosciences.

  11. Visualizing the large-$Z$ scaling of the kinetic energy density of atoms

    CERN Document Server

    Cancio, Antonio C

    2016-01-01

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

  12. ATOMIC-LEVEL IMAGING OF CO2 DISPOSAL AS A CARBONATE MINERAL: OPTIMIZING REACTION PROCESS DESIGN

    Energy Technology Data Exchange (ETDEWEB)

    M.J. McKelvy; R. Sharma; A.V.G. Chizmeshya; H. Bearat; R.W. Carpenter

    2002-11-01

    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 (1) its structural and chemical simplicity, (2) interest in Mg(OH){sub 2} gas-solid carbonation as a potentially cost-effective CO{sub 2} mineral sequestration process component, and (3) 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 final report covers the overall progress of this grant.

  13. Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition.

    Science.gov (United States)

    Parrish, Robert M; Sherrill, C David

    2014-07-28

    We develop a physically-motivated assignment of symmetry adapted perturbation theory for intermolecular interactions (SAPT) into atom-pairwise contributions (the A-SAPT partition). The basic precept of A-SAPT is that the many-body interaction energy components are computed normally under the formalism of SAPT, following which a spatially-localized two-body quasiparticle interaction is extracted from the many-body interaction terms. For electrostatics and induction source terms, the relevant quasiparticles are atoms, which are obtained in this work through the iterative stockholder analysis (ISA) procedure. For the exchange, induction response, and dispersion terms, the relevant quasiparticles are local occupied orbitals, which are obtained in this work through the Pipek-Mezey procedure. The local orbital atomic charges obtained from ISA additionally allow the terms involving local orbitals to be assigned in an atom-pairwise manner. Further summation over the atoms of one or the other monomer allows for a chemically intuitive visualization of the contribution of each atom and interaction component to the overall noncovalent interaction strength. Herein, we present the intuitive development and mathematical form for A-SAPT applied in the SAPT0 approximation (the A-SAPT0 partition). We also provide an efficient series of algorithms for the computation of the A-SAPT0 partition with essentially the same computational cost as the corresponding SAPT0 decomposition. We probe the sensitivity of the A-SAPT0 partition to the ISA grid and convergence parameter, orbital localization metric, and induction coupling treatment, and recommend a set of practical choices which closes the definition of the A-SAPT0 partition. We demonstrate the utility and computational tractability of the A-SAPT0 partition in the context of side-on cation-π interactions and the intercalation of DNA by proflavine. A-SAPT0 clearly shows the key processes in these complicated noncovalent interactions, in

  14. Calculations of Self-diffusion Activation Energies for Alkaline Metals With Embedded Atom Method

    Institute of Scientific and Technical Information of China (English)

    欧阳义芳; 张邦维; 廖树帜

    1994-01-01

    Calculations were performed for the self-diffusion activation energies of monovacancy and both formation and binding energies of divacancies for alkaline metals Li, Na, K, Rb, Cs using the embedded atom method (EAM) model for bcc transition metals developed by the authors recently. The aim of the paper is to extend the application of the new model, to compare the calculated values for self-diffusion with the experimental data and those of previous calculations, and to discuss the intrinsic characteristic of self-diffusion in alkaline metals. The calculated monovacancy migration energies and activation energies are in excellent agreement with experimental data, and the calculated divacancy migration and activation energies are in good agreement with the experimental values available.

  15. U.S. Radioecology Research Programs of the Atomic Energy Commission in the 1950s

    Energy Technology Data Exchange (ETDEWEB)

    Reichle, D.E.

    2004-01-12

    This report contains two companion papers about radiological and environmental research that developed out of efforts of the Atomic Energy Commission in the late 1940s and the 1950s. Both papers were written for the Joint U.S.-Russian International Symposium entitled ''History of Atomic Energy Projects in the 1950s--Sociopolitical, Environmental, and Engineering Lessons Learned,'' which was hosted by the International Institute for Applied Systems Analysis in Laxemberg, Austria, in October 1999. Because the proceedings of this symposium were not published, these valuable historic reviews and their references are being documented as a single ORNL report. The first paper, ''U.S. Radioecology Research Programs Initiated in the 1950s,'' written by David Reichle and Stanley Auerbach, deals with the formation of the early radioecological research programs at the U.S. Atomic Energy Commission's nuclear production facilities at the Clinton Engineering Works in Oak Ridge, Tennessee; at the Hanford Plant in Richland, Washington; and at the Savannah River Plant in Georgia. These early radioecology programs were outgrowths of the environmental monitoring programs at each site and eventually developed into the world renowned National Laboratory environmental program sponsored by the Office of Biological and Environmental Research of the U.S. Department of Energy. The original version of the first paper was presented by David Reichle at the symposium. The second paper, ''U.S. Atomic Energy Commission's Environmental Research Programs Established in the 1950s,'' summarizes all the environmental research programs supported by the U.S. Atomic Energy Commission in the 1950s and discusses their present-day legacies. This paper is a modified, expanded version of a paper that was published in September 1997 in a volume commemorating the 50th anniversary symposium of the U.S. Department of Energy's Office of

  16. Entanglement and non-Markovianity of a multi-level atom decaying in a cavity

    Science.gov (United States)

    Zi-Long, Fan; Yu-Kun, Ren; Hao-Sheng, Zeng

    2016-01-01

    We present a paradigmatic method for exactly studying non-Markovian dynamics of a multi-level V-type atom interacting with a zero-temperature bosonic bath. Special attention is paid to the entanglement evolution and the dynamical non-Markovianity of a three-level V-type atom. We find that the entanglement negativity decays faster and non-Markovianity is smaller in the resonance regions than those in the non-resonance regions. More importantly, the quantum interference between the dynamical non-Markovianities induced by different transition channels is manifested, and the frequency domains for constructive and destructive interferences are found. Project supported by the National Natural Science Foundation of China (Grant Nos. 11275064 and 11075050), the Specialized Research Fund for the Doctoral Program of Higher Education, China (Grant No. 20124306110003), and the Construct Program of the National Key Discipline, China.

