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Sample records for atomic energy act

  1. 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.

  2. 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.

  3. 10 CFR 8.2 - Interpretation of Price-Anderson Act, section 170 of the Atomic Energy Act of 1954.

    Science.gov (United States)

    2010-01-01

    ... upon the legislative history, stated that the problem of a reactor accident in the United States... Atomic Energy Act of 1954. 8.2 Section 8.2 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.2... caused outside the United States by a nuclear incident occurring within the United States. (b)...

  4. 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.

  5. 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.

  6. Third-party protection and residual risk in Atomic Energy Act. On legally dogmatic classification of paragraph 7 Atomic Energy Act in the jurisprudence of the Federal Constitutional Law and Federal Administrative Court; Drittschutz und Restrisiko im Atomrecht. Zur rechtsdogmatischen Einordnung des paragraph 7d AtG in die Rechtsprechung des Bundesverfassungs- und des Bundesverwaltungsgerichts

    Energy Technology Data Exchange (ETDEWEB)

    Arndt, Hans-Wolfgang

    2012-03-15

    On 25th June 2009, the Council of the European Union has passed the directive 2009/71/EURATOM on a common framework for nuclear safety of nuclear installations. At first, the 12th Law amending the Atomic Energy Act supplements the Atomic Energy Act by regulations which implement the directive 2009/71/EURATIM into national law. In addition, paragraph 7 Atomic Energy Act introduces a new substantive obligation of the operators of nuclear power plants. The author of the contribution reports on whether paragraph 7 Atomic Energy Act provides additional nuclear protection or reduces the potential protection by law and jurisprudence.

  7. Residual risks of the 13{sup th} amendment to the German Atomic Energy Act; Restrisiken der 13. Atomgesetzaenderung

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, Horst

    2011-08-15

    The 13th amendment to the German Atomic Energy Act, which was adopted by the German federal parliament on June 30 and entered into force on August 6, 2011, must be judged in the light of its genesis. Federal Chancellor Merkel, in her government declaration of June 9, 2011, had mentioned topics such as residual risk, safety standards, and risk assumptions, on which the federal government, in the week after the event of March 11, 2011, had commissioned the Advisory Committee on Reactor Safeguards (RSK) to conduct a comprehensive safety review of all German nuclear power plants, and appointed an Ethics Committee to write an opinion on safe energy supply. On the basis of quickly drafted reports, the federal cabinet, without any international harmonization (EU, IEA), adopted a draft opt out law on June 6, 2011. How should the declarations by the Federal Chancellor on June 9, 2011 be classified in terms of atomic energy law? In her words, it all revolved around the residual risk. The debate, which has been shifted to the realm of constitutional law, is open to considerations and steps to attack the new opt out law on grounds of material unconstitutionality (violation of the property guarantee under Sec. 14 or the principle of equality under Art.3 of the Basic Law). As far as final storage is concerned, the amendment to the German Atomic Energy Act announced still for this year, also for transposition of the EURATOM Directive of July 19, 2011 about nuclear waste management, the ''re-assessment of the residual risk'' is not likely to play a role. All these events are reminiscent of a sentence by former Federal Chancellor Schmidt: ''The history of the NATO dual-track decision remains a textbook case showing that even in a democracy emotions using ethical arguments, mixed with demagogy, can become strong enough to cast aside balanced reason.'' There is also a distinction by Max Weber between ''ethics of ideology

  8. Energy Policy Act

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Energy Policy Act (EPA) addresses energy production in the United States, including: (1) energy efficiency; (2) renewable energy; (3) oil and gas; (4) coal; (5)...

  9. 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…

  10. 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.

  11. 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...

  12. National Energy Act statutes and solar energy

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J.

    1980-02-01

    The National Energy Act of 1978 contains many provisions that will significantly affect solar technology commercialization and solar energy users. Four of the five statutes that comprise the National Energy Act deserve close attention. The National Energy Conservation Policy Act will promote residential solar installations. The Energy Tax Act will accelerate both residential and commercial solar system applications. The Public Utilities Regulatory Policies Act promotes efficient use of utility resources as well as decentralized power production. And, the Power Plan and Industrial Fuel Use Act places severe restrictions on future burning of petroleum and natural gas, which should lead some operators to build or convert to solar energy systems. Each of the preceding acts are considered in separate sections of this report. Federal regulations issued pursuant to the various provisions are also identified and discussed, and some of the problems with the provisions and regulations are noted.

  13. 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...

  14. 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...

  15. 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)

  16. 10 CFR Appendix A to Subpart A of... - Selected Provisions of the Atomic Energy Act of 1954, as Amended, Sec. 141 (42 U.S.C. 2161), Sec...

    Science.gov (United States)

    2010-01-01

    ... Amended, Sec. 141 (42 U.S.C. 2161), Sec. 145 (42 U.S.C. 2165), Sec. 161 (42 U.S.C. 2201) A Appendix A to Subpart A of Part 710 Energy DEPARTMENT OF ENERGY CRITERIA AND PROCEDURES FOR DETERMINING ELIGIBILITY FOR... Eligibility for Access to Classified Matter or Special Nuclear Material Pt. 710, Subpt. A, App. A Appendix...

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. The mean excitation energy of atomic ions

    DEFF Research Database (Denmark)

    Sauer, Stephan P. A.; Oddershede, Jens; Sabin, John R.

    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...

  4. 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)…

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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).

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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).

  18. 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.

  19. 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.

  20. 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.

  1. 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)

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Runtime extension and nuclear safety. On the legal and technological context of the 11th and 12th amendment of the Atomic Energy Act; Laufzeitverlaengerung und nukleare Sicherheit. Zum rechtlichen und technischen Zusammenhang von 11. und 12. AtG Novelle

    Energy Technology Data Exchange (ETDEWEB)

    Renneberg, Wolfgang [Renneberg Consult UG, Alfter (Germany)

    2011-04-15

    The 11th and 12 Amendment of the Atomic Energy Act with which on the one hand the runtime is extended and on the other hand the safety requirements have been renormalized, formally are independent legislative projects. Concerning to the contents, the 12th Amendment appears as an essential element for securing the extension of operation periods. At the same time it constitutes censorship in the safety assessment of nuclear power plants which is equivalent to a modification in the existing security philosophy. The relationships allowing this interpretation go beyond purely legal issues. Therefore the contribution under consideration reports on the legal, safety related and safety political genesis of the actual legal situation following the contributions of Rossnagel/Hentschel and Ziehm.

  8. Department of Energy Recovery Act Investment in Biomass Technologies

    Energy Technology Data Exchange (ETDEWEB)

    None

    2010-11-01

    The American Recovery and Reinvestment Act of 2009 (Recovery Act) provided more than $36 billion to the Department of Energy (DOE) to accelerate work on existing projects, undertake new and transformative research, and deploy clean energy technologies across the nation. Of this funding, $1029 million is supporting innovative work to advance biomass research, development, demonstration, and deployment.

  9. 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

  10. 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.

  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. P.L. 96-294, "Energy Security Act" (1980)

    Energy Technology Data Exchange (ETDEWEB)

    None

    2011-12-13

    Declares it to be the purpose of this title to reduce dependence on foreign energy resources by producing synthetic fuel. Part A: Development of Synthetic Fuel Under the Defense Production Act of 1950 - Defense Production Act Amendments of 1980 - Amends the Defense Production Act of 1950 to include within the policy objectives of such Act Government preparedness to contend with foreign actions which could reduce or terminate the availability of material, including energy, which is crucial to national defense. States that greater independence in domestic energy supplies is necessary to national defense preparedness. Designates "energy" as a "strategic and critical material." States that such designation shall not give the President any authority: (1) for the mandatory allocation or pricing of any fuel or feedstock; or (2) to engage in the production of energy in any manner whatsoever, except for synthetic fuel production.

  14. 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.

  15. 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.

  16. 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.).

  17. 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.

  18. 3 CFR - The Energy Independence and Security Act of 2007

    Science.gov (United States)

    2010-01-01

    ... 3 The President 1 2010-01-01 2010-01-01 false The Energy Independence and Security Act of 2007 Presidential Documents Other Presidential Documents Memorandum of January 26, 2009 The Energy Independence and... Highway Traffic Safety Administration In 2007, the Congress passed the Energy Independence and...

  19. 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...

  20. Energy Policy Act of 2005 and Underground Storage Tanks (USTs)

    Science.gov (United States)

    The Energy Policy Act of 2005 significantly affected federal and state underground storage tank programs, required major changes to the programs, and is aimed at reducing underground storage tank releases to our environment.

  1. 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.

  2. 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.

  3. P.L. 102-486, "Energy Policy Act" (1992)

    Energy Technology Data Exchange (ETDEWEB)

    None

    2011-12-13

    Amends the Energy Conservation and Production Act to set a deadline by which each State must certify to the Secretary of Energy whether its energy efficiency standards with respect to residential and commercial building codes meet or exceed those of the Council of American Building Officials (CABO) Model Energy Code, 1992, and of the American Society of Heating, Refrigerating, and Air-Conditioning Engineers, respectively.

  4. 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)

  5. 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.

  6. Distribution effects of the renewable energies act; Verteilungswirkungen des EEG

    Energy Technology Data Exchange (ETDEWEB)

    Bardt, Hubertus; Niehues, Judith [Institut der deutschen Wirtschaft Koeln, Koeln (Germany)

    2013-09-15

    The Renewal Energies Act has so far been one of the cornerstones of the energy revolution. As a result of the Act the production of electricity from renewable sources has been considerably increased. As the most expensive forms of renewable energies have grown fastest, average costs have not shrunk but have risen significantly. The ongoing growth led to increasing subsidies for renewable energies and growing costs for electricity consumers in business and private households. It would be insufficient to look at absolute cost developments only, as distribution effects may be critical. As electricity consumption only slightly depends on household income, higher income leads to lower significance of electricity costs. Therefore, low income households bear a relatively higher burden of costs for renewable energies. Furthermore, wealthy households could benefit from the subsidies as they can invest in renewable energy systems.

  7. 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,…

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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%.

  13. 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.

  14. 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.

  15. 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.

  16. 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).

  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. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.}

  6. 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.

  7. 48 CFR 926.7005 - Preferences under the Energy Policy Act.

    Science.gov (United States)

    2010-10-01

    ... Energy Policy Act. 926.7005 Section 926.7005 Federal Acquisition Regulations System DEPARTMENT OF ENERGY SOCIOECONOMIC PROGRAMS OTHER SOCIOECONOMIC PROGRAMS Implementation of Section 3021 of the Energy Policy Act of 1992 926.7005 Preferences under the Energy Policy Act. (a) Prime contracts. Solicitations for...

  8. 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.

  9. 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.

  10. Highlights from U.S. Department of Energy's Fuel Cell Recovery Act Projects

    Energy Technology Data Exchange (ETDEWEB)

    Fuel Cell Technologies Office

    2012-05-01

    This fact sheets highlights U.S. Department of Energy fuel cell projects funded by the American Recovery and Reinvestment Act of 2009 (Recovery Act). More than 1,000 fuel cell systems have been deployed through Recovery Act funding.

  11. Preliminary assessment of fleets covered by the Energy Policy Act

    Energy Technology Data Exchange (ETDEWEB)

    Hu, P.S.; Davis, S.C.; Wang, M.Q. [and others

    1994-12-31

    To facilitate the goal of decreasing oil imports by 10 percent by the year 2000 and 30 percent by 2010, two sections of the Energy Policy Act encourage and mandate alternative fuel vehicles in the acquisition of fleet vehicles. The first step in estimating the contribution of these mandates toward meeting the aforementioned goal entails identifying affected fleets. This paper presents a preliminary assessment of potential vehicle fleet coverage. Only a limited number of companies in the methanol, ethanol, and hydrogen industries are likely to quality for this mandate. Whereas, many of the oil producers, petroleum refiners, and electricity companies are likely to be regulated.

  12. 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.

  13. 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…

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. Improving energy use in Canada: Report to Parliament under the Energy Efficiency Act, 1996-1997

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-31

    Progress in energy efficiency and alternative energy (EAE) initiatives during the 1996-1997 fiscal year are reported in this fifth annual report to Parliament under the Energy Efficiency Act. These initiatives are considered critical to the National Action Program on Climate Change, which sets out Canada`s strategic objectives and directions to limit the emission of greenhouse gases. These initiatives are designed to reduce carbon dioxide emissions by various means, including replacing carbon-intensive energy sources with energy generated from sources that produce fewer, or no carbon dioxide emissions, such as wind power or small hydro power. Four policy instruments are used to pursue these objectives: regulation; information; voluntary action; and science and technology. This report contains details of achievements under each of these policy instruments, reviews the policy context of energy efficiency and alternative energy programs, describes the Act and relevant Regulations, and the connection between energy use and greenhouse gas emissions. Each energy use sector is reviewed individually, with descriptions of initiatives, progress indicators and achievements. Renewable and district energy, and inter-governmental cooperation in EAE activities are also discussed, Wherever possible, quantifiable indicators have been used. 8 tabs., 45 figs.

  20. 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.

  1. 75 FR 45608 - Energy Employees Occupational Illness Compensation Program Act of 2000; Corrected Revision to...

    Science.gov (United States)

    2010-08-03

    ... amended (``EEOICPA'' or ``Act''). On June 30, 2010, DOE published a notice (75 FR 37781) that amended the... now replaces the previous lists by removing two facilities designated as atomic weapons employer (AWE... production of an atomic weapon, excluding uranium mining and milling; and (B) is designated by the...