  17. Dynamical decoherence in a cavity with a large number of two-level atoms

    CERN Document Server

    Frasca, M

    2004-01-01

    We consider a large number of two-level atoms interacting with the mode of a cavity in the rotating-wave approximation (Tavis-Cummings model). We apply the Holstein-Primakoff transformation to study the model in the limit of the number of two-level atoms, all in their ground state, becoming very large. The unitary evolution that we obtain in this approximation is applied to a macroscopic superposition state showing that, when the coherent states forming the superposition are enough distant, then the state collapses on a single coherent state describing a classical radiation mode. This appear as a true dynamical effect that could be observed in experiments with cavities.

  18. The dispersive properties of an excited-doublet four-level atomic system

    Institute of Scientific and Technical Information of China (English)

    Hu Zheng-Feng; Deng Jian-Liao; Wang Yu-Zhu

    2008-01-01

    We have investigated the dispersive properties of excited-doublet four-level atoms interacting with a weak probe field and an intense coupling laser field.We have derived an analytical expression of the dispersion relation for a general excited-doublet four-level atomic system sunject to a one-photon detuning.The numerical results demonstrate that for a typical rubidium D1 line configuration,due to the unequal dipole moments for the transitions of each ground state to double excited states,generally there exists no exact dark state in the system.Close to the two-photon resonance,the probe light can be absorbed or gained and propagate in the so-called superluminal form.This system may be used as an optical switch.

  19. Temperature limits in laser cooling of free atoms with three-level cascade transitions

    CERN Document Server

    Cruz, Flavio C; Magno, Wictor C

    2013-01-01

    We employ semiclassical theoretical analysis to study laser cooling of free atoms using three-level cascade transitions, where the upper transition is much weaker than the lower one. This represents an alternate cooling scheme, particularly useful for group II atoms. We find that temperatures below the Doppler limits associated with each of these transitions are expected. The lowest temperatures arise from a remarkable increase in damping and reduced diffusion compared to two-level cooling. They are reached at the two-photon resonance, where there is a crossing between the narrow and the partially-dark dressed states, and can be estimated simply by the usual Doppler limit considering the decay rate of the optical coherence between these states.

  20. Annual Report to Congress of the Atomic Energy Commission for 1971

    Energy Technology Data Exchange (ETDEWEB)

    Schlesinger, James R.

    1971-01-31

    The document represents the 1971 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report opens with ''An Introduction to the Atomic Energy Programs during 1971'' followed by 3 Parts, each with various chapters, plus a final index. Parts and Chapters are as follows. Part One, Regulatory Activities, has Chapters (1) Licensing and Regulation; (2) Reactor Licensing; and (3) Materials Control. Part Two, Environmental Safety, has Chapters (4) Environmental Considerations; (5) Radioactive Wastes; and (6), Operational Safety. Part Three, Operating and Developmental Functions, has Chapters (7) National Defense; (8) Reactor Technology; (9) Nuclear Materials; (10) Applications Research; (11) Basic Research; (12) International Affairs; and, (13) Educational and Administrative.

  1. Electronic torsional sound in linear atomic chains: chemical energy transport at 1000 km/s

    CERN Document Server

    Kurnosov, Arkady A; Maksymov, Andrii A; Burin, Alexander L

    2016-01-01

    We investigate entirely electronic torsional vibrational modes in linear cumulene chains. The carbon nuclei of a cumulene are positioned along the primary axis so they can participate only in transverse and longitudinal motions. However, the interatomic electronic clouds behave as a torsion spring with remarkable torsional stiffness. The collective dynamics of these clouds can be described in terms of electronic vibrational quanta, which we name torsitons. It is shown that the group velocity of the wavepacket of torsitons is much higher than the typical speed of sound, because of the small mass of participating electrons compared to the atomic mass. For the same reason the maximum energy of the torsitons in cumulenes is as high as a few electronvolts, while the minimum possible energy is evaluated as a few hundred wavenumbers and this minimum is associated with asymmetry of zero point atomic vibrations. Molecular systems for experimental evaluation of the predictions are proposed.

  2. Secondary electron emission from Au by medium energy atomic and molecular ions

    CERN Document Server

    Itoh, A; Obata, F; Hamamoto, Y; Yogo, A

    2002-01-01

    Number distributions of secondary electrons emitted from a Au metal surface have been measured for atomic and molecular ions of H sup + , He sup + , C sup + , N sup + , O sup + , H sup + sub 2 , H sup + sub 3 , HeH sup + , CO sup + and O sup + sub 2 in the energy range 0.3-2.0 MeV. The emission statistics obtained are described fairly well by a Polya function. The Polya parameter b, determining the distribution shape, is found to decrease monotonously with increasing emission yield gamma, revealing a surprising relationship of b gamma approx 1 over the different projectile species and impact energies. This finding supports certainly the electron cascading model. Also we find a strong negative molecular effect for heavier molecular ions, showing a significant reduction of gamma compared to the estimated values using constituent atomic projectile data.

  3. Formation of nanostructures on HOPG surface in presence of surfactant atom during low energy ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Ranjan, M., E-mail: ranjanm@ipr.res.in; Joshi, P.; Mukherjee, S.

    2016-07-15

    Low energy ions beam often develop periodic patterns on surfaces under normal or off-normal incidence. Formation of such periodic patterns depends on the substrate material, the ion beam parameters, and the processing conditions. Processing conditions introduce unwanted contaminant atoms, which also play strong role in pattern formation by changing the effective sputtering yield of the material. In this work we have analysed the effect of Cu, Fe and Al impurities introduced during low energy Ar{sup +} ion irradiation on HOPG substrate. It is observed that by changing the species of foreign atoms the surface topography changes drastically. The observed surface topography is co-related with the modified sputtering yield of HOPG. Presence of Cu and Fe amplify the effective sputtering yield of HOPG, so that the required threshold for the pattern formation is achieved with the given fluence, whereas Al does not lead to any significant change in the effective yield and hence no pattern formation occurs.