  2. New atomic energy law - international and national developments. Proceedings; Neues Atomenergierecht - internationale und nationale Entwicklungen. Tagungsbericht

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-12-31

    Two of the working sessions of the meeting were devoted to aspects of international atomic energy law; the international character of the meeting was also reflected by the home countries of the members of the panel discussion concluding the working sessions. There was substantial reason to put emphasis on the international dimension of the topics discussed. In June 1994, the Nuclear Safety Convention had been signed in Vienna by diplomatic representatives of the signatory countries, and this Convention marks a signpost in the history of international atomic energy law. At the time the meeting was held, negotiations for improving the international nuclear lability law, which had been dragging on since 1989, had come to a stalemate. The meeting offered a suitable forum for taking a scientific approach to tackle the complex problems involved in reshaping the law on nuclear safety and nuclear liability. The third working session of the meeting has been discussing topics relating to the implementation of the German Atomgesetz (Atomic Energy Act). (orig./HP) [Deutsch] Zwei der Arbeitssitzungen waren Fragen des internationalen Atomenergierechts gewidmet; auch die Zusammensetzung der Teilnehmer des abschliessenden Rundtischgespraechs wiesen die internationalen Aspekte als den Schwerpunkt der Veranstaltung aus. Fuer diese Gewichtung bestand begruendeter Anlass. Im Juni 1994 hatte eine diplomatische Konferenz in Wien die sogenannte Nukleare Sicherheitskonvention verabschiedet, die einen Meilenstein in der Entwicklung des internationalen Atomrechts darstellt. Die bereits seit 1989 andauernden Verhandlungen zur Verbesserung des internationalen Atomhaftungsrechts fanden sich zur Zeit der Tagung in einer krisenhaften Situation. Dies bot Anlass zur wissenschaftlichen Aufarbeitung der Komplexe nukleare Sicherheit und Atomhaftungsrecht. In einer dritten Arbeitssitzung wurden aktuelle Themen aus dem Bereich des Vollzugs des Atomgesetzes eroertert. (orig./HP)

  3. Atomic-powered democracy: Policy against politics in the quest for American nuclear energy

    Energy Technology Data Exchange (ETDEWEB)

    Williams, R.W.

    1993-01-01

    This dissertation focuses on the relationship of American nuclear energy to democracy. It examines whether the nuclear policy processes have furthered the legitimacy-government accountability and citizen participation-which the democratic institutes are based. Nuclear policy and its institutions have placed severe limitations on democratic practices. Contravened democracy is seen most clearly in the decoupling of policy from politics. Decoupling refers to the weakening of institutional linkages between citizens and government, and to the erosion of the norms that ground liberal democracy. Decoupling is manifested in policy centralization, procedural biases, technical rationality, and the spatial displacement of conflict. Decoupling has normative implications: While federal accountability was limited and citizen participation was shackled, other major groups enjoyed privileged access to policy making. The decoupling of nuclear policy from politics arose within the context of US liberal-democratic capitalism. The federal government pursued its own goals of defense and world leadership. Yet, it was not structurally autonomous from the hegemony of the political-economic context. Economically, the Atomic Energy Act did not permit federal agencies to directly invest in power plant construction, and did not authorize them to commercially generate electricity. Private industry was structurally placed to domesticate the atom. Politically, the liberal-democratic system hampered an unquestioning pursuit of atomic energy. Federal institutions have been forced to heed some of the anti-nuclear concerns. The pervasive influence of the US political economy on nuclear policy has come to transgress democracy. Nuclear power's growth faltered during the 1970s. The political and economic constraints on federal actions have limited the means available to revive a becalmed nuclear industry; this has exerted strong pressure on federal institutions to decouple policy from

  4. 48 CFR 926.7004 - Size standard for Energy Policy Act procurements.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Size standard for Energy... ENERGY SOCIOECONOMIC PROGRAMS OTHER SOCIOECONOMIC PROGRAMS Implementation of Section 3021 of the Energy Policy Act of 1992 926.7004 Size standard for Energy Policy Act procurements. The size standard...

  5. 75 FR 39273 - Energy Independence and Security Act (Pub. L. 110-140)

    Science.gov (United States)

    2010-07-08

    ....S. Geological Survey Energy Independence and Security Act (Pub. L. 110-140) AGENCY: U.S. Geological.... SUMMARY: In 2007, the Energy Independence and Security Act (Pub. L. 110-140) directed the United States... 711 of Public Law 110-140. Dated: June 28, 2010. Brenda Pierce, Chief Scientist (acting) and...

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 48 CFR 952.226-73 - Energy Policy Act target group certification.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Energy Policy Act target... ENERGY CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES Text of Provisions and Clauses 952.226-73 Energy Policy Act target group certification. As prescribed in 926.7007(d), insert...

  14. DOD Purchase of Renewable Energy Credits Under the National Defense Authorization Act of 2012

    Science.gov (United States)

    2012-11-27

    The Energy Policy Act (EPAct) of 2005 established renewable energy goals for federal government agencies. The National Defense Authorization Act for...Fiscal Year 2012 directs the Secretary of Defense to establish a policy to maximize savings for the bulk purchase of replacement renewable energy certificates...in connection with the development of facility energy projects using renewable energy sources. This requires that each service purchase

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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...

  2. 29 CFR Appendix A to Part 24 - Your Rights Under the Energy Reorganization Act

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Your Rights Under the Energy Reorganization Act A Appendix A to Part 24 Labor Office of the Secretary of Labor PROCEDURES FOR THE HANDLING OF RETALIATION... the Energy Reorganization Act ER10AU07.000...

  3. 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)

  4. 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.

  5. 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.

  6. 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…

  7. 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.

  8. 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.

  9. 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

  10. Electricity's "Disappearing Act": Understanding Energy Consumption and Phantom Loads

    Science.gov (United States)

    Rusk, Bryan; Mahfouz, Tarek; Jones, James

    2011-01-01

    Energy exists in many forms and can be converted from one form to another. However, this conversion is not 100% efficient, and energy is lost in the form of heat during conversion. In addition, approximately 6% of the monthly consumption of the average American household's electricity is neither lost nor used by its residents. These losses are…

  11. Recovery Act. Development of a Model Energy Conservation Training Program

    Energy Technology Data Exchange (ETDEWEB)

    none,

    2012-07-05

    The overall objective of this project was to develop an updated model Energy Conservation training program for stationary engineers. This revision to the IUOE National Training Fund’s existing Energy Conservation training curriculum is designed to enable stationary engineers to incorporate essential energy management into routine building operation and maintenance tasks. The curriculum uses a blended learning approach that includes classroom, hands-on, computer simulation and web-based training in addition to a portfolio requirement for a workplace-based learning application. The Energy Conservation training program goal is development of a workforce that can maintain new and existing commercial buildings at optimum energy performance levels. The grant start date was July 6, 2010 and the project continued through September 30, 2012, including a three month non-funded extension.

  12. 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.

  13. Endangered Species Act and energy facility planning: compliance and conflict

    Energy Technology Data Exchange (ETDEWEB)

    Shreeve, D; Calef, C; Nagy, J

    1978-05-01

    New energy facilities such as coal mines, gasification plants, refineries, and power plants--because of their severe environmental impacts--may, if sited haphazardly, jeopardize endangered species. By law, conflicts between energy-facility siting and endangered species occurrence must be minimized. To assess the likelihood of such conflicts arising, the authors used data from the Fish and Wildlife Service, Endangered Species Office, that describe the species' ranges by county. This data set was matched with county-level occurrences of imminent energy developments to find counties of overlap and hence potential conflict. An index was developed to measure the likelihood of actual conflict occurring in such counties. Factors determining the index are: numbers of endangered species inhabiting the county, number of energy-related developments, and to what degree the county remains in a wild or undeveloped state. Maps were prepared showing (1) geographic ranges of endangered species by taxonomic groups (mammals, fish, etc.) and (2) counties of conflict.

  14. "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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. P.L. 110-140, "Energy Independence and Security Act of 2007", 2007

    Energy Technology Data Exchange (ETDEWEB)

    None

    2007-12-19

    The Energy Independence and Security Act of 2007 (EISA), signed into law on December 19, 2007, set forth an agenda for improving U.S. energy security across the entire economy. While industrial energy efficiency is specifically called out in Title IV, Subtitle D, other EISA provisions also apply to AMO activities.

  20. Handbook of technology law. General funamentals, environment law, genetic engineering act, energy act, telecommunication act and media act, patent act, computer act. 2. ed.; Handbuch des Technikrechts. Allgemeine Grundlagen Umweltrecht, Gentechnikrecht, Energierecht, Telekommunikations- und Medienrecht, Patentrecht, Computerrecht

    Energy Technology Data Exchange (ETDEWEB)

    Schulte, Martin; Schroeder, Rainer (eds.) [Technische Univ. Dresden (Germany). Juristische Fakultaet

    2011-07-01

    On the boundaries between technology sciences, jurisprudence, social sciences and economic science the technology law proves as a cross-sectional area par excellence. The bases of the technology law are presented: individual, particularly important scopes of the technology law (appliance safety regulations, technology law and environment law, genetic engineering act, energy right, telecommunications law and media law, patent law, computer law, data security, legally binding telecooperation) are analyzed in detail. The manual contacts all lawyers who want to provide a first in-depth insight of this new field of law. [German] Im Grenzbereich von Technik-, Rechts-, Sozial- und Wirtschaftswissenschaften erweist sich das Technikrecht als Querschnittsmaterie par excellence. Die Grundlagen des Technikrechts werden dargestellt; einzelne, besonders wichtige Bereiche des Technikrechts (Geraetesicherheitsrecht, Technik und Umweltrecht, Gentechnikrecht, Energierecht, Telekommunikations- und Medienrecht, Patentrecht, Computerrecht, Datensicherheit, Rechtsverbindliche Telekooperation) werden eingehend analysiert. Das Handbuch wendet sich an alle in Wissenschaft und Praxis mit dem Technikrecht befassten Juristen, die sich einen ersten vertieften Einblick in dieses neue Rechtsgebiet verschaffen wollen. (orig.)

  1. Balancing act: Government roles in an energy conservation network

    NARCIS (Netherlands)

    Peterman, A.; Kourula, A.; Levitt, R.

    2014-01-01

    Government-led interorganizational alliance networks present a sensible opportunity to overcome many societal challenges through collaborative governance. In particular, few researchers have studied alliance networks in the field of energy conservation in commercial buildings—a sector with unique ba

  2. 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…

  3. 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...

  4. 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.

  5. 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

  6. 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.

  7. 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...

  8. 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.

  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. 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...

  12. U.S. Atomic Energy Commission's Environmental Research Programs Established in the 1950s

    Energy Technology Data Exchange (ETDEWEB)

    Reichle, D.E.

    1999-09-22

    In 1946 the United States (U.S.) Congress passed the Atomic Energy Act and with it created the Atomic Energy Commission. For the ensuing half-century the AEC and its successors have pursued biological and environmental research with an unwavering mandate to exploit the use of fissionable and radioactive material for medical purposes and, at the same time, to ensure the health of it's workers, the public, and the environment during energy technology development and use (AEC. 1961; DOE 1983; DOE, 1997). The following pages are testimony to the success of this undeviating vision (Figure 1). From the early days of the AEC, cooperation has also linked researchers from the national laboratories, the academic community, and the private sector. The AEC-sponsored research both at national laboratories and universities, and also supported graduate students to develop a cadre of health physicists, radiation biologists, and nuclear engineers. Coordinating these diverse performers has been crucial to the unique teaming that has made many of the successes possible. The success of the biological and environmental research program has often been shared with other federal agencies. The future will demand even stronger and more substantive intraagency, interagency, and international collaborations.

  13. 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.

  14. 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)

  15. 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.

  16. 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.

  17. P.L. 110-140, "Energy Independence and Security Act of 2007" (2007)

    Energy Technology Data Exchange (ETDEWEB)

    None

    2007-12-13

    An act to move the United States toward greater energy independence and security, to increase the production of clean renewable fuels, to protect consumers, to increase the efficiency of products, buildings, and vehicles, to promote research on and deploy greenhouse gas capture and storage options, and to improve the energy performance of the Federal Government, and for other purposes.

  18. [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.

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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...

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. P.L. 100-12, "National Appliance Energy Supply Act" (1987)

    Energy Technology Data Exchange (ETDEWEB)

    None

    2011-12-13

    Amends the Energy Policy and Conservation Act to add to the list of products covered under the Act: (1) freezers which can be operated by alternating current electricity (with specified exceptions); (2) central air conditioning heat pumps; (3) direct heating equipment; and (4) pool heaters. Deletes from specific coverage: (1) humidifiers; and (2) dehumidifiers. Excludes from such coverage consumer products designed solely for use in recreational vehicles and other mobile equipment.

  11. 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…

  12. About energy planning and wind energy after the Grenelle 2 Act; De la planification energetique et de l'energie eolienne apres la Loi Grenelle 2

    Energy Technology Data Exchange (ETDEWEB)

    Roche, C. [Faculte de Droit et des Sciences Sociales de Poitiers, 86 (France)

    2011-03-15

    With the Grenelle I and II Acts, the State has agreed to encourage the development of all renewable energy sources that can be economically viable, sustainable environmentally and to raise the share of sustainable energy to at least 23 % of final energy consumption by 2020, in accordance with its European commitments. Yet the Grenelle II Act, a 'legal monument', leaves one somewhat bemused on renewable energy matters. Far from simplifying applicable rules, it seems on the contrary to make procedures more complex by adding plans and guide-lines one on top of the other. Moreover, concerning 'facilities using the mechanical energy of wind', land sites seem to be paying the cost of stricter regulations with some facilities becoming Installations Classified for the Protection of the Environment (ICPE) and only the offshore wind energy industry seems to get real support by the Act. (author)

  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. 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.

  15. 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.

  16. 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)

  17. 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.

  18. 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

  19. 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

  20. 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.``

  1. Building a Sustainable Energy Future for Africa - Acting Now and Together

    Energy Technology Data Exchange (ETDEWEB)

    Fall, L.

    2007-07-01

    The key energy challenges Africa is facing are: low level of access to commercial energy, low per capita energy consumption, weak development of energy infrastructure and lack of investment and financing for energy projects. Addressing these challenges is critical for sustainable economic and social development, and assured access to secure, affordable and reliable energy. In spite of these daunting challenges, Africa is well endowed in energy resources, but these resources are largely untapped and concentrated in a few countries. In addition, there are numerous 'rooms' for opportunities that could be seized concretely to overcome the main obstacles to the Sustainable Energy Development of the Continent. Thus, right actions must be taken to overcome these obstacles, including: financing the huge needed investments, technological development, private-public partnerships, energy market reform and effective regulation, sound and sustainable energy policies, and economic and social measures. Subsequently, from priority areas, the related stakeholders should 'act now' and 'act together', through effective collaboration and partnership and making proper alliances, to initiate effective and concrete actions to support Africa aspirations in order to build a Sustainable Energy Future for Africa, in a cost-effective and timely manner. (auth)

  2. Audit Report on "The Department of Energy's American Recovery and Reinvestment Act -- Florida State Energy Program"

    Energy Technology Data Exchange (ETDEWEB)

    None

    2010-06-01

    The Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE) provides grants to states, territories, and the District of Columbia to support their energy priorities through the State Energy Program (SEP). The SEP provides Federal financial assistance to carry out energy efficiency and renewable energy projects that meet each state's unique energy needs while also addressing national goals such as energy security. Federal funding is based on a grant formula that takes into account population and energy consumption. The SEP emphasizes the state's role as the decision maker and administrator for the program. The American Recovery and Reinvestment Act of 2009 (Recovery Act) expanded the SEP, authorizing $3.1 billion in grants. Based on existing grant formulas and after reviewing state-level plans, EERE made awards to states. The State of Florida's Energy Office (Florida) was allocated $126 million - a 90-fold increase over Florida's average annual SEP grant of $1.4 million. Per the Recovery Act, this funding must be obligated by September 30, 2010, and spent by April 30, 2012. As of March 10, 2010, Florida had expended $13.2 million of the SEP Recovery Act funds. Florida planned to use its grant funds to undertake activities that would preserve and create jobs; save energy; increase renewable energy sources; and, reduce greenhouse gas emissions. To accomplish Recovery Act objectives, states could either fund new or expand existing projects. As a condition of the awards, EERE required states to develop and implement sound internal controls over the use of Recovery Act funds. Based on the significant increase in funding from the Recovery Act, we initiated this review to determine whether Florida had internal controls in place to provide assurance that the goals of the SEP and Recovery Act will be met and accomplished efficiently and effectively. We identified weaknesses in the implementation of SEP Recovery Act projects that

  3. 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

  4. 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.

  5. Audit Report on "The Department of Energy's American Recovery and Reinvestment Act -- Florida State Energy Program"

    Energy Technology Data Exchange (ETDEWEB)

    None

    2010-06-01

    The Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE) provides grants to states, territories, and the District of Columbia to support their energy priorities through the State Energy Program (SEP). The SEP provides Federal financial assistance to carry out energy efficiency and renewable energy projects that meet each state's unique energy needs while also addressing national goals such as energy security. Federal funding is based on a grant formula that takes into account population and energy consumption. The SEP emphasizes the state's role as the decision maker and administrator for the program. The American Recovery and Reinvestment Act of 2009 (Recovery Act) expanded the SEP, authorizing $3.1 billion in grants. Based on existing grant formulas and after reviewing state-level plans, EERE made awards to states. The State of Florida's Energy Office (Florida) was allocated $126 million - a 90-fold increase over Florida's average annual SEP grant of $1.4 million. Per the Recovery Act, this funding must be obligated by September 30, 2010, and spent by April 30, 2012. As of March 10, 2010, Florida had expended $13.2 million of the SEP Recovery Act funds. Florida planned to use its grant funds to undertake activities that would preserve and create jobs; save energy; increase renewable energy sources; and, reduce greenhouse gas emissions. To accomplish Recovery Act objectives, states could either fund new or expand existing projects. As a condition of the awards, EERE required states to develop and implement sound internal controls over the use of Recovery Act funds. Based on the significant increase in funding from the Recovery Act, we initiated this review to determine whether Florida had internal controls in place to provide assurance that the goals of the SEP and Recovery Act will be met and accomplished efficiently and effectively. We identified weaknesses in the implementation of SEP Recovery Act projects that

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. Special Report "The American Recovery and Reinvestment Act and the Department of Energy"

    Energy Technology Data Exchange (ETDEWEB)

    None

    2009-03-01

    The American Recovery and Reinvestment Act of 2009 (Recovery Act) was signed into law on February 17, 2009, as a way to jumpstart the U.S. economy, create or save millions of jobs, spur technological advances in science and health, and invest in the Nation's energy future. This national effort will require an unprecedented level of transparency and accountability to ensure that U.S. citizens know where their tax dollars are going and how they are being spent. As part of the Recovery Act, the Department of Energy will receive more than $38 billion to support a number of science, energy, and environmental initiatives. Additionally, the Department's authority to make or guarantee energy-related loans has increased to about $127 billion. The Department plans to disburse the vast majority of the funds it receives through grants, cooperative agreements, contracts, and other financial instruments. The supplemental funding provided to the Department of Energy under the Recovery Act dwarfs the Department's annual budget of about $27 billion. The infusion of these funds and the corresponding increase in effort required to ensure that they are properly controlled and disbursed in a timely manner will, without doubt, strain existing resources. It will also have an equally challenging impact on the inherent risks associated with operating the Department's sizable portfolio of missions and activities and, this is complicated by the fact that, in many respects, the Recovery Act requirements represent a fundamental transformation of the Department's mission. If these challenges are to be met successfully, all levels of the Department's structure and its many constituents, including the existing contractor community; the national laboratory system; state and local governments; community action groups and literally thousands of other contract, grant, loan and cooperative agreement recipients throughout the Nation will have to strengthen existing or

  11. 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.

  12. 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.

  13. Energy Policy Act transportation rate study: Availability of data and studies

    Energy Technology Data Exchange (ETDEWEB)

    1993-10-13

    Pursuant to Section 1340(c) of the Energy Policy Act of 1992 (EPACT), this report presents the Secretary of Energy`s review of data collected by the Federal Government on rates for rail and pipeline transportation of domestic coal, oil, and gas for the years 1988 through 1997, and proposals to develop an adequate data base for each of the fuels, based on the data availability review. This report also presents the Energy Information Administration`s findings regarding the extent to which any Federal agency is studying the impacts of the Clean Air Act Amendments of 1990 (CAAA90) and other Federal policies on the transportation rates and distribution patterns of domestic coal, oil, and gas.

  14. 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)

  15. 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.

  16. 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".

  17. 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.

  18. P.L. 94-163, "Energy Policy and Conservation Act" (EPCA) (1975)

    Energy Technology Data Exchange (ETDEWEB)

    None

    2011-12-13

    Energy Policy and Conservation Act. Bill Summary & Status 94th Congress. Issue orders prohibiting power plants and major fuel burning installations from using natural gas or petroleum products as fuel if they had been capable on June 22, 1974, of burning coal.

  19. Wave loadings acting on innovative rubble mound breakwater for overtopping wave energy conversion

    DEFF Research Database (Denmark)

    Contestabile, Pasquale; Iuppa, Claudio; Lauro, Enrico Di

    2017-01-01

    Highlights •An innovative breakwater for overtopping wave energy conversion has been studied. •Physical model tests have been carried out and analysed. •Breakwater design information on loadings acting on various parts of the structure has been presented. •Design formulae and validation of some...

  20. 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...

  1. 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

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. The Russian Federation's Ministry of Atomic Energy: Programs and Developments

    Energy Technology Data Exchange (ETDEWEB)

    CM Johnson

    2000-07-24

    This paper reviews select programs driving the Ministry of Atomic Energy of the Russian Federation's (Minatom) efforts to raise funds, comments on their potential viability, and highlights areas likely to be of particular concern for the US over the next three to five years. The paper's findings are: (1) Despite numerous cabinet displacements throughout the Yeltsin administration, Yevgeny Adamov was reappointed Minister on four occasions. With Boris Yeltsin's January 1, 2000 resignation, Adamov's long-term position as the head of the Ministry is more tenuous, but he will likely retain his position until at least the March 2000 elections. Acting President Vladimir Putin is unlikely to reorganize his cabinet prior to that date and there are no signs that Putin is dissatisfied with Adamov's leadership of Minatom. (2) Adamov's chief priorities are downsizing Minatom's defense sector, increasing the oversight of subsidiary bodies by the central bureaucracy and consolidating commercial elements of the Ministry within an umbrella organization called Atomprom. (3) Viktor Mikhaylov, Adamov's predecessor and critic of his reform efforts, has been relieved of his duties as First Deputy Minister. While he retains his positions as Chief of the Science Councils and Chief Scientist at Arzamas-16, his influence on Minatom's direction is greatly diminished. Adamov will likely continue his efforts to further marginalize Mikhaylov in the coming year. (4) Securing extra-budgetary sources of income continues to be the major factor guiding Minatom's international business dealings. The Ministry will continue to aggressively promote the sale of nuclear technology abroad, often to countries with questionable nonproliferation commitments. (5) Given the financial difficulties in Russia and Minatom's client states, however, few nuclear development programs will come to fruition for a number of years, if ever. Nevertheless, certain

  7. 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...

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  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. 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.

  15. 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.

  16. Interactions between Energy Efficiency Programs funded under the Recovery Act and Utility Customer-Funded Energy Efficiency Programs

    Energy Technology Data Exchange (ETDEWEB)

    Goldman, Charles A.; Stuart, Elizabeth; Hoffman, Ian; Fuller, Merrian C.; Billingsley, Megan A.

    2011-02-25

    Since the spring of 2009, billions of federal dollars have been allocated to state and local governments as grants for energy efficiency and renewable energy projects and programs. The scale of this American Reinvestment and Recovery Act (ARRA) funding, focused on 'shovel-ready' projects to create and retain jobs, is unprecedented. Thousands of newly funded players - cities, counties, states, and tribes - and thousands of programs and projects are entering the existing landscape of energy efficiency programs for the first time or expanding their reach. The nation's experience base with energy efficiency is growing enormously, fed by federal dollars and driven by broader objectives than saving energy alone. State and local officials made countless choices in developing portfolios of ARRA-funded energy efficiency programs and deciding how their programs would relate to existing efficiency programs funded by utility customers. Those choices are worth examining as bellwethers of a future world where there may be multiple program administrators and funding sources in many states. What are the opportunities and challenges of this new environment? What short- and long-term impacts will this large, infusion of funds have on utility customer-funded programs; for example, on infrastructure for delivering energy efficiency services or on customer willingness to invest in energy efficiency? To what extent has the attribution of energy savings been a critical issue, especially where administrators of utility customer-funded energy efficiency programs have performance or shareholder incentives? Do the new ARRA-funded energy efficiency programs provide insights on roles or activities that are particularly well-suited to state and local program administrators vs. administrators or implementers of utility customer-funded programs? The answers could have important implications for the future of U.S. energy efficiency. This report focuses on a selected set of ARRA

  17. 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.

  18. 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.

  19. 75 FR 68094 - Partial Grant and Partial Denial of Clean Air Act Waiver Application Submitted by Growth Energy...

    Science.gov (United States)

    2010-11-04

    ... Partial Denial of Clean Air Act Waiver Application Submitted by Growth Energy To Increase the Allowable... AGENCY [EPA-HQ-OAR-2009-0211; FRL-9215-5] Partial Grant and Partial Denial of Clean Air Act Waiver Application Submitted by Growth Energy To Increase the Allowable Ethanol Content of Gasoline to 15...

  20. Imaging atomic-scale effects of high-energy ion irradiation on superconductivity and vortex pinning in Fe(Se,Te).

    Science.gov (United States)

    Massee, Freek; Sprau, Peter Oliver; Wang, Yong-Lei; Davis, J C Séamus; Ghigo, Gianluca; Gu, Genda D; Kwok, Wai-Kwong

    2015-05-01

    Maximizing the sustainable supercurrent density, J C, is crucial to high-current applications of superconductivity. To achieve this, preventing dissipative motion of quantized vortices is key. Irradiation of superconductors with high-energy heavy ions can be used to create nanoscale defects that act as deep pinning potentials for vortices. This approach holds unique promise for high-current applications of iron-based superconductors because J C amplification persists to much higher radiation doses than in cuprate superconductors without significantly altering the superconducting critical temperature. However, for these compounds, virtually nothing is known about the atomic-scale interplay of the crystal damage from the high-energy ions, the superconducting order parameter, and the vortex pinning processes. We visualize the atomic-scale effects of irradiating FeSe x Te1-x with 249-MeV Au ions and find two distinct effects: compact nanometer-sized regions of crystal disruption or "columnar defects," plus a higher density of single atomic site "point" defects probably from secondary scattering. We directly show that the superconducting order is virtually annihilated within the former and suppressed by the latter. Simultaneous atomically resolved images of the columnar crystal defects, the superconductivity, and the vortex configurations then reveal how a mixed pinning landscape is created, with the strongest vortex pinning occurring at metallic core columnar defects and secondary pinning at clusters of point-like defects, followed by collective pinning at higher fields.

  1. 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.