  4. Protein structure prediction by all-atom free-energy refinement

    Directory of Open Access Journals (Sweden)

    Wenzel Wolfgang

    2007-03-01

    Full Text Available Abstract Background The reliable prediction of protein tertiary structure from the amino acid sequence remains challenging even for small proteins. We have developed an all-atom free-energy protein forcefield (PFF01 that we could use to fold several small proteins from completely extended conformations. Because the computational cost of de-novo folding studies rises steeply with system size, this approach is unsuitable for structure prediction purposes. We therefore investigate here a low-cost free-energy relaxation protocol for protein structure prediction that combines heuristic methods for model generation with all-atom free-energy relaxation in PFF01. Results We use PFF01 to rank and cluster the conformations for 32 proteins generated by ROSETTA. For 22/10 high-quality/low quality decoy sets we select near-native conformations with an average Cα root mean square deviation of 3.03 Å/6.04 Å. The protocol incorporates an inherent reliability indicator that succeeds for 78% of the decoy sets. In over 90% of these cases near-native conformations are selected from the decoy set. This success rate is rationalized by the quality of the decoys and the selectivity of the PFF01 forcefield, which ranks near-native conformations an average 3.06 standard deviations below that of the relaxed decoys (Z-score. Conclusion All-atom free-energy relaxation with PFF01 emerges as a powerful low-cost approach toward generic de-novo protein structure prediction. The approach can be applied to large all-atom decoy sets of any origin and requires no preexisting structural information to identify the native conformation. The study provides evidence that a large class of proteins may be foldable by PFF01.

  5. Scaled-Down Moderator Circulation Test Facility at Korea Atomic Energy Research Institute

    OpenAIRE

    2016-01-01

    Korea Atomic Energy Research Institute (KAERI) started the experimental research on moderator circulation as one of a the national research and development programs from 2012. This research program includes the construction of the moderator circulation test (MCT) facility, production of the validation data for self-reliant computational fluid dynamics (CFD) tools, and development of optical measurement system using the particle image velocimetry (PIV). In the present paper we introduce the sc...

  6. Synergistic effect of fluorination on molecular energy level modulation in highly efficient photovoltaic polymers.

    Science.gov (United States)

    Zhang, Maojie; Guo, Xia; Zhang, Shaoqing; Hou, Jianhui

    2014-02-01

    The synergistic effect of fluorination on molecular energy level modulation is realized by introducing fluorine atoms onto both the donor and the acceptor moieties in a D-A polymer, and as a result, the polymer solar cell device based on the trifluorinated polymer, PBT-3F, shows a high efficiency of 8.6%, under illumination of AM 1.5G, 100 mW cm(-) (2) . © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. The excitation of a two-level atom by a propagating light pulse

    CERN Document Server

    Wang, Yimin; Scarani, Valerio

    2010-01-01

    State mapping between atoms and photons, and photon-photon interactions play an important role in scalable quantum information processing. We consider the interaction of a two-level atom with a quantized \\textit{propagating} pulse in free space and study the probability $P_e(t)$ of finding the atom in the excited state at any time $t$. This probability is expected to depend on (i) the quantum state of the pulse field and (ii) the overlap between the pulse and the dipole pattern of the atomic spontaneous emission. In the full three-dimensional vector model for the field, we show that the second effect is captured by a single parameter $\\Lambda\\in[0,8\\pi/3]$, obtained by weighing the numerical aperture with the dipole pattern. Then $P_e(t)$ can be obtained by solving time-dependent Heisenberg-Langevin equations. We provide detailed solutions for both single-photon states and coherent states and for various shapes of the pulse.

  8. proEQUIB: IDL/GDL library for atomic level populations and line emissivities in statistical equilibrium

    Science.gov (United States)

    Danehkar, Ashkbiz

    2016-11-01

    The proEQUIB library calculates atomic level populations and line emissivities in statistical equilibrium in multi-level atoms for different physical conditions of stratified layers in a nebula where chemical elements are ionized. It includes an Interactive Data Language (IDL)/GNU Data Language (GDL) implementation of the Fortran code EQUIB (ascl:1603.005).

  9. Density matrix reconstruction of three-level atoms via Rydberg electromagnetically induced transparency

    Science.gov (United States)

    Gavryusev, V.; Signoles, A.; Ferreira-Cao, M.; Zürn, G.; Hofmann, C. S.; Günter, G.; Schempp, H.; Robert-de-Saint-Vincent, M.; Whitlock, S.; Weidemüller, M.

    2016-08-01

    We present combined measurements of the spatially resolved optical spectrum and the total excited-atom number in an ultracold gas of three-level atoms under electromagnetically induced transparency conditions involving high-lying Rydberg states. The observed optical transmission of a weak probe laser at the center of the coupling region exhibits a double peaked spectrum as a function of detuning, while the Rydberg atom number shows a comparatively narrow single resonance. By imaging the transmitted light onto a charge-coupled-device camera, we record hundreds of spectra in parallel, which are used to map out the spatial profile of Rabi frequencies of the coupling laser. Using all the information available we can reconstruct the full one-body density matrix of the three-level system, which provides the optical susceptibility and the Rydberg density as a function of spatial position. These results help elucidate the connection between three-level interference phenomena, including the interplay of matter and light degrees of freedom and will facilitate new studies of many-body effects in optically driven Rydberg gases.

  10. Selective preparation of the maximum coherent superposition state in four-level atoms

    Institute of Scientific and Technical Information of China (English)

    Li Deng; Yueping Niu; Shangqing Gong

    2011-01-01

    We demonstrate that the maximum coherent superposition state can be selectively prepared using a sequence of pulse pairs in lambda-type atomic systems, with the final level as a doublet. In each pair, the Stocks pulse comes before the pump pulse, with their back edges overlapping. Numerical results indicate that by tuning the interval of the adjacent pulse pairs, the selective maximum coherent superposition state preparation between the initial and one of the final levels can be achieved. The phenomenon is caused by the accumulative property of the pulse sequence.%The coherent superposition state in atoms or molecules plays a crucial role in quantum physics.It has applications in many areas such as electromagnetically induced transparency[1-5],quantum information[6-8] and control of chemical reaction[9-11].Many schemes can prepare the coherent superposition state.For instance,the fractional stimulated Raman adiabatic passage(F-STIRAP) [12] and the coherent population trapping[13] can obtain the maximum coherent superposition state of the two lower levels in lambda-type atoms.Our group also proposed several schemes to achieve this goal,such as the methods based on the STIRAP[14,15] and the pulse train method[16].