  2. Implementation plan review for Guam as required by the Energy Supply and Environmental Coordination Act

    Energy Technology Data Exchange (ETDEWEB)

    1975-02-01

    Section IV of the Energy Supply and Environmental Coordination Act of 1974, (ESECA) requires EPA to review each State Implementation Plan (SIP) to determine if revisions can be made to control regulations for stationary fuel combustion sources without interfering with the attainment and maintenance of the national ambient air quality standards. This document, which is also required by Section IV of ESECA, is EPA's report to the State indicating where regulations might be revised. (GRA)

  3. Recent Development of Advanced Electrode Materials by Atomic Layer Deposition for Electrochemical Energy Storage.

    Science.gov (United States)

    Guan, Cao; Wang, John

    2016-10-01

    Electrode materials play a decisive role in almost all electrochemical energy storage devices, determining their overall performance. Proper selection, design and fabrication of electrode materials have thus been regarded as one of the most critical steps in achieving high electrochemical energy storage performance. As an advanced nanotechnology for thin films and surfaces with conformal interfacial features and well controllable deposition thickness, atomic layer deposition (ALD) has been successfully developed for deposition and surface modification of electrode materials, where there are considerable issues of interfacial and surface chemistry at atomic and nanometer scale. In addition, ALD has shown great potential in construction of novel nanostructured active materials that otherwise can be hardly obtained by other processing techniques, such as those solution-based processing and chemical vapor deposition (CVD) techniques. This review focuses on the recent development of ALD for the design and delivery of advanced electrode materials in electrochemical energy storage devices, where typical examples will be highlighted and analyzed, and the merits and challenges of ALD for applications in energy storage will also be discussed.

  4. 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.

  5. Atomic energy law after the opt-out. Alive and fascinating. Report about the 14{sup th} German atomic energy law symposium 2012; Atomrecht nach dem Ausstieg. Lebendig und spannend. Tagungsbericht 14. Deutsches Atomrechtssymposium 2012

    Energy Technology Data Exchange (ETDEWEB)

    Leidinger, Tobias [Gleiss Lutz Rechtsanwaelte, Duesseldorf (Germany)

    2013-01-15

    Atomic energy law remains a living, fascinating subject matter. Nearly 200 participants were convinced of this impression at the 14{sup th} German Atomic Energy Law Symposium held in Berlin on November 19-20, 2012. Under the scientific chairmanship of Professor Dr. Martin Burgi, Ludwig Maximilian University of Munich, the German Federal Ministry for the Environment, Nature Conservation and Nuclear Safety (BMU), after an interruption of 5 years, again organized a scientific conference about practice-related topics of atomic energy and radiation protection law. Atomic energy law once again proved to be a reference area for sophisticated issues of constitutional law and administrative law above and beyond its technical confines. The agenda of the 14{sup th} German Atomic Energy Law Symposium featured a broad spectrum of topics ranging from backfitting of nuclear power plants to European atomic energy and radiation protection law, to challenges facing national legal systems in the execution of atomic energy law, to legal issues connected with decommissioning and waste management, and on to the topical subject of finding a repository site. The 14{sup th} German Atomic Energy Law Symposium, on the whole, again demonstrated that an open discourse between science and practice is able to furnish important contributions to the implementation of laws in a balanced way rooted in practice. Especially the contributions dealing with the independence of public authorities and their organization, the doctrine of the reservation of functions of the executive branch, and planning by laws contain additional provisions able to influence the continued development of administrative law also above and beyond atomic energy law. The BMU also referred to a decision just heard from Brussels to the effect that a new European Safety Directive would be published as early as in 2013. As a consequence of the nuclear stress tests conducted EU-wide, the Directive is to lay down provisions about

  6. Energy policy act transportation study: Interim report on natural gas flows and rates

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-11-17

    This report, Energy Policy Act Transportation Study: Interim Report on Natural Gas Flows and Rates, is the second in a series mandated by Title XIII, Section 1340, ``Establishment of Data Base and Study of Transportation Rates,`` of the Energy Policy Act of 1992 (P.L. 102--486). The first report Energy Policy Act Transportation Study: Availability of Data and Studies, was submitted to Congress in October 1993; it summarized data and studies that could be used to address the impact of legislative and regulatory actions on natural gas transportation rates and flow patterns. The current report presents an interim analysis of natural gas transportation rates and distribution patterns for the period from 1988 through 1994. A third and final report addressing the transportation rates and flows through 1997 is due to Congress in October 2000. This analysis relies on currently available data; no new data collection effort was undertaken. The need for the collection of additional data on transportation rates will be further addressed after this report, in consultation with the Congress, industry representatives, and in other public forums.

  7. An Apparatus for the Measurement of Various Scattering Processes in Intermediate Energy, Ion - Atom Collisions

    Energy Technology Data Exchange (ETDEWEB)

    Kvale, T. J.; Seely, D. G.

    1998-07-01

    This paper summarizes the main features of an apparatus constructed at the University of Toledo for the study of various scattering processes in intermediate energy, ion - atom collisions. The main purpose of this facility is to provide experimental data which serve as benchmarks to test current scattering theories for those processes. Recent measurements of single electron detachment (SED) and double electron detachment (DED) total cross sections for 5-50 keV H{sup -} ions incident on noble gases and for 10-50 keV H{sup -} ions incident on CH{sub 4} molecules were conducted in this laboratory. As a result of an analysis of the scattered beam growth curves, information about other charge-changing cross sections in the hydrogen-atom (molecule) collision systems were obtain, as well.

  8. Software development agreement between CERN and the Indian Department of Atomic Energy

    CERN Multimedia

    Patrice Loïez

    2003-01-01

    The development and prototyping work for the LHC computing facility is being organised as a project that includes many scientific institutes and industrial partners, coordinated by CERN. The project is nicknamed LCG (after LHC Computing Grid). Addendum No. 1 to the Protocol dated 24/09/02 to the 1991 co-operation agreement between CERN and the Department of Atomic Energy (DAE) of the Government of India defines the collaboration between CERN and DAE on software development for the LCG Prototype Project. Photo 01: Signing the addendum are G. Govindrajan (left), Director of the Electronics and Instrumentation Group at the Bhabha Atomic Research Centre, Mumbai, India and Dr. Hans Hoffmann, CERN Director for Technology Transfer and for Scientific Computing. Looking on are Christoph Eck (far left), resource manager of the LCG Project and Les Robertson, LCG Project Leader. Photo 02: (left to right) Christoph Eck, resource manager of the LCG Project; G. Govindrajan, Director of the Electronics and Instrumentation G...

  9. Software development agreement between CERN and the Indian Department of Atomic Energy

    CERN Multimedia

    Patrice Loïez

    2003-01-01

    The development and prototyping work for the LHC computing facility is being organised as a project that includes many scientific institutes and industrial partners, coordinated by CERN. The project is nicknamed LCG (after LHC Computing Grid). Addendum No. 1 to the Protocol dated 24/09/02 to the 1991 co-operation agreement between CERN and the Department of Atomic Energy (DAE) of the Government of India defines the collaboration between CERN and DAE on software development for the LCG Prototype Project. Signing the addendum are G. Govindrajan (left), Director of the Electronics and Instrumentation Group at the Bhabha Atomic Research Centre, Mumbai, India and Dr. Hans Hoffmann, CERN Director for Technology Transfer and for Scientific Computing.

  10. Demystifying Introductory Chemistry. Part 4: An Approach to Reaction Thermodynamics through Enthalpies, Entropies, and Free Energies of Atomization.

    Science.gov (United States)

    Spencer, James N.; And Others

    1996-01-01

    Presents an alternative approach to teaching reaction thermodynamics in introductory chemistry courses using calculations of enthalpies, entropies, and free energies of atomization. Uses a consistent concept, that of decomposition of a compound to its gaseous atoms, to discuss not only thermodynamic parameters but also equilibrium and…

  11. 78 FR 56944 - Strata Energy, Inc. (Ross In Situ Recovery Uranium Project); Notice of Atomic Safety and...

    Science.gov (United States)

    2013-09-16

    ... From the Federal Register Online via the Government Publishing Office NUCLEAR REGULATORY COMMISSION Strata Energy, Inc. (Ross In Situ Recovery Uranium Project); Notice of Atomic Safety and Licensing Board Reconstitution Pursuant to 10 CFR 2.313(c) and 2.321(b), the Atomic Safety and Licensing...

  12. On the combination of a low energy hydrogen atom beam with a cold multipole ion trap

    Energy Technology Data Exchange (ETDEWEB)

    Borodi, Gheorghe

    2008-12-09

    The first part of the activities of this thesis was to develop a sophisticated ion storage apparatus dedicated to study chemical processes with atomic hydrogen. The integration of a differentially pumped radical beam source into an existing temperature variable 22- pole trapping machine has required major modifications. Since astrophysical questions have been in the center of our interest, the introduction first gives a short overview of astrophysics and -chemistry. The basics of ion trapping in temperature variable rf traps is well-documented in the literature; therefore, the description of the basic instrument (Chapter 2) is kept rather short. Much effort has been put into the development of an intense and stable source for hydrogen atoms the kinetic energy of which can be changed. Chapter 3 describes this module in detail with emphasis on the integration of magnetic hexapoles for guiding the atoms and special treatments of the surfaces for reducing H-H recombination. Due to the unique sensitivity of the rf ion trapping technique, this instrument allows one to study a variety of reactions of astrochemical and fundamental interest. The results of this work are summarized in Chapter 4. Reactions of CO{sub 2}{sup +} with hydrogen atoms and molecules have been established as calibration standard for in situ determination of H and H{sub 2} densities over the full temperature range of the apparatus (10 K-300 K). For the first time, reactions of H- and D-atoms with the ionic hydrocarbons CH{sup +}, CH{sub 2}{sup +}, and CH{sub 4}{sup +} have been studied at temperatures of interstellar space. A very interesting, not yet fully understood collision system is the interaction of protonated methane with H. The outlook presents some ideas, how to improve the new instrument and a few reaction systems are mentioned which may be studied next. (orig.)

  13. 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.

  14. Evaluation of atomic electron binding energies for Monte Carlo particle transport

    CERN Document Server

    Pia, Maria Grazia; Batic, Matej; Begalli, Marcia; Kim, Chan Hyeong; Quintieri, Lina; Saracco, Paolo

    2011-01-01

    A survey of atomic binding energies used by general purpose Monte Carlo systems is reported. Various compilations of these parameters have been evaluated; their accuracy is estimated with respect to experimental data. Their effects on physics quantities relevant to Monte Carlo particle transport are highlighted: X-ray fluorescence emission, electron and proton ionization cross sections, and Doppler broadening in Compton scattering. The effects due to different binding energies are quantified with respect to experimental data. The results of the analysis provide quantitative ground for the selection of binding energies to optimize the accuracy of Monte Carlo simulation in experimental use cases. Recommendations on software design dealing with these parameters and on the improvement of data libraries for Monte Carlo simulation are discussed.

  15. Double-electron capture by highly-ionized atoms isolated at very low energy

    Science.gov (United States)

    Fogwell Hoogerheide, Shannon; Dreiling, Joan M.; Sahiner, Arda; Tan, Joseph N.

    2016-05-01

    Charge exchange with background gases, also known as electron capture processes, is important in the study of comets, controlled fusion energy, anti-matter atoms, and proposed one-electron ions in Rydberg states. However, there are few experiments in the very low energy regime that could be useful for further theoretical development. At NIST, highly-charged ions extracted from an electron-beam ion trap can be isolated with energy state. Analysis using a system of rate equations yields information about the ion cloud expansion and single-electron capture rates. A substantial amount of double-electron capture is also observed. We present the relative rates and discuss the error budget. SFH and JMD were funded by National Research Council Research Associateship Awards during some of this work.

  16. APPLICATION OF CORRELATION—POLARIZA TION POTENTIAL TO THE LOW—ENERGY ELECTRON SCATTERING WITH ATOMS AND MOLECULES

    Institute of Scientific and Technical Information of China (English)

    Zhijie; JianminYuan

    1990-01-01

    Applicability of the correlation potential,which is currently used in the local density functional theory,to the low-energy electron-atom and molecule scattering is investigated with some examples of scattering processes.

  17. ELENA MCP detector: absolute detection efficiency for low-energy neutral atoms

    Science.gov (United States)

    Rispoli, R.; De Angelis, E.; Colasanti, L.; Vertolli, N.; Orsini, S.; Scheer, J. A.; Mura, A.; Milillo, A.; Wurz, P.; Selci, S.; Di Lellis, A. M.; Leoni, R.; D'Alessandro, M.; Mattioli, F.; Cibella, S.

    2012-09-01

    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 of ESA to Mercury to be launched in 2015. ELENA is a Time of Flight (TOF) sensor, based on a novel concept using an ultra-sonic oscillating shutter (Start section), which is operated at frequencies up to 50 kHz; a MCP detector is used as a Stop detector. The scientific objective of ELENA is to detect energetic neutral atoms in the range 10 eV - 5 keV, within 76° 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 plasma environment and the planet’s surface, the global particle loss-rate and the remote sensing of the surface properties. In particular, surface release processes are investigated by identifying particles released from the surface, via solar wind-induced ion sputtering (MEFISTO facility of the Physical Institute of the University of Bern (CH), measurements on three different types of MCP (with and without coating) have been performed providing the detection efficiencies in the energy range 10eV - 1keV. Outcomes from such measurements are discussed here.

  18. Application of an excited state LDA exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Shamim, Md; Harbola, Manoj K, E-mail: sami@iitk.ac.i, E-mail: mkh@iitk.ac.i [Department of Physics, Indian Institute of Technology, Kanpur 208 016 (India)

    2010-11-14

    Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.

  19. The University of Rochester Atomic Energy Project quarterly report, April 1, 1950--June 30, 1950

    Energy Technology Data Exchange (ETDEWEB)

    Blair, H.A.

    1950-12-31

    This quarterly progress report gives an overview of the University of Rochester Atomic Energy Project for April 1, 1950 thru June 30, 1950. Sections included are entitled (1) Biological Effects of External Radiation (X-rays and gamma rays), (2) Biological Effects of External Radiation (Infra-red and ultraviolet), (3) Biological effects of radioactive materials (polonium, radon, thoron, and miscellaneous project materials), (4) Uranium, (5) Beryllium, (7) thorium, (8) fluoride, (9) zirconium, (10) special materials, (11) Isotopes, (12) Outside services, (12) Project health, (13) Health physics, (14) Special Clinical Service, and (15) Instrumentation (Spectroscopy, electron microscopy, x-ray and nuclear radiation detectors, x-ray diffraction, and electronics).

  20. Atomic layer epitaxy of hematite on indium tin oxide for application in solar energy conversion

    Energy Technology Data Exchange (ETDEWEB)

    Martinson, Alex B.; Riha, Shannon; Guo, Peijun; Emery, Jonathan D.

    2016-07-12

    A method to provide an article of manufacture of iron oxide on indium tin oxide for solar energy conversion. An atomic layer epitaxy method is used to deposit an uncommon bixbytite-phase iron (III) oxide (.beta.-Fe.sub.2O.sub.3) which is deposited at low temperatures to provide 99% phase pure .beta.-Fe.sub.2O.sub.3 thin films on indium tin oxide. Subsequent annealing produces pure .alpha.-Fe.sub.2O.sub.3 with well-defined epitaxy via a topotactic transition. These highly crystalline films in the ultra thin film limit enable high efficiency photoelectrochemical chemical water splitting.

  1. Current and anticipated uses of thermal hydraulic codes at the Japan Atomic Energy Research Institute

    Energy Technology Data Exchange (ETDEWEB)

    Akimoto, Hajime; Kukita; Ohnuki, Akira [Japan Atomic Energy Research Institute, Ibaraki (Japan)

    1997-07-01

    The Japan Atomic Energy Research Institute (JAERI) is conducting several research programs related to thermal-hydraulic and neutronic behavior of light water reactors (LWRs). These include LWR safety research projects, which are conducted in accordance with the Nuclear Safety Commission`s research plan, and reactor engineering projects for the development of innovative reactor designs or core/fuel designs. Thermal-hydraulic and neutronic codes are used for various purposes including experimental analysis, nuclear power plant (NPP) safety analysis, and design assessment.

  2. Scaled-energy spectroscopy of helium \\|M\\|=1 Rydberg atoms in a static electric field

    Science.gov (United States)

    Kips, Annemieke; Vassen, Wim; Hogervorst, Wim; Dando, Paul A.

    1998-10-01

    We present scaled-energy spectra on helium Rydberg atoms in a static electric field. \\|M\\|=1 states were studied in excitation from the 2 1S0 metastable state. Spectra were recorded for ɛ=-2.940(4), ɛ=-2.350(4), both below the saddle point, and ɛ=-1.760(4), above the saddle point. Closed-orbit theory was applied to interpret the spectra. A recent extension to closed-orbit theory, incorporating core effects, was used. This significantly improved agreement between experiment and theory.

  3. X-alpha calculation of transition energies in multiply ionized atoms

    Science.gov (United States)

    Ringers, D. A.; Chen, M. H.

    1974-01-01

    It is shown that the accuracy of calculations can be improved if appropriate (different) values of alpha are used for each configuration. Alternatively, the Slater Transition state can be used, wherein a total energy difference is related to a difference in single electron eigenvalues. By a series expansion, the value of alpha for an excited configuration can be related to its value for the ground state configuration. The terms Delta alpha (delta Epsilon/delta alpha) exhibit a similar dependence on atomic number as the ground state values of alpha. Results of sample calculations are reported and compared with experiment.

  4. Energy landscape investigation by wavelet transform analysis of atomic force spectroscopy data in a biorecognition experiment.

    Science.gov (United States)

    Bizzarri, Anna Rita

    2016-01-01

    Force fluctuations recorded in an atomic force spectroscopy experiment, during the approach of a tip functionalized with biotin towards a substrate charged with avidin, have been analyzed by a wavelet transform. The observation of strong transient changes only when a specific biorecognition process between the partners takes place suggests a drastic modulation of the force fluctuations when biomolecules recognize each other. Such an analysis allows to investigate the peculiar features of a biorecognition process. These results are discussed in connection with the possible role of energy minima explored by biomolecules during the biorecognition process.

  5. Real-time study of the adiabatic energy loss in an atomic collision with a metal cluster.

    Science.gov (United States)

    Baer, Roi; Siam, Nidal

    2004-10-01

    Gas-phase hydrogen atoms are accelerated towards metallic surfaces in their vicinity. As it approaches the surface, the velocity of an atom increases and this motion excites the metallic electrons, causing energy loss to the atom. This dissipative dynamics is frequently described as atomic motion under friction, where the friction coefficient is obtained from ab initio calculations assuming a weak interaction and slow atom. This paper tests the aforementioned approach by comparing to a real-time Ehrenfest molecular dynamics simulation of such a process. The electrons are treated realistically using standard approximations to time-dependent density functional theory. We find indeed that the electronic excitations produce a friction-like force on the atom. However, the friction coefficient strongly depends on the direction of the motion of the atom: it is large when the atom is moving towards the cluster and much smaller when the atom is moving away. It is concluded that a revision of the model for energy dissipation at metallic surfaces, at least for clusters, may be necessary.

  6. Enhanced creation of dispersive monolayer phonons in Xe/Pt(111) by inelastic helium atom scattering at low energies

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Bruch, Ludwig Walter

    2007-01-01

    Conditions likely to lead to enhanced inelastic atomic scattering that creates shear horizontal (SH) and longitudinal acoustic (LA) monolayer phonons are identified, specifically examining the inelastic scattering of He-4 atoms by a monolayer solid of Xe/Pt(111) at incident energies of 2-25 me...... an absorbing potential at large distance. The times now extend to beyond 100 ps and enable a clarification of processes involving transient trapping of the He atoms. The wave packet is made more monochromatic by significantly increasing the spatial width of the initial Gaussian shape. The narrower energy...

  7. Low-energy electron elastic scattering from Os atom: New electron affinity

    Science.gov (United States)

    Felfli, Z.; Kiros, F.; Msezane, A. Z.

    2013-05-01

    Bilodeau and Haugan measured the binding energies (BEs) of the ground state and the excited state of the Os- ion to be 1.07780(12) eV and 0.553(3) eV, respectively. These values are consistent with those calculated in. Here our investigation, using the recent complex angular momentum methodology wherein is embedded the crucial electron-electron correlations and the vital core polarization interaction, has found that the near threshold electron-Os elastic scattering total cross section (TCS) is characterized by three stable bound states of the Os- ion formed as resonances during the slow electron collision, with BEs of 1.910 eV, 1.230 eV and 0.224 eV. The new extracted electron affinity (EA) value from the TCS of 1.910 eV for the Os atom is significantly different from that measured in. Our calculated elastic differential cross sections (DCSs) also yield the relevant BEs for the ground and the two excited states of the Os- ion. The complex characteristic resonance structure in the TCS for the Os atom is ideal for catalysis, but makes it difficult to execute the Wigner threshold law in describing the threshold detachment behavior of complex atoms and extracting the reliable attendant EAs. Supported by U.S. DOE, AFOSR and CAU CFNM, NSF-CREST Program.

  8. A Terrestrial Search for Dark Contents of the Vacuum, Such as Dark Energy, Using Atom Interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Adler, Ronald J.; /Stanford U., HEPL /San Francisco State U.; Muller, Holger; /UC, Berkeley; Perl, Martin L.; /KIPAC, Menlo Park /SLAC

    2012-06-11

    We describe the theory and first experimental work on our concept for searching on earth for the presence of dark contents of the vacuum (DCV) using atom interferometry. Specifically, we have in mind any DCV that has not yet been detected on a laboratory scale, but which might manifest itself as dark energy on the cosmological scale. The experimental method uses two atom interferometers to cancel the effect of earth's gravity and diverse noise sources. It depends upon two assumptions: first, that the DCV possesses some space inhomogeneity in density, and second that it exerts a sufficiently strong nongravitational force on matter. The motion of the apparatus through the DCV should then lead to an irregular variation in the detected matter-wave phase shift. We discuss the nature of this signal and note the problem of distinguishing it from instrumental noise. We also discuss the relation of our experiment to what might be learned by studying the noise in gravitational wave detectors such as LIGO. The paper concludes with a projection that a future search of this nature might be carried out using an atom interferometer in an orbiting satellite. The laboratory apparatus is now being constructed.

  9. Magnetizabilities of relativistic hydrogenlike atoms in some arbitrary discrete energy eigenstates

    CERN Document Server

    Stefańska, Patrycja

    2016-01-01

    We present the results of numerical calculations of magnetizability ($\\chi$) of the relativistic one-electron atoms with a pointlike, spinless and motionless nuclei of charge $Ze$. Exploiting the analytical formula for $\\chi$ recently derived by us [P. Stefa{\\'n}ska, 2015], valid for an arbitrary discrete energy eigenstate, we have found the values of the magnetizability for the ground state and for the first and the second set of excited states (i.e.: $2s_{1/2}$, $2p_{1/2}$, $2p_{3/2}$, $3s_{1/2}$, $3p_{1/2}$, $3p_{3/2}$, $3d_{3/2}$, and $3d_{5/2}$) of the Dirac one-electron atom. The results for ions with the atomic number $1 \\leqslant Z \\leqslant 137$ are given in 14 tables. The comparison of the numerical values of magnetizabilities for the ground state and for each states belonging to the first set of excited states of selected hydrogenlike ions, obtained with the use of two different values of the fine-structure constant, i.e.: $\\alpha^{-1}=137.035 999 139$ (CODATA 2014) and $\\alpha^{-1}=137.035 999 074...

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

    Energy Technology Data Exchange (ETDEWEB)

    Bonnin, Anne, E-mail: annebonnin@free.fr [ESRF, 6 Jules Horowitz, F-38073 Grenoble Cedex (France); LVA, Vibrations and Acoustic Laboratory, INSA-Lyon, Université de Lyon, F-69621 Villeurbanne Cedex (France); Duvauchelle, Philippe, E-mail: philippe.duvauchelle@insa-lyon.fr [LVA, Vibrations and Acoustic Laboratory, INSA-Lyon, Université de Lyon, F-69621 Villeurbanne Cedex (France); Kaftandjian, Valérie [LVA, Vibrations and Acoustic Laboratory, INSA-Lyon, Université de Lyon, F-69621 Villeurbanne Cedex (France); Ponard, Pascal [Thales Electron Devices SAS, 2 Rue Marcel Dassault, BP23 78141 Vélizy, Villacoublay Cedex (France)

    2014-01-01

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

  11. Self-Energy Correction to the Two-Photon Decay Width in Hydrogenlike Atoms

    CERN Document Server

    Jentschura, U D

    2004-01-01

    We investigate the gauge invariance of the leading logarithmic radiative correction to the two-photon decay width in hydrogenlike atoms. It is shown that an effective treatment of the correction using a Lamb-shift "potential" leads to equivalent results in both the length as well as the velocity gauges provided all relevant correction terms are taken into account. Specifically, the relevant radiative corrections are related to the energies that enter into the propagator denominators, to the Hamiltonian, to the wave functions, and to the energy conservation condition that holds between the two photons; the form of all of these effects is different in the two gauges, but the final result is shown to be gauge invariant, as it should be. Although the actual calculation only involves integrations over nonrelativistic hydrogenic Green functions, the derivation of the leading logarithmic correction can be regarded as slightly more complex than that of other typical logarithmic terms. The dominant radiative correctio...

  12. Atomic structure of "multilayer silicene" grown on Ag(111): Dynamical low energy electron diffraction analysis

    Science.gov (United States)

    Kawahara, Kazuaki; Shirasawa, Tetsuroh; Lin, Chun-Liang; Nagao, Ryo; Tsukahara, Noriyuki; Takahashi, Toshio; Arafune, Ryuichi; Kawai, Maki; Takagi, Noriaki

    2016-09-01

    We have investigated the atomic structure of the "multilayer silicene" grown on the Ag(111) single crystal surface by using low energy electron diffraction (LEED) and scanning tunneling microscopy (STM). We measured the intensity of the LEED spot as a function of the incident electron energy (I-V curve) and analyzed the I-V curve using a dynamical LEED theory. We have found that the Si(111)(√{ 3} ×√{ 3})-Ag model well reproduces the I-V curve whereas the models consisting of the honeycomb structure of Si do not. The bias dependence of the STM image of multilayer silicene agrees with that of the Si(111)(√{ 3} ×√{ 3})-Ag reconstructed surface. Consequently, we have concluded that the multilayer silicene grown on Ag(111) is identical to the Si(111)(√{ 3} ×√{ 3})-Ag reconstructed structure.

  13. Geothermal research and development program of the US Atomic Energy Commission

    Science.gov (United States)

    Werner, L. B.

    1974-01-01

    Within the overall federal geothermal program, the Atomic Energy Commission has chosen to concentrate on development of resource utilization and advanced research and technology as the areas most suitable to the expertise of its staff and that of the National Laboratories. The Commission's work in geothermal energy is coordinated with that of other agencies by the National Science Foundation, which has been assigned lead agency by the Office of Management and Budget. The objective of the Commission's program, consistent with the goals of the total federal program is to facilitate, through technological advancement and pilot plant operations, achievement of substantial commercial production of electrical power and utilization of geothermal heat by the year 1985. This will hopefully be accomplished by providing, in conjunction with industry, credible information on the economic operation and technological reliability of geothermal power and use of geothermal heat.

  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. Charge-state-dependent energy loss of slow ions. II. Statistical atom model

    Science.gov (United States)

    Wilhelm, Richard A.; Möller, Wolfhard

    2016-05-01

    A model for charge-dependent energy loss of slow ions is developed based on the Thomas-Fermi statistical model of atoms. Using a modified electrostatic potential which takes the ionic charge into account, nuclear and electronic energy transfers are calculated, the latter by an extension of the Firsov model. To evaluate the importance of multiple collisions even in nanometer-thick target materials we use the charge-state-dependent potentials in a Monte Carlo simulation in the binary collision approximation and compare the results to experiment. The Monte Carlo results reproduce the incident charge-state dependence of measured data well [see R. A. Wilhelm et al., Phys. Rev. A 93, 052708 (2016), 10.1103/PhysRevA.93.052708], even though the experimentally observed charge exchange dependence is not included in the model.

  16. 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.