  11. Density matrix reconstruction of three-level atoms via Rydberg electromagnetically induced transparency

    CERN Document Server

    Gavryusev, V; Ferreira-Cao, M; Zürn, G; Hofmann, C S; Günter, G; Schempp, H; Robert-de-Saint-Vincent, M; Whitlock, S; Weidemüller, M

    2016-01-01

    We present combined measurements of the spatially-resolved optical spectrum and the total excited-atom number in an ultracold gas of three-level atoms under electromagnetically induced transparency conditions involving high-lying Rydberg states. The observed optical transmission of a weak probe laser at the center of the coupling region exhibits a double peaked spectrum as a function of detuning, whilst the Rydberg atom number shows a comparatively narrow single resonance. By imaging the transmitted light onto a charge-coupled-device camera, we record hundreds of spectra in parallel, which are used to map out the spatial profile of Rabi frequencies of the coupling laser. Using all the information available we can reconstruct the full one-body density matrix of the three-level system, which provides the optical susceptibility and the Rydberg density as a function of spatial position. These results help elucidate the connection between three-level interference phenomena, including the interplay of matter and li...

  12. Energy corrugation in atomic-scale friction on graphite revisited by molecular dynamics simulations

    Institute of Scientific and Technical Information of China (English)

    Xiao-Yu Sun; Yi-Zhou Qi; Wengen Ouyang; Xi-Qiao Feng; Qunyang Li

    2016-01-01

    Although atomic stick–slip friction has been extensively studied since its first demonstration on graphite, the physical understanding of this dissipation-dominated phenomenon is still very limited. In this work, we perform molecular dynamics (MD) simulations to study the frictional behavior of a diamond tip sliding over a graphite surface. In contrast to the common wisdom, our MD results suggest that the energy barrier associated lateral sliding (known as energy corrugation) comes not only from interaction between the tip and the top layer of graphite but also from interactions among the deformed atomic layers of graphite. Due to the competi-tion of these two subentries, friction on graphite can be tuned by controlling the relative adhesion of different interfaces. For relatively low tip-graphite adhesion, friction behaves nor-mally and increases with increasing normal load. However, for relatively high tip-graphite adhesion, friction increases unusually with decreasing normal load leading to an effec-tively negative coefficient of friction, which is consistent with the recent experimental observations on chemically modified graphite. Our results provide a new insight into the physical origins of energy corrugation in atomic scale friction.

  13. The International Atomic Energy Agency's activities in radiation medicine and cancer: promoting global health through diplomacy.

    Science.gov (United States)

    Deatsch-Kratochvil, Amanda N; Pascual, Thomas Neil; Kesner, Adam; Rosenblatt, Eduardo; Chhem, Rethy K

    2013-02-01

    Global health has been an issue of seemingly low political importance in comparison with issues that have direct bearing on countries' national security. Recently, health has experienced a "political revolution" or a rise in political importance. Today, we face substantial global health challenges, from the spread of infectious disease, gaps in basic maternal and child health care, to the globalization of cancer. A recent estimate states that the "overall lifetime risk of developing cancer (both sexes) is expected to rise from more than one in three to one in two by 2015." These issues pose significant threats to international health security. To successfully combat these grave challenges, the international community must embrace and engage in global health diplomacy, defined by scholars Thomas Novotny and Vicanne Adams as a political activity aimed at improving global health, while at the same time maintaining and strengthening international relations. The IAEA (International Atomic Energy Agency) is an international organization with a unique mandate to "accelerate and enlarge the contribution of atomic energy to peace, health, and prosperity throughout the world." This article discusses global health diplomacy, reviews the IAEA's program activities in human health by focusing on radiation medicine and cancer, and the peaceful applications of atomic energy within the context of global health diplomacy.

  14. Energy corrugation in atomic-scale friction on graphite revisited by molecular dynamics simulations

    Science.gov (United States)

    Sun, Xiao-Yu; Qi, Yi-Zhou; Ouyang, Wengen; Feng, Xi-Qiao; Li, Qunyang

    2016-08-01

    Although atomic stick-slip friction has been extensively studied since its first demonstration on graphite, the physical understanding of this dissipation-dominated phenomenon is still very limited. In this work, we perform molecular dynamics (MD) simulations to study the frictional behavior of a diamond tip sliding over a graphite surface. In contrast to the common wisdom, our MD results suggest that the energy barrier associated lateral sliding (known as energy corrugation) comes not only from interaction between the tip and the top layer of graphite but also from interactions among the deformed atomic layers of graphite. Due to the competition of these two subentries, friction on graphite can be tuned by controlling the relative adhesion of different interfaces. For relatively low tip-graphite adhesion, friction behaves normally and increases with increasing normal load. However, for relatively high tip-graphite adhesion, friction increases unusually with decreasing normal load leading to an effectively negative coefficient of friction, which is consistent with the recent experimental observations on chemically modified graphite. Our results provide a new insight into the physical origins of energy corrugation in atomic scale friction.

  15. Atomically thick bismuth selenide freestanding single layers achieving enhanced thermoelectric energy harvesting.

    Science.gov (United States)

    Sun, Yongfu; Cheng, Hao; Gao, Shan; Liu, Qinghua; Sun, Zhihu; Xiao, Chong; Wu, Changzheng; Wei, Shiqiang; Xie, Yi

    2012-12-19

    Thermoelectric materials can realize significant energy savings by generating electricity from untapped waste heat. However, the coupling of the thermoelectric parameters unfortunately limits their efficiency and practical applications. Here, a single-layer-based (SLB) composite fabricated from atomically thick single layers was proposed to optimize the thermoelectric parameters fully. Freestanding five-atom-thick Bi(2)Se(3) single layers were first synthesized via a scalable interaction/exfoliation strategy. As revealed by X-ray absorption fine structure spectroscopy and first-principles calculations, surface distortion gives them excellent structural stability and a much increased density of states, resulting in a 2-fold higher electrical conductivity relative to the bulk material. Also, the surface disorder and numerous interfaces in the Bi(2)Se(3) SLB composite allow for effective phonon scattering and decreased thermal conductivity, while the 2D electron gas and energy filtering effect increase the Seebeck coefficient, resulting in an 8-fold higher figure of merit (ZT) relative to the bulk material. This work develops a facile strategy for synthesizing atomically thick single layers and demonstrates their superior ability to optimize the thermoelectric energy harvesting.

  16. Observation of CARS signal via maximal atomic coherence prepared by F-STIRAP in a three-level atomic system

    National Research Council Canada - National Science Library

    Xiao-Li Song; Lei Wang; Rui-Zhu Lin; Zhi-Hui Kang; Xin Li; Yun Jiang; Jin-Yue Gao

    2007-01-01

    ...) in a L-type configuration, and verify the theoretical predictions. Applying this technique, we are able to prepare the atoms with maximal coherence to enhance coherent anti-Stokes Raman scattering (CARS) signal...

  17. Atomic-level insights in optimizing reaction paths for hydroformylation reaction over Rh/CoO single-atom catalyst.

    Science.gov (United States)

    Wang, Liangbing; Zhang, Wenbo; Wang, Shenpeng; Gao, Zehua; Luo, Zhiheng; Wang, Xu; Zeng, Rui; Li, Aowen; Li, Hongliang; Wang, Menglin; Zheng, Xusheng; Zhu, Junfa; Zhang, Wenhua; Ma, Chao; Si, Rui; Zeng, Jie

    2016-12-22

    Rh-based heterogeneous catalysts generally have limited selectivity relative to their homogeneous counterparts in hydroformylation reactions despite of the convenience of catalyst separation in heterogeneous catalysis. Here, we develop CoO-supported Rh single-atom catalysts (Rh/CoO) with remarkable activity and selectivity towards propene hydroformylation. By increasing Rh mass loading, isolated Rh atoms switch to aggregated clusters of different atomicity. During the hydroformylation, Rh/CoO achieves the optimal selectivity of 94.4% for butyraldehyde and the highest turnover frequency number of 2,065 h(-1) among the obtained atomic-scale Rh-based catalysts. Mechanistic studies reveal that a structural reconstruction of Rh single atoms in Rh/CoO occurs during the catalytic process, facilitating the adsorption and activation of reactants. In kinetic view, linear products are determined as the dominating products by analysing reaction paths deriving from the two most stable co-adsorbed configurations. As a bridge of homogeneous and heterogeneous catalysis, single-atom catalysts can be potentially applied in other industrial reactions.

  18. Atomic-level insights in optimizing reaction paths for hydroformylation reaction over Rh/CoO single-atom catalyst

    Science.gov (United States)

    Wang, Liangbing; Zhang, Wenbo; Wang, Shenpeng; Gao, Zehua; Luo, Zhiheng; Wang, Xu; Zeng, Rui; Li, Aowen; Li, Hongliang; Wang, Menglin; Zheng, Xusheng; Zhu, Junfa; Zhang, Wenhua; Ma, Chao; Si, Rui; Zeng, Jie

    2016-12-01

    Rh-based heterogeneous catalysts generally have limited selectivity relative to their homogeneous counterparts in hydroformylation reactions despite of the convenience of catalyst separation in heterogeneous catalysis. Here, we develop CoO-supported Rh single-atom catalysts (Rh/CoO) with remarkable activity and selectivity towards propene hydroformylation. By increasing Rh mass loading, isolated Rh atoms switch to aggregated clusters of different atomicity. During the hydroformylation, Rh/CoO achieves the optimal selectivity of 94.4% for butyraldehyde and the highest turnover frequency number of 2,065 h-1 among the obtained atomic-scale Rh-based catalysts. Mechanistic studies reveal that a structural reconstruction of Rh single atoms in Rh/CoO occurs during the catalytic process, facilitating the adsorption and activation of reactants. In kinetic view, linear products are determined as the dominating products by analysing reaction paths deriving from the two most stable co-adsorbed configurations. As a bridge of homogeneous and heterogeneous catalysis, single-atom catalysts can be potentially applied in other industrial reactions.

  19. The Atoms for Peace USIS Films: Spreading the Gospel of the "Blessing" of Atomic Energy in the Early Cold War Era

    Directory of Open Access Journals (Sweden)

    Yuka Tsuchiya

    2014-08-01

    Full Text Available In 1955, the U.S. Information Service (USIS Tokyo produced a thirty-minute documentary film Blessing of Atomic Energy in commemoration of the tenth anniversary of the Atomic bombing of Hiroshima and Nagasaki. The film introduced how the Japanese government, researchers, and companies were using radioisotopes offered by the U.S. Argonne National Laboratory for the “peaceful” purposes in agriculture, medicine, hygiene, industry, and disaster prevention. The film also showed the mechanism of atomic power generation, and explained that it was already put into practice in the U.S. and Europe. The images of Japanese people enjoying the “blessing” of the “peaceful” use of atomic energy, ten years after the traumatic experience of A-bombs, were not only shown all over Japan, but also translated into different languages and shown in many countries, including the UK, Finland, Indonesia, Sudan, and Venezuela. The film was part of some fifty educational and documentary films produced for President Eisenhower’s “Atoms for Peace” campaign – a global information dissemination programs on the U.S. leadership in the civilian use of nuclear energy. This paper will explore the roles USIS films played in disseminating information on the “peaceful” use of nuclear energy in the early Cold War era.

  20. A stepwise atomic, valence-molecular, and full-molecular optimisation of the Hartree-Fock/Kohn-Sham energy.

    Science.gov (United States)

    Jansík, Branislav; Høst, Stinne; Johansson, Mikael P; Olsen, Jeppe; Jørgensen, Poul; Helgaker, Trygve

    2009-07-21

    A hierarchical optimisation strategy has been introduced for minimising the Hartree-Fock/Kohn-Sham energy, consisting of three levels (3L): an atom-in-a-molecule optimisation, a valence-basis molecular optimisation, and a full-basis molecular optimisation. The density matrix formed at one level is used as a starting density matrix at the next level with no loss of information. To ensure a fast and reliable convergence to a minimum, the augmented Roothaan-Hall (ARH) algorithm is used in both the valence-basis and full-basis molecular optimisations. The performance of the ARH-3L method is compared with standard optimisation algorithms. Both for efficiency and reliability, we recommend to use the ARH-3L algorithm.

  1. Energy levels of isoelectronic impurities by large scale LDA calculations

    CERN Document Server

    Li, J

    2002-01-01

    Isoelectronic impurity states are localized states induced by stoichiometric single atom substitution in bulk semiconductor. Photoluminescence spectra indicate deep impurity levels of 0.5 to 0.9eV above the top of valence band for systems like: GaN:As, GaN:P, CdS:Te, ZnS:Te. Previous calculations based on small supercells seemingly confirmed these experimental results. However, the current ab initio calculations based on thousand atom supercells indicate that the impurity levels of the above systems are actually much shallower(0.04 to 0.23 eV), and these impurity levels should be compared with photoluminescence excitation spectra, not photoluminescence spectra.