  17. Imaging the heliosphere using neutral atoms from solar wind energy down to 15 eV

    Energy Technology Data Exchange (ETDEWEB)

    Galli, A.; Wurz, P. [Physics Institute, University of Bern, Bern 3012 (Switzerland); Fuselier, S. A.; McComas, D. J. [Southwest Research Institute, San Antonio, TX 78228 (United States); Bzowski, M.; Sokół, J. M.; Kubiak, M. A. [Space Research Centre, Polish Academy of Sciences, Warsaw 00-716 (Poland); Möbius, E. [University of New Hampshire, Durham, NH 03824 (United States)

    2014-11-20

    We study the spatial and temporal distribution of hydrogen energetic neutral atoms (ENAs) from the heliosheath observed with the IBEX-Lo sensor of the Interstellar Boundary EXplorer (IBEX) from solar wind energies down to the lowest available energy (15 eV). All available IBEX-Lo data from 2009 January until 2013 June were included. The sky regions imaged when the spacecraft was outside of Earth's magnetosphere and when the Earth was moving toward the direction of observation offer a sufficient signal-to-noise ratio even at very low energies. We find that the ENA ribbon—a 20° wide region of high ENA intensities—is most prominent at solar wind energies whereas it fades at lower energies. The maximum emission in the ribbon is located near the poles for 2 keV and closer to the ecliptic plane for energies below 1 keV. This shift is an evidence that the ENA ribbon originates from the solar wind. Below 0.1 keV, the ribbon can no longer be identified against the globally distributed ENA signal. The ENA measurements in the downwind direction are affected by magnetospheric contamination below 0.5 keV, but a region of very low ENA intensities can be identified from 0.1 keV to 2 keV. The energy spectra of heliospheric ENAs follow a uniform power law down to 0.1 keV. Below this energy, they seem to become flatter, which is consistent with predictions. Due to the subtraction of local background, the ENA intensities measured with IBEX agree with the upper limit derived from Lyα observations.

  18. Interactions and low energy collisions between an alkali ion and an alkali atom of different nucleus

    CERN Document Server

    Rakshit, Arpita; Berriche, Hamid; Deb, Bimalendu

    2015-01-01

    We study theoretically interaction potentials and low energy collisions between different alkali atoms and alkali ions. Specifically, we consider systems like X + Y$^{+}$, where X(Y$^{+})$ is either Li(Cs$^+$) or Cs((Li$^+$), Na(Cs$^+$) or Cs(Na$^+$) and Li(Rb$^+$) or Rb(Li$^+$). We calculate the molecular potentials of the ground and first two excited states of these three systems using pseudopotential method and compare our results with those obtained by others. We calculate ground-state scattering wave functions and cross sections of these systems for a wide range of energies. We find that, in order to get convergent results for the total scattering cross sections for energies of the order $1$ K, one needs to take into account at least 60 partial waves. In the low energy limit ($< 1 \\mu$K), elastic scattering cross sections exhibit Wigner law threshold behavior while in the high energy limit the cross sections go as $E^{-1/3}$. We discuss qualitatively the possibilities of forming cold molecular ion by ...

  19. Incorporating the nuclear vibrational energies into the -atom in molecules- analysis: An analytical study

    CERN Document Server

    Gharabaghi, Masumeh

    2016-01-01

    The orthodox quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and working solely with the electronic wavefunctions, so unable to include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e. those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction the quantum nuclei may be conceived pseudo-adiabatically as qua...

  20. 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.

  1. Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions.

    Science.gov (United States)

    West, Aaron C; Schmidt, Michael W; Gordon, Mark S; Ruedenberg, Klaus

    2017-02-09

    A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the juxtaposed nonbonded quasi-atoms and a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions, and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. The theoretical formulation of the resolution is quantitatively validated by an application to the C2 molecule.

  2. Impact of the resource conservation and recovery act on energy facility siting

    Energy Technology Data Exchange (ETDEWEB)

    Tevepaugh, C.W.

    1982-01-01

    The Resource Conservation and Recovery Act (RCRA) of 1976 is a multifaceted approach to the management of both solid and hazardous waste. The focus of this research is on the RCRA mandated proposed regulations for the siting of hazardous waste disposal facilities. This research is an analysis of the interactions among hazardous waste disposal facilities, energy supply technologies and land use issues. This study addresses the impact of RCRA hazardous waste regulations in a descriptive and exploratory manner. A literature and legislative review, interviews and letters of inquiry were synthesized to identify the relationship between RCRA hazardous waste regulations and the siting of selected energy supply technologies. The results of this synthesis were used to determine if and how RCRA influences national land use issues. It was found that the interaction between RCRA and the siting of hazardous waste disposal facilities required by energy supply technologies will impact national land use issues. All energy supply technologies reviewed generate hazardous waste. The siting of industrial functions such as energy supply facilities and hazardous waste disposal facilities will influence future development patterns. The micro-level impacts from the siting of hazardous waste disposal facilities will produce a ripple effect on land use with successive buffer zones developing around the facilities due to the interactive growth of the land use sectors.

  3. Observing Planets and Small Bodies in Sputtered High Energy Atom (SHEA) Fluxes

    Science.gov (United States)

    Milillo, A.; Orsini, S.; Hsieh, K. C.; Baragiola, R.; Fama, M.; Johnson, R.; Mura, A.; Plainaki, Ch.; Sarantos, M.; Cassidy, T. A.; DeAngelis, E; Desai, M.; Goldstein, R.; Lp, W.-H.; Killen, R.; Livi, S.

    2012-01-01

    The evolution of the surfaces of bodies unprotected by either strong magnetic fields or thick atmospheres in the Solar System is caused by various processes, induced by photons, energetic ions and micrometeoroids. Among these processes, the continuous bombardment of the solar wind or energetic magnetospheric ions onto the bodies may significantly affect their surfaces, with implications for their evolution. Ion precipitation produces neutral atom releases into the exosphere through ion sputtering, with velocity distribution extending well above the particle escape limits. We refer to this component of the surface ejecta as sputtered high-energy atoms (SHEA). The use of ion sputtering emission for studying the interaction of exposed bodies (EB) with ion environments is described here. Remote sensing in SHEA in the vicinity of EB can provide mapping of the bodies exposed to ion sputtering action with temporal and mass resolution. This paper speculates on the possibility of performing remote sensing of exposed bodies using SHEA The evolution of the surfaces of bodies unprotected by either strong magnetic fields or thick atmospheres in the Solar System is caused by various processes, induced by photons, energetic ions and micrometeoroids. Among these processes, the continuous bombardment of the solar wind or energetic magnetospheric ions onto the bodies may significantly affect their surfaces, with implications for their evolution. Ion precipitation produces neutral atom releases into the exosphere through ion sputtering, with velocity distribution extending well above the particle escape limits. We refer to this component of the surface ejecta as sputtered high-energy atoms (SHEA). The use of ion sputtering emission for studying the interaction of exposed bodies (EB) with ion environments is described here. Remote sensing in SHEA in the vicinity of EB can provide mapping of the bodies exposed to ion sputtering action with temporal and mass resolution. This paper

  4. 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.

  5. 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.

  6. A new exact quantum mechanical rovibrational kinetic energy operator for penta-atomic systems in internal coordinates

    Institute of Scientific and Technical Information of China (English)

    陈光巨; 李玉学

    1999-01-01

    The concrete molecule-fixed (MF) kinetic energy operator for penta-atomic molecules is expressed in terms of the parameterδ, the matrix element G?, and angular momentum operator (?). The applications of the operator are also discussed. Finally, a general compact form of kinetic energy operator suitable for calculating the rovibrational spectra of polyatomie molecules is presented.

  7. Influence on electron energy loss spectroscopy of the niobium-substituted uranium atom: A density functional theory study

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    We present the electronic structure and electron energy loss spectroscopy (EELS) for uranium, niobium and U3Nb in which uranium is substituted by niobium. Comparing the electronic structures and optical properties for uranium, niobium and U3Nb, we found that when niobium atom replaces uranium atom in the center lattice, density of state (DOS) of U3Nb shifts downward to low energy. Niobium affects DOS forfand d electrons more than that for p and s electrons. U3Nb is similar to uranium for the electronic energy loss spectra.

  8. Precise atomic-scale investigations of material sputtering process by light gas ions in pre-threshold energy region

    CERN Document Server

    Suvorov, A L

    2002-01-01

    Foundation and prospects of the new original technique of the sputtering yield determination of electro-conducting materials and sub-atomic layers on their surface by light gas ions the pre-threshold energy region (from 10 to 500 eV) are considered. The technique allows to identify individual surface vacancies, i.e., to count individual sputtered atoms directly. A short review of the original results obtained by using the developed techniques is given. Data are presented and analyzed concerning energy thresholds of the sputtering onset and energy dependences of sputtering yield in the threshold energy region for beryllium, tungsten, tungsten oxide, alternating tungsten-carbon layers, three carbon materials as well as for sub-atomic carbon layers on surface of certain metals at their bombardment by hydrogen, deuterium and/or helium ions

  9. Collisions of low-energy antiprotons and protons with atoms and molecules

    Energy Technology Data Exchange (ETDEWEB)

    Luehr, Armin

    2010-02-18

    Antiproton (anti p) collisions have evolved to a powerful tool for the testing of dynamic electron correlations in atoms and molecules. While advances in the understanding of anti p collisions with the simplest one- and two-electron atoms, H and He, have been achieved experiment and theory did not agree for low-energy anti p+He collisions (<40 keV), stimulating a vivid theoretical activity. On the other hand, only very few theoretical anti p studies can be found considering molecular as well as other atomic targets, in contrast to proton (p) collisions. This is in particular true for anti p impacts on H{sub 2} despite its fundamental role in representing the simplest two-electron molecule. The obtained results may be useful for the anti p experiments at CERN (e.g., antihydrogen production) and in particular for the facility design of low-energy anti p storage rings (e.g., at FLAIR) where a precise knowledge of the anti p interaction with the dominant residual-gas molecule H{sub 2} is needed. In this work a nonperturbative, time-dependent numerical approach is developed which describes ionization and excitation of atoms or molecules by either anti p or p impact based on the impact-parameter method. A spectral close-coupling method is employed for solving the time-dependent Schroedinger equation in which the scattering wave function is expanded in (effective) one- or two-electron eigenstates of the target. This includes for the first time a full two-electron, two-center description of the H{sub 2} molecule in anti p collisions. The radial part of the one-electron eigenstates is expanded in B splines while the two-electron basis is obtained with a configurationinteraction approach. Calculations are performed for anti p collisions with H, H{sub 2}{sup +}, and H{sub 2} as well as with He and alkali-metal atoms Li, Na, K, and Rb. Additionally, data are obtained for p collisions with H{sub 2}, Li, Na, and K. The developed method is tested and validated by detailed

  10. H.R. 2605: Energy and Water Development Appropriations Act, 2000

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-07-01

    Appropriations are made for the following purposes: (1) Corps of Engineers for general investigations, construction, flood control, operation and maintenance, regulatory program, general expenses, revolving fund, and administrative provision; (2) Dept. of the Interior for the central Utah project, Bureau of Reclamation, water and related resources, Central Valley project restoration fund, California Bay-Delta restoration, and administrative provisions; (3) Dept. of Energy for energy supply, non-defense environmental management, uranium enrichment decontamination and decommissioning fund, science, nuclear waste disposal, and departmental administration; (4) Atomic Energy Defense activities for weapon activities, defense environmental restoration and waste management, defense environmental management privatization, and defense nuclear waste disposal; (5) Power marketing administrations for Bonneville Power Administration fund, operation and maintenance of the Southeastern Power Administration, the Southwestern Power Administration, the Western Area Power Administration, Falcon and Amistad operating and maintenance fund, and salaries and expenses for FERC; (6) Independent agencies including Appalachian Regional Commission, Denali Commission, Defense Nuclear Facilities Safety Board, Nuclear Regulatory Commission, Office of Inspector General, Nuclear Waste Technical Review Board, and the Tennessee Valley Authority fund. Certain appropriations are also rescinded.

  11. 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

  12. 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.)

  13. A terrestrial search for dark contents of the vacuum, such as dark energy, using atom interferometry

    CERN Document Server

    Adler, Ronald J; Perl, Martin L

    2011-01-01

    We describe the theory and first experimental work on our concept for searching on earth for the presence of dark content of the vacuum (DCV) using atom interferometry. Specifically, we have in mind any DCV that has not yet been detected on a laboratory scale, but might manifest itself as dark energy on the cosmological scale. The experimental method uses two atom interferometers to cancel the effect of earth's gravity and diverse noise sources. It depends upon two assumptions: first, that the DCV possesses some space inhomogeneity in density, and second that it exerts a sufficiently strong non-gravitational force on matter. The motion of the apparatus through the DCV should then lead to an irregular variation in the detected matter-wave phase shift. We discuss the nature of this signal and note the problem of distinguishing it from instrumental noise. We also discuss the relation of our experiment to what might be learned by studying the noise in gravitational wave detectors such as LIGO.The paper concludes ...

  14. 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 ...

  15. Lyman- photodissociation of CH3CFCl2 (HCFC-141b): Quantum yield and translational energy of hydrogen atoms

    Indian Academy of Sciences (India)

    Almuth Laeuter; Hans-Robert Volpp; Jai P Mittal; Rajesh K Vatsa

    2007-07-01

    The collision-free, room temperature gas-phase photodissociation dynamics of CH3CFCl2 (HCFC-141b) was studied using Lyman- laser radiation (121.6 nm) by the laser photolysis/laserinduced fluorescence `pump/probe’ technique. Lyman- radiation was used both to photodissociate the parent molecule and to detect the nascent H atom products via (22P → 12S) laser-induced fluorescence. Absolute H atom quantum yield, H = (0.39 ± 0.09) was determined by calibration method in which CH4 photolysis at 121.6 nm was used as a reference source of well-defined H atom concentrations. The line shapes of the measured H atom Doppler profiles indicate a Gaussian velocity distribution suggesting the presence of indirect H atom formation pathways in the Lyman- photodissociation of CH3CFCl2. The average kinetic energy of H atoms calculated from Doppler profiles was found to be T(lab) = (50 ± 3) kJ/mol. The nearly statistical translational energy together with the observed Maxwell-Boltzmann velocity distribution indicates that for CH3CFCl2 the H atom forming dissociation process comes closer to the statistical limit.