  2. Energy levels of isoelectronic impurities by large scale LDA calculations

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jingbo; Wang, Lin-Wang

    2002-11-22

    Isoelectronic impurity states are localized states induced by stoichiometric single atom substitution in bulk semiconductor. Photoluminescence spectra indicate deep impurity levels of 0.5 to 0.9eV above the top of valence band for systems like: GaN:As, GaN:P, CdS:Te, ZnS:Te. Previous calculations based on small supercells seemingly confirmed these experimental results. However, the current ab initio calculations based on thousand atom supercells indicate that the impurity levels of the above systems are actually much shallower(0.04 to 0.23 eV), and these impurity levels should be compared with photoluminescence excitation spectra, not photoluminescence spectra.

  3. Statistical properties for thevibrational energy levels of OCS

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A potential energy surface for the electronic ground state of carbonyl sulfide was optimized by using a self-consistent configuration-interaction method and involving the recently observed vibrational band origins up to 8000 cm?1. With the optimized potential, the vibrational energy levels of OCS up to 15000 cm?1 were computed using the discrete variable representation method and Lanczos algorithm. Approximately 480 vibrational energy levels were identified. The statistical investigation showed that the vibrational energy levels of OCS up to 15000 cm?1 are largely regular.

  4. Statistical Treatment of Low-Energy Nuclear Level Schemes

    Institute of Scientific and Technical Information of China (English)

    M.Gholami; M.Kildir; A.N.Behkami

    2007-01-01

    The level density parameter and the back shift energy E1 are determined for nuclei with A-values across the whole periodic table from fits to complete level schemes at low excitation energy near the neutron binding energies.We find that the energy back shift E1 shows complicated behavior and depends on the type of the nucleus,even-even,odd mass,and odd-odd.The spin cut-off factor has also been investigated for nuclei mentioned above.The results arecompared with the previous results and different experimental data on level densities.

  5. Stacking fault energy in FCC plutonium with multiple reference states in the modified embedded atom method

    Science.gov (United States)

    Valone, S. M.; Baskes, M. I.; Rudin, S. P.

    2012-03-01

    Basic concepts from the multi-reference state formalism for determining the functions for the modified embedded atom method (MEAM) are adopted to modeling elemental plutonium (Pu). In the case of elemental Pu, the focus is on the background electron density. Here we utilize a portion of the formalism that determines the structure of the background density necessary to capture correct phase ordering between fcc and ideal hcp crystal structures. The critical information comes from cold curves, that is the energy/volume relationships, for these phases. Practically speaking, the energy difference between these two phases determines the stacking fault energy of the material. At the same time, the simple monoclinic phase of elemental Pu also becomes higher in energy at the equilibrium volume of the fcc phase. The new model is based on first-principles electronic structure calculations and captures the basic phase ordering of those calculations.

  6. NEW KINDS OF DIRAC ENERGY LEVELS AND THEIR CROSSING REGIONS

    Institute of Scientific and Technical Information of China (English)

    杨树政; 林理彬

    2001-01-01

    In the space-time of a non-Kerr-Newman black hole, the Dirac energy levels and their crossing regions are inves-tigated. Near the event horizon of the black hole there are crossing Dirac energy levels, which lead to the occurrence of non-thermal radiation.

  7. Probing high energy levels of lanthanide ions - experiment and theory

    NARCIS (Netherlands)

    Peijzel, P.S.

    2004-01-01

    This thesis describes vacuum ultraviolet (VUV) spectroscopy of lanthanide ions. High-resolution emission and excitation spectra were recorded to investigate the VUV energy levels of lanthanide ions in fluoride and phosphate host lattices. A parameterized model for the calculation of the energy-level

  8. Geometric phase of an accelerated two-level atom in the presence of a perfectly reflecting plane boundary

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Hua [Department of Physics and Synergetic Innovation Center for Quantum Effects and Applications, Hunan Normal University, Changsha, Hunan 410081 (China); Zhang, Jialin, E-mail: jialinzhang@hunnu.edu.cn [Department of Physics and Synergetic Innovation Center for Quantum Effects and Applications, Hunan Normal University, Changsha, Hunan 410081 (China); Yu, Hongwei, E-mail: hwyu@hunnu.edu.cn [Department of Physics and Synergetic Innovation Center for Quantum Effects and Applications, Hunan Normal University, Changsha, Hunan 410081 (China); Center for Nonlinear Science and Department of Physics, Ningbo University, Ningbo 315211 (China)

    2016-08-15

    We study the geometric phase of a uniformly accelerated two-level atom coupled with vacuum fluctuations of electromagnetic fields in the presence of a perfectly reflecting plane. We find that the geometric phase difference between the accelerated and inertial atoms which can be observed by atom interferometry crucially depends on the polarizability of the atom and the distance to the boundary and it can be dramatically manipulated with anisotropically polarizable atoms. In particular, extremely close to the boundary, the phase difference can be increased by two times as compared to the case without any boundary. So, the detectability of the effects associated with acceleration using an atom interferometer can be significantly increased by the presence of a boundary using atoms with anisotropic polarizability.

  9. ELENA MCP detector: absolute efficiency measurement for low energy neutral atoms

    Science.gov (United States)

    Rispoli, R.; De Angelis, E.; Colasanti, L.; Vertolli, N.; Orsini, S.; Scheer, J.; Mura, A.; Milillo, A.; Wurz, P.; Selci, S.; Di Lellis, A. M.; Leoni, R.; D'Alessandro, M.; Mattioli, F.; Cibella, S.

    2012-04-01

    MicroChannel plates (MCP) detectors are frequently used in space instrumentation for detecting a wide range of radiation and particles. In particular, the capability to detect non-thermal low energy neutral species is crucial for the sensor ELENA (Emitted Low-Energy Neutral Atoms), part of the package SERENA (Search for Exospheric Refilling and Emitted Natural Abundances) on board the BepiColombo mission to Mercury to be launched in 2014. ELENA is a TOF sensor, based on a novel concept ultra-sonic oscillating shutter (Start section)which is operated at frequencies up to 50 kHz; a MCP detector is used as a Stop section. It is aimed to detect neutral atoms in the range 10 eV - 5 keV, within 70° FOV, perpendicular to the S/C orbital plane. ELENA will monitor the emission of neutral atoms from the whole surface of Mercury thanks to the spacecraft motion. The major scientific objectives are the interaction between the environment and the planet, the global particle loss-rate and the remote sensing of the surface properties. In particular, surface release processes are investigated by identifying particles release from the surface, via solar wind-induced ion sputtering (100 eV) as well as Hydrogen back-scattered at hundreds eV. MCP absolute detection efficiency for very low energy neutral atoms (EMEFISTO facility of the Physical Institute of University of Bern (CH), measurements on three different type of MCPs coating have been performed providing the behaviors of MCP detection efficiency in the range 10eV-1keV. Outcomes from such measurements are here discussed.