  16. Intergovernmental relations inherent in the Energy Management Partnership Act: a workshop on information requirements

    Energy Technology Data Exchange (ETDEWEB)

    Hoop, W.J.; Edelson, E.

    1980-02-01

    This paper summarizes the results of the first of three workshops that were planned to assess the information needed by the Office of Conservation and Solar Energy (CS) to effectively evaluate the pending Energy Management Partnership Act (EMPA); the workshop concentrated on issues of the EMPA hierarchical partnership. The approach utilized offers two major benefits to CS. First, by considering the problem of program evaluation while EMPA is still in the planning stage, this study identifies any baseline information that should be collected prior to implementation of EMPA, and also provides CS with the opportunity to include evaluation considerations in the operating guidelines for the program. Second, by identifying the potential problems and benefits inherent in EMPA and then identifying the information necessary to evaluate these problems and benefits, information requirements tied to the reasons for needing that information are generated, rather than a long unrelated laundry list of information requirements. Drafting of EMPA is not yet complete. When the term EMPA is used here, it refers to a set of bills that are presently being melded together. The original EMPA bill, which originated in DOE, was designed to expand the role of state and local governments in achieving national energy goals. Specifically, EMPA would provide a total of $110 million annually to state and local governments over a five year period to (1) develop an overall state energy plan, (2) consolidate three existing federal energy grant programs, (3) allow the secretary to fund directly innovative projects at the local level, and (4) provide additional assistance to states to cover the administrative costs of existing energy programs. Other bills, which may be passed in conjuncttion with EMPA or incorporated into EMPA, place additional emphasis on the local level by allocating as much as $400 million annually to local governments.

  17. Molecular Dynamics Study on Interfacial Energy and Atomic Structure of Ag/Ni and Cu/Ni Heterophase System

    Institute of Scientific and Technical Information of China (English)

    Haijiang LIU; Shaoqing WANG; An DU; Caibei ZHANG

    2004-01-01

    The results of molecular dynamics calculations on the interfacial energies and atomic structures of Ag/Ni and Cu/Ni interaces are presented. Calculation on Ag/Ni interfaces with low-index planes shows that those containing the (111) plane have the lowest energies, which is in agreement with the experiments. Comparing surface energy with interracial energy, it is found the order of the interfacial energies of Ag/Ni and Cu/Ni containing the planes fall in the same order as solid-vapor surface energies of Ag, Cu and Ni. In this MD simulation, the relaxed atomic structure and dislocation network of (110)Ag||(110)Ni interface are coincident to HREM observations.

  18. Latitude, Energy, and Time Variations of Energetic Neutral Atom Spectral indices Measured by IBEX

    Science.gov (United States)

    Desai, Mihir; Heerikhuisen, Jacob; McComas, David; Funsten, Herbert; Pogorelov, Nikolai; Zank, Gary; Schwadron, Nathan; Fuselier, Stephen; Allegrini, Frederic; Dayeh, Maher A.

    2016-07-01

    We investigate the latitude, energy, and time variations of the globally distributed 0.5-6 keV energetic neutral atom (ENA) spectra measured by the Interstellar Boundary Explorer (IBEX) during the first 5 years of the mission. Our previous results based on the first 3 years of IBEX observations showed that the ENA spectral indices at the two lowest energies (0.89 and 1.47 keV) exhibit no clear trend with ecliptic latitude θ, while those at ˜2.29 and ˜3.41 keV exhibit a clear latitudinal pattern; flatter spectra occur above 60° latitude and steeper spectra occur within ±30° of the equator. While these results confirmed the previously reported latitudinal organization of the ENA spectra and their remarkable similarity to that of the solar wind (SW) speed observed by Ulysses in the inner heliosphere, we also showed that, unlike previous reports, the ˜0.5-6 keV globally distributed ENA spectral indices could not be represented as single power laws over much of the sky, and that they depend on energy and latitude. In this paper we extend the above results to include years 4 and 5 of IBEX observations and investigate if the spectral indices vary as a function of time. Finally, we discuss implications of our results on models and simulations that seek to map the IBEX ENA observations back to the latitudinal profile of the SW speed structure observed in the inner heliosphere.

  19. Testing the validity of the International Atomic Energy Agency (IAEA) safety culture model.

    Science.gov (United States)

    López de Castro, Borja; Gracia, Francisco J; Peiró, José M; Pietrantoni, Luca; Hernández, Ana

    2013-11-01

    This paper takes the first steps to empirically validate the widely used model of safety culture of the International Atomic Energy Agency (IAEA), composed of five dimensions, further specified by 37 attributes. To do so, three independent and complementary studies are presented. First, 290 students serve to collect evidence about the face validity of the model. Second, 48 experts in organizational behavior judge its content validity. And third, 468 workers in a Spanish nuclear power plant help to reveal how closely the theoretical five-dimensional model can be replicated. Our findings suggest that several attributes of the model may not be related to their corresponding dimensions. According to our results, a one-dimensional structure fits the data better than the five dimensions proposed by the IAEA. Moreover, the IAEA model, as it stands, seems to have rather moderate content validity and low face validity. Practical implications for researchers and practitioners are included.

  20. Solid Hydrogen Experiments for Atomic Propellants: Particle Formation Energy and Imaging Analyses

    Science.gov (United States)

    Palaszewski, Bryan

    2002-01-01

    This paper presents particle formation energy balances and detailed analyses of the images from experiments that were conducted on the formation of solid hydrogen particles in liquid helium during the Phase II testing in 2001. Solid particles of hydrogen were frozen in liquid helium and observed with a video camera. The solid hydrogen particle sizes and the total mass of hydrogen particles were estimated. The particle formation efficiency is also estimated. Particle sizes from the Phase I testing in 1999 and the Phase II testing in 2001 were similar. Though the 2001 testing created similar particles sizes, many new particle formation phenomena were observed. These experiment image analyses are one of the first steps toward visually characterizing these particles and it allows designers to understand what issues must be addressed in atomic propellant feed system designs for future aerospace vehicles.

  1. Scaled-Down Moderator Circulation Test Facility at Korea Atomic Energy Research Institute

    Directory of Open Access Journals (Sweden)

    Hyoung Tae Kim

    2016-01-01

    Full Text Available 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 scaling analysis performed to extend the scaling criteria suitable for reproducing thermal-hydraulic phenomena in a scaled-down CANDU- (CANada Deuterium Uranium- 6 moderator tank, a manufacturing status of the 1/4 scale moderator tank. Also, preliminary CFD analysis results for the full-size and scaled-down moderator tanks are carried out to check whether the moderator flow and temperature patterns of both the full-size reactor and scaled-down facility are identical.

  2. Cell Evolutionary Algorithm: a New Optimization Method on Ground-State Energy of the Atomic

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The purpose of this paper is to present a new general approach to solve ground-state energies of the double-electron systems in a uniform magnetic field, in which the basic element of evolution is the set in the solution space, rather than the point. The paper defines the Cell Evolutionary Algorithm, which imple-ments such a view of the evolution mechanism. First, the optimal set in which the optimal solution may be ob-tained. Then this approach applies the embedded search method to get the optimal solution. We tested this approach on the atomic structure, and the results show that it can improve not only the efficiency but also the accuracy of the calculations as it relates to this specific problem.

  3. Disposal of radioactive wastes arising in the United Kingdom from the peaceful uses of atomic energy

    CERN Document Server

    Bryant, P M

    1971-01-01

    This paper describes United Kingdom policy in relation to radioactive waste and summarises the relevant legislation ad methods of control. Data are given on the amounts of radioactivity discharged as waste from establishments of the United Kingdom Atomic Energy Authority, the nuclear power stations operated by the Electricity Generating Boards and other users of radioactive materials. Studies of the behaviour of radioactivity in the environment are reported with particular reference to food chains and other potential sources of irradiation of the public. The results of environmental monitoring are presented and estimates are made of radiation doses received by individual members of the public and larger population groups as a result of waste disposal. It is concluded that the doses received are all within the appropriate limits recommended by the International Commission on Radiological Protection, and in most cases are trivial.

  4. Negotiating supranational rules - The genesis of the International Atomic Energy Agency Safeguards System

    Energy Technology Data Exchange (ETDEWEB)

    Forland, Astrid

    1998-12-31

    The object of this thesis is the evolution from 1954-56 up until the mid 1970s of the nuclear safeguards system administered by the International Atomic Energy Agency (IAEA) in Vienna. The evolution is traced not through the practical implementation of the safeguards system, but through the various multilateral negotiations through which it was created. The focus is on analysing the arguments advanced in the various negotiations, and the main objective is to single out the factors determining the result. The discussion is organised into the following chapters: (1) The statute of the IAEA, (2) The IAEA 1961 safeguard document (INFCIRC/26), (3) The IAEA 1965 safeguards document (INFCIRC/66), (4) The non-proliferation treaty, (5) NPT safeguards. 92 refs.

  5. 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.

  6. Determining Nuclear Fingerprints: Glove Boxes, Radiation Protection, and the International Atomic Energy Agency.

    Science.gov (United States)

    Rentetzi, Maria

    2017-03-15

    In a nuclear laboratory, a glove box is a windowed, sealed container equipped with two flexible gloves that allow the user to manipulate nuclear materials from the outside in an ostensibly safe environment. As a routine laboratory device, it invites neglect from historians and storytellers of science. Yet, since especially the Gulf War, glove boxes have put the interdependence of science, diplomacy, and politics into clear relief. Standing at the intersection of history of science and international history, technological materials and devices such as the glove box can provide penetrating insight into the role of international diplomatic organizations to the global circulation and control of scientific knowledge. The focus here is on the International Atomic Energy Agency.

  7. Energy of the Isolated Metastable Iron-Nickel FCC Nanocluster with a Carbon Atom in the Tetragonal Interstice.

    Science.gov (United States)

    Bondarenko, Natalya V; Nedolya, Anatoliy V

    2017-12-01

    The energy of the isolated iron-nickel nanocluster was calculated by molecular mechanics method using Lennard-Jones potential. The cluster included a carbon atom that drifted from an inside octahedral interstice to a tetrahedral interstice in [Formula: see text] direction and after that in direction to the surface. In addition, one of 14 iron atoms was replaced by a nickel atom, the position of which was changing during simulation.The energy of the nanocluster was estimated at the different interatomic distances. As a result of simulation, the optimal interatomic distances of Fe-Ni-C nanocluster was chosen for the simulation, in which height of the potential barrier was maximal and face-centered cubic (FCC) nanocluster was the most stable.It is shown that there were three main positions of a nickel atom that significantly affected nanocluster's energy.The calculation results indicated that position of the carbon atom in the octahedral interstice was more energetically favorable than tetrahedral interstice in the case of FCC nanocluster. On the other side, the potential barrier was smaller in the direction [Formula: see text] than in the direction .This indicates that there are two ways for carbon atom to drift to the surface of the nanocluster.

  8. Elemental mapping in achromatic atomic-resolution energy-filtered transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Forbes, B.D. [School of Physics, University of Melbourne, Parkville, VIC 3010 (Australia); Houben, L. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Gruenberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Mayer, J. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Gruenberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Central Facility for Electron Microscopy, RWTH Aachen University, D-52074 Aachen (Germany); Dunin-Borkowski, R.E. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Gruenberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Allen, L.J., E-mail: lja@unimelb.edu.au [School of Physics, University of Melbourne, Parkville, VIC 3010 (Australia)

    2014-12-15

    We present atomic-resolution energy-filtered transmission electron microscopy (EFTEM) images obtained with the chromatic-aberration-corrected FEI Titan PICO at the Ernst-Ruska Centre, Jülich, Germany. We find qualitative agreement between experiment and simulation for the background-subtracted EFTEM images of the Ti–L{sub 2,3} and O–K edges for a specimen of SrTiO{sub 3} oriented down the [110] zone axis. The simulations utilize the transition potential formulation for inelastic scattering, which permits a detailed investigation of contributions to the EFTEM image. We find that energy-filtered images of the Ti–L{sub 2,3} and O–K edges are lattice images and that the background-subtracted core-loss maps may not be directly interpretable as elemental maps. Simulations show that this is a result of preservation of elastic contrast, whereby the qualitative details of the image are determined primarily by elastic, coherent scattering. We show that this effect places a constraint on the range of specimen thicknesses which could theoretically yield directly useful elemental maps. In general, interpretation of EFTEM images is ideally accompanied by detailed simulations. - Highlights: • Achromatic atomic-resolution EFTEM images were obtained for STO 〈110〉. • Simulations were in qualitative agreement with Ti–L{sub 2,3} and O–K edge maps. • The experimental EFTEM maps are not directly interpretable as elemental maps. • Image intensities are strongly determined by preservation of elastic contrast. • Interpretation of EFTEM images is ideally accompanied by detailed simulations.

  9. Implementation of dose management system at radiation protection board of Ghana Atomic Energy Commission.

    Science.gov (United States)

    Hasford, F; Amoako, J K; Darko, E O; Emi-Reynolds, G; Sosu, E K; Otoo, F; Asiedu, G O

    2012-01-01

    The dose management system (DMS) is a computer software developed by the International Atomic Energy Agency for managing data on occupational exposure to radiation sources and intake of radionuclides. It is an integrated system for the user-friendly storage, processing and control of all existing internal and external dosimetry data. The Radiation Protection Board (RPB) of the Ghana Atomic Energy Commission has installed, customised, tested and using the DMS as a comprehensive DMS to improve personnel and area monitoring in the country. Personnel dose records from the RPBs database from 2000 to 2009 are grouped into medical, industrial and education/research sectors. The medical sector dominated the list of monitored institutions in the country over the 10-y period representing ∼87 %, while the industrial and education/research sectors represent ∼9 and ∼4 %, respectively. The number of monitored personnel in the same period follows a similar trend with medical, industrial and education/research sectors representing ∼74, ∼17 and ∼9 %, respectively. Analysis of dose data for 2009 showed that there was no instance of a dose above the annual dose limit of 20 mSv, however, 2.7 % of the exposed workers received individual annual doses >1 mSv. The highest recorded individual annual dose and total collective dose in all sectors were 4.73 mSv and 159.84 man Sv, respectively. Workers in the medical sector received higher individual doses than in the other two sectors, and average dose per exposed worker in all sectors is 0.25 mSv.

  10. Charge-transfer energy in closed-shell ion-atom interactions. [for H and Li ions in He

    Science.gov (United States)

    Alvarez-Rizzatti, M.; Mason, E. A.

    1975-01-01

    The importance of charge-transfer energy in the interactions between closed-shell ions and atoms is investigated. Ab initio calculations on H(plus)-He and Li(plus)-He are used as a guide for the construction of approximate methods for the estimation of the charge-transfer energy for more complicated systems. For many alkali ion-rate gas systems the charge-transfer energy is comparable to the induction energy in the region of the potential minimum, although for doubly charged alkaline-earth ions in rare gases the induction energy always dominates. Surprisingly, an empirical combination of repulsion energy plus asymptotic induction energy plus asymptotic dispersion energy seems to give a fair representation of the total interaction, especially if the repulsion energy is parameterized, despite the omission of any explicit charge-transfer contribution. More refined interaction models should consider the charge-transfer energy contribution.

  11. Ultrafast triggered transient energy storage by atomic layer deposition into porous silicon for integrated transient electronics

    Science.gov (United States)

    Douglas, Anna; Muralidharan, Nitin; Carter, Rachel; Share, Keith; Pint, Cary L.

    2016-03-01

    Here we demonstrate the first on-chip silicon-integrated rechargeable transient power source based on atomic layer deposition (ALD) coating of vanadium oxide (VOx) into porous silicon. A stable specific capacitance above 20 F g-1 is achieved until the device is triggered with alkaline solutions. Due to the rational design of the active VOx coating enabled by ALD, transience occurs through a rapid disabling step that occurs within seconds, followed by full dissolution of all active materials within 30 minutes of the initial trigger. This work demonstrates how engineered materials for energy storage can provide a basis for next-generation transient systems and highlights porous silicon as a versatile scaffold to integrate transient energy storage into transient electronics.Here we demonstrate the first on-chip silicon-integrated rechargeable transient power source based on atomic layer deposition (ALD) coating of vanadium oxide (VOx) into porous silicon. A stable specific capacitance above 20 F g-1 is achieved until the device is triggered with alkaline solutions. Due to the rational design of the active VOx coating enabled by ALD, transience occurs through a rapid disabling step that occurs within seconds, followed by full dissolution of all active materials within 30 minutes of the initial trigger. This work demonstrates how engineered materials for energy storage can provide a basis for next-generation transient systems and highlights porous silicon as a versatile scaffold to integrate transient energy storage into transient electronics. Electronic supplementary information (ESI) available: (i) Experimental details for ALD and material fabrication, ellipsometry film thickness, preparation of gel electrolyte and separator, details for electrochemical measurements, HRTEM image of VOx coated porous silicon, Raman spectroscopy for VOx as-deposited as well as annealed in air for 1 hour at 450 °C, SEM and transient behavior dissolution tests of uniformly coated VOx on

  12. Quality assurance and quality control programme in the Personal Dosimetry Department of the Greek Atomic Energy Commission.

    Science.gov (United States)

    Kamenopoulou, V; Drikos, G; Carinou, E; Papadomarkaki, E; Askounis, P; Kyrgiakou, H; Kefalonitis, N

    2002-01-01

    A quality assurance (QA) and quality control (QC) programme was applied to the personal monitoring department (TLD based) of the Greek Atomic Energy Commission (GAEC). This programme was designed according to the recommendations of international bodies such as the International Organization for Standardization (ISO), the International Electrotechnical Commission (IEC), the International Atomic Energy Agency (IAEA) and the European Commission (CEC). This paper deals with the presentation of the QA/QC programme which includes administrative data and information, technical checking of the equipment, acceptance tests of new equipment and dosemeters, issuing and processing of the dosemeters, dose evaluation, record keeping and reporting, traceability and reproducibility, handling of complaints, internal reviews and external audits.

  13. Fully differential cross sections for low to intermediate energy perpendicular plane ionization of xenon atoms

    Energy Technology Data Exchange (ETDEWEB)

    Purohit, G., E-mail: ghanshyam.purohit@spsu.ac.in; Singh, P.; Patidar, V.

    2014-12-15

    Highlights: • We present triply differential cross section (TDCS) results for the perpendicular plane ionization of xenon atoms. • The TDCS has been calculated in the modified distorted wave Born approximation formalism. • The effects of target polarization and post collision interaction have also been included. • The polarization potential, higher order effects and PCI has been found to be useful in the description of TDCS. - Abstract: Triple differential cross section (TDCS) results are reported for the perpendicular plane ionization of Xe (5p) at incident electron energies 5 eV, 10 eV, 20 eV, and 40 eV above ionization potential. The modified distorted wave Born approximation formalism with first as well as the second order Born terms has been used to calculate the TDCS. Effects of target polarization and post collision interaction have also been included. We compare the (e, 2e) TDCS results of our calculation with the recent available experimental data and theoretical results and discuss the process contributing to structure seen in the differential cross section. It has been observed from the present study that the second order effect and target polarization make significant contribution in description of collision dynamics of xenon at the low and intermediate energy for the perpendicular emission of electrons.

  14. Survival probability and energy modification of hydrogen Energetic Neutral Atoms on their way from the termination shock to Earth orbit

    CERN Document Server

    Bzowski, M

    2008-01-01

    Contect: With the forthcoming launch of a NASA SMEX mission IBEX devoted to imaging of heliospheric interface by in-situ detection of Energetic Neutral Atoms (ENA) an important issue becomes recognizing of transport of these atoms from the termination shock of the solar wind to Earth orbit. Aims: Investigate modifications of energy and of survival probability of the H ENA detectable by IBEX (0.01 -- 6 keV) between the termination shock and Earth orbit taking into account the influence of the variable and anisotropic solar wind and solar EUV radiation. Methods: Energy change of the atoms is calculated by numerical simulations of orbits of the H ENA atoms from ~100 AU from the Sun down to Earth orbit, taking into account solar gravity and Lyman-$\\alpha$ radiation pressure, which is variable in time and depends on radial velocity of the atom. To calculate survival probabilities of the atoms against onization, a detailed 3D and time-dependent model of H ENA ionization based on observations of the solar wind and E...

  15. 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.

  16. Determination of deposited flux and energy of sputtered tungsten atoms on every stages of transport in HiPIMS discharge

    Science.gov (United States)

    Desecures, M.; de Poucques, L.; Bougdira, J.

    2017-02-01

    A time-resolved tunable diode-laser (DL) induced fluorescence (TR-TDLIF) technique has been used to identify different populations of atoms (on different stages of transport) to determine their corresponding deposited energy and flux. The temporal dimension permits the splitting of the processes of sputtering during the discharge and particles transport in the post-discharge where atoms and flux velocity distribution functions (AVDF, FVDF) of each population were measured varying the discharge parameters (power, voltage, pressure, and distance from target). Tungsten (W) was chosen, being an interesting case in terms of sputtered atom transport, considering its weight which implies weak changes of directivity or energy transfer after collisions with the buffer gas. The high temporal and spectral resolutions of TR-TDLIF are the keys for the distinction of the atoms populations and the stage corresponding to the transition from the ballistic to diffusive regime of transport was observed for the first time and named quasi-diffusive regime. Thus, the ability to dissociate populations of atoms and to determine their deposited flux and energy may be of great interest to adjust film properties as desired for applications.

  17. Analysis of H atoms in a negative ion source plasma with the non-equilibrium electron energy distribution function.

    Science.gov (United States)

    Koga, S; Shibata, T; Terasaki, R; Kameyama, N; Hatayama, A; Bacal, M; Tsumori, K

    2012-02-01

    In negative ion sources for the neutral beam injection, it is important to calculate H atom flux onto the plasma grid (PG) surface for the evaluation of H(-) production on the PG surface. We have developed a neutral (H(2) molecules and H atoms) transport code. In the present study, the neutral transport code is applied to the analysis of the H(2) and H transport in a NIFS-R&D ion source in order to calculate the flux onto the PG surface. Taking into account non-equilibrium feature of the electron energy distribution function (EEDF), i.e., the fast electron component, we have done the neutral transport simulation. The results suggest that the precise evaluation of the EEDF, especially in the energy range 15 eV < E < 30 eV is important for the dissociation rate of H(2) molecules by the electron impact collision and the resultant H atom flux on the PG.

  18. 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.

  19. Using Concept Maps as Instructional Materials to Foster the Understanding of the Atomic Model and Matter-Energy Interaction

    Science.gov (United States)

    Aguiar, Joana G.; Correia, Paulo R. M.

    2016-01-01

    In this paper, we explore the use of concept maps (Cmaps) as instructional materials prepared by teachers, to foster the understanding of chemistry. We choose fireworks as a macroscopic event to teach basic chemical principles related to the Bohr atomic model and matter-energy interaction. During teachers' Cmap navigation, students can experience…

  20. Scaled-energy spectroscopy of helium vertical bar M vertical bar=1 Rydberg atoms in a static electric field

    NARCIS (Netherlands)

    Kips, A.; Vassen, W.; Hogervorst, W.; Dando, P.A.

    1998-01-01

    We present scaled-energy spectra on helium Rydberg atoms in a static electric field. /M/ = 1 states were studied in excitation from the 2 S-1(0) metastable state. Spectra were recorded for epsilon = -2.940(4), epsilon = -2.350(4), both below the saddle point, and epsilon = -1.760(4), above the saddl

  1. 77 FR 27113 - Export and Import of Nuclear Equipment and Material; Export of International Atomic Energy Agency...

    Science.gov (United States)

    2012-05-09

    ... / Wednesday, May 9, 2012 / Rules and Regulations#0;#0; ] NUCLEAR REGULATORY COMMISSION 10 CFR Part 110 RIN 3150-AJ04 Export and Import of Nuclear Equipment and Material; Export of International Atomic Energy Agency Safeguards Samples AGENCY: Nuclear Regulatory Commission. ACTION: Final rule. SUMMARY: The...

  2. Absolute measurement of the effective atomic number and the electron density by using dual-energy CT images

    Science.gov (United States)

    Kim, Dae-Hong; Lee, Won-Hyung; Jeon, Sung-Soo; Kim, Hee-Joung

    2012-12-01

    Material decomposition using dual-energy and material-selective techniques was performed using computed-tomography (CT)-generated reconstructed images. Previous work using the dual-energy method focused on extracting the effective atomic number and the electron density of materials to confirm the dosimetric accuracy in radiation therapy. Dual-energy methods mostly depend on the device generating the X-rays, such as a synchrotron, and on dose verification for radiation treatment planning. Information obtained from CT imaging is important both in diagnosis and in planning radiation therapy. In a clinical setting, CT images are usually displayed as Houndsfield units (HU), which are extracted from the attenuation coefficient of a material. The attenuation coefficient is calculated using the effective atomic number and the electron density of a material; thus, information expressed in HU can be converted into the effective atomic number and the electron density by using the dual-energy equation. This study was performed using realistic Xray spectra to differentiate between the contrast media and plaque in vascular images. Our results suggest that the effective atomic number and electron density are useful in distinguishing between two adjacent materials with similar HUs.

  3. 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).

  4. Watching the dynamics of electrons and atoms at work in solar energy conversion

    Energy Technology Data Exchange (ETDEWEB)

    Canton, S. E.; Zhang, X.; Liu, Y.; Zhang, J.; Pápai, M.; Corani, A.; Smeigh, A. L.; Smolentsev, G.; Attenkofer, K.; Jennings, G.; Kurtz, C. A.; Li, F.; Harlang, T.; Vithanage, D.; Chabera, P.; Bordage, A.; Sun, L.; Ott, S.; Wärnmark, K.; Sundström, V.

    2015-07-06

    The photochemical reactions performed by transition metal complexes have been proposed as viable routes towards solar energy conversion and storage into other forms that can be conveniently used in our everyday applications. In order to develop efficient materials, it is necessary to identify, characterize and optimize the elementary steps of the entire process on the atomic scale. To this end, we have studied the photoinduced electronic and structural dynamics in two heterobimetallic ruthenium–cobalt dyads, which belong to the large family of donor–bridge–acceptor systems. Using a combination of ultrafast optical and X-ray absorption spectroscopies, we can clock the light-driven electron transfer processes with element and spin sensitivity. In addition, the changes in local structure around the two metal centers are monitored. These experiments show that the nature of the connecting bridge is decisive for controlling the forward and the backward electron transfer rates, a result supported by quantum chemistry calculations. More generally, this work illustrates how ultrafast optical and X-ray techniques can disentangle the influence of spin, electronic and nuclear factors on the intramolecular electron transfer process. Finally, some implications for further improving the design of bridged sensitizer-catalysts utilizing the presented methodology are outlined.

  5. Cooperation between the US and the USSR in the peaceful uses of atomic energy

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, G.T.

    1989-10-01

    The decade of the 1960's saw a marked expansion of cooperation between the United States and the Soviet Union for the peaceful uses of atomic energy. In my opinion, this development constituted one of the most encouraging elements in the international scene. Until 1955 contacts between American and Soviet nuclear scientists were virtually nonexistent, as indeed (after World War II) were US-USSR contacts in other fields except as required in formal intergovernmental relations. Then, in July 1955, the