  10. Electrode surface engineering by atomic layer deposition: A promising pathway toward better energy storage

    KAUST Repository

    Ahmed, Bilal

    2016-04-29

    Research on electrochemical energy storage devices including Li ion batteries (LIBs), Na ion batteries (NIBs) and supercapacitors (SCs) has accelerated in recent years, in part because developments in nanomaterials are making it possible to achieve high capacities and energy and power densities. These developments can extend battery life in portable devices, and open new markets such as electric vehicles and large-scale grid energy storage. It is well known that surface reactions largely determine the performance and stability of electrochemical energy storage devices. Despite showing impressive capacities and high energy and power densities, many of the new nanostructured electrode materials suffer from limited lifetime due to severe electrode interaction with electrolytes or due to large volume changes. Hence control of the surface of the electrode material is essential for both increasing capacity and improving cyclic stability of the energy storage devices.Atomic layer deposition (ALD) which has become a pervasive synthesis method in the microelectronics industry, has recently emerged as a promising process for electrochemical energy storage. ALD boasts excellent conformality, atomic scale thickness control, and uniformity over large areas. Since ALD is based on self-limiting surface reactions, complex shapes and nanostructures can be coated with excellent uniformity, and most processes can be done below 200. °C. In this article, we review recent studies on the use of ALD coatings to improve the performance of electrochemical energy storage devices, with particular emphasis on the studies that have provided mechanistic insight into the role of ALD in improving device performance. © 2016 Elsevier Ltd.

  11. Structural decomposition analysis on energy intensity changes at regional level

    OpenAIRE

    Hua Liao; Ce Wang; Zhi-Shuang Zhu; Xiao-Wei Ma

    2012-01-01

    As China's energy intensity fluctuated in recent years, it is necessary to examine whether this fluctuations happened at a regional level. This paper conducts a decomposition model by using the structural decomposition analysis (SDA) method at a regional level. Then this model is employed to empirically analyze the changes of Beijing's energy intensity. The conclusions are as follows: during 2002-2010, except petroleum, the energy intensity decreased and the changes were mostly attributed to ...

  12. Coherent population trapping resonances at lower atomic levels of Doppler broadened optical lines

    Energy Technology Data Exchange (ETDEWEB)

    Şahin, E; Hamid, R; Çelik, M [National Metrology Institute of Turkey, Gebze, Kocaeli (Turkey); Özen, G [Istanbul Technical University, Faculty of Science and Letters, Engineering Physics Department Maslak, Istanbul (Turkey); Izmailov, A Ch [Institute of Physics, Azerbaijan National Academy of Sciences, H. Javid av. 33, Baku, Az-1143 (Azerbaijan)

    2014-11-30

    We have detected and analysed narrow high-contrast coherent population trapping (CPT) resonances, which are induced in absorption of a weak monochromatic probe light beam by counterpropagating two-frequency pump radiation in a cell with rarefied caesium vapour. The experimental investigations have been performed by the example of nonclosed three level Λ-systems formed by spectral components of the D{sub 2} line of caesium atoms. The applied method allows one to analyse features of the CPT phenomenon directly at a given low long-lived level of the selected Λ-system even in sufficiently complicated spectra of atomic gases with large Doppler broadening. We have established that CPT resonances in transmission of the probe beam exhibit not only a higher contrast but also a much lesser width in comparison with well- known CPT resonances in transmission of the corresponding two-frequency pump radiation. The results obtained can be used in selective photophysics, photochemistry and ultra-high resolution atomic (molecular) spectroscopy. (laser applications and other topics in quantum electronics)

  13. Sleep, brain energy levels, and food intake

    Science.gov (United States)

    Dworak, M.; Kim, T.; McCarley, R.W.; Basheer, R.

    2013-01-01

    Background The feeling of hunger and feeding, a wake–state-dependent behavior, is regulated by specific centers within the hypothalamus. While paraventricular nucleus (PVN), arcuate nucleus (ARC), and dorso- and ventromedial hypothalamus (DMH/VMH) regulate feeding, the lateral hypothalamus (LH) is associated both with feeding and wake/REM sleep regulation. In order to examine the effects of sleep and wakefulness on food intake and body weight, we also measured hypothalamic ATP concentrations, which are known to be involved in feeding behavior and sleep–wake regulation. Methods In rats, food intake and body weight was measured during a 24-h light–dark cycle and during 6 h of sleep deprivation (SD) performed by gentle handling. Tissue samples from the PVN, ARC/DMH/VMH, and LH were collected after 6 h of SD and from time-matched diurnal controls. ATP was measured by luciferin-luciferase bioluminescence assay. Results Across the 24-h light–dark period, rats consumed approximately 28.13±4.48 g of food and gained 5.22±1.65 g with a positive correlation between food intake and body weight. During SD, while food intake increased significantly +147.31±6.13%, they lost weight significantly (–93.29±13.64%) when compared to undisturbed controls. SD resulted in a significant decrease in ATP levels only in LH (–44.60±21.13%) with no change in PVN, ARC/DMH/VMH region when compared with undisturbed controls. Conclusion The results indicate a strong overall correlation between ATP concentrations in the LH and individual food intake and suggest a sleep–wake dependent neuronal control of food intake and body weight. PMID:23585726

  14. Photon absorption and emission statistics of a two-level atom in a cavity

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chang J. [Sun Moon University, Asan (Korea, Republic of)

    2012-03-15

    The absorption and the emission of photons by an atom involves quantum jumps between states. We investigate the quantum jump statistics for the system of a two-level atom and a single-mode cavity field. We use the Jaynes-Cummings model for this problem, perform Monte Carlo numerical simulations, and give a detailed exact analysis on these simulations. These studies reveal that the waiting-time distribution (WTD) for photon absorptions (emissions) has a unique novel statistic, and that the photon absorption (emission) rate is not uniform, but counter-intuitively depends on the position in the Rabi cycle. The effects of the nonclassical nature of the field on the WTD is discussed.

  15. Berry phases in the three-level atoms driven by quantized light fields

    Indian Academy of Sciences (India)

    Mai-Lin Liang; Zong-Cheng Xu; Bing Yuan

    2008-03-01

    A theoretical analysis of Berry's phases is given for the three-level atoms interacting with external one-mode and two-mode quantized light fields. Three main results are obtained: (i) There is a Berry phase which vanishes in the classical limit or this Berry phase is completely induced by the field quantization; (ii) Berry's phases for the one-mode field and the two-mode field can be equal so long as the photon numbers of the two-mode field are properly chosen; (iii) In the two-mode case, Berry phases of the atom interacting with one mode is affected by the other mode even if the photon number of the other mode is zero.

  16. Negative and positive hysteresis in double-cavity optical bistability in three-level atom

    CERN Document Server

    Babu, H Aswath

    2010-01-01

    We present novel hysteretic behaviour of a three-level ladder atomic system exhibiting double-cavity optical bistability in the mean-field limit. The two fields coupling the atomic system experience feedback via two independent, unidirectional, single mode ring cavities and exhibit cooperative phenomena, simultaneously. The system displays a range of rich dynamical features varying from normal switching to self pulsing and a period-doubling route to chaos for both the fields. We focus our attention to a new hump like feature in the bistable curve arising purely due to cavity induced inversion, which eventually leads to negative hysteresis in the bistable response. This is probably the only all-optical bistable system that exhibits positive as well as negative bistable hysteresis in different input field intensity regimes. For both the fields, the switching times, the associated critical slowing down, the self-pulsing characteristics, and the chaotic behaviour can be controlled to a fair degree, moreover, all ...

  17. Energy levels, radiative rates and electron impact excitation rates for transitions in C III

    CERN Document Server

    Aggarwal, K M

    2015-01-01

    We report energy levels, radiative rates (A-values) and lifetimes for the astrophysically-important Be-like ion C III. For the calculations, 166 levels belonging to the $n \\le$ 5 configurations are considered and the {\\sc grasp} (General-purpose Relativistic Atomic Structure Package) is adopted. Einstein A-coefficients are provided for all E1, E2, M1 and M2 transitions, while lifetimes are compared with available measurements as well as theoretical results, and no large discrepancies noted. Our energy levels are assessed to be accurate to better than 1\\% for a majority of levels, and A-values to better than 20\\% for most transitions. Collision strengths are also calculated, for which the Dirac Atomic R-matrix Code ({\\sc darc}) is used. A wide energy range, up to 21 Ryd, is considered and resonances resolved in a fine energy mesh in the thresholds region. The collision strengths are subsequently averaged over a Maxwellian velocity distribution to determine effective collision strengths up to a temperature of 8...

  18. Low energy neutral atom imaging on the Moon with the SARA instrument aboard Chandrayaan-1 mission

    Indian Academy of Sciences (India)

    Anil Bhardwaj; Stas Barabash; Yoshifumi Futaana; Yoichi Kazama; Kazushi Asamura; David McCann; R Sridharan; Mats Holmstrom; Peter Wurz; Rickard Lundin

    2005-12-01

    This paper reports on the Sub-keV Atom Reflecting Analyzer (SARA)experiment that will be flown on the first Indian lunar mission Chandrayaan-1.The SARA is a low energy neutral atom (LENA)imaging mass spectrometer,which will perform remote sensing of the lunar surface via detection of neutral atoms in the energy range from 10 eV to 3 keV from a 100 km polar orbit.In this report we present the basic design of the SARA experiment and discuss various scientific issues that will be addressed.The SARA instrument consists of three major subsystems:a LENA sensor (CENA),a solar wind monitor (SWIM),and a digital processing unit (DPU).SARA will be used to image the solar wind –surface interaction to study primarily the surface composition and surface magnetic anomalies and associated mini-magnetospheres.Studies of lunar exosphere sources and space weathering on the Moon will also be attempted.SARA is the first LENA imaging mass spectrometer of its kind to be flown on a space mission.A replica of SARA is planned to fly to Mercury onboard the BepiColombo mission.

  19. Annual Report to Congress of the Atomic Energy Commission for 1965

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.

    1966-01-31

    The document represents the 1965 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report opens with a Foreword - a letter from President Lyndon B. Johnson. The main portion is divided into 3 major sections for 1965, plus 10 appendices and the index. Section names and chapters are as follows. Part One reports on Developmental and Promotional Activities with the following chapters: (1) The Atomic Energy Program - 1965; (2) The Industrial Base ; (3) Industrial Relations; (4) Operational Safety; (5) Source and Special Nuclear Materials Production; (6) The Nuclear Defense Effort; (7) Civilian Nuclear Power; (8) Nuclear Space Applications; (9) Auxiliary Electrical Power for Land and Sea; (10) Military Reactors; (11) Advanced Reactor Technology and Nuclear Safety Research; (12) The Plowshare Program; (13) Isotopes and Radiation Development; (14) Facilities and Projects for Basic Research; (15) International Cooperation; and, (16) Nuclear Education and Information. Part Two reports on Regulatory Activities with the following chapters: (1) Licensing and Regulating the Atom; (2) Reactors and other Nuclear Facilities; and, (3) Control of Radioactive Materials. Part Three reports on Adjudicatory Activities.

  20. Correlation energies beyond the random-phase approximation: ISTLS applied to spherical atoms and ions

    CERN Document Server

    Gould, Tim

    2012-01-01

    The inhomogeneous Singwi, Tosi, Land and Sjolander (ISTLS) correlation energy functional of Dobson, Wang and Gould [PRB {\\bf 66} 081108(R) (2008)] has proved to be excellent at predicting correlation energies in semi-homogeneous systems, showing promise as a robust `next step' fifth-rung functional by using dynamic correlation to go beyond the limitations of the direct random-phase approximation (dRPA), but with similar numerical scaling with system size. In this work we test the functional on fourteen spherically symmetric, neutral and charged atomic systems and find it gives excellent results (within 2mHa/$e^-$ except Be) for the absolute correlation energies of the neutral atoms tested, and good results for the ions (within 4mHa/$e^-$). In all cases it performs better than the dRPA. When combined with the previous successes, these new results point to the ISTLS functional being a prime contender for high-accuracy, benchmark DFT correlation energy calculations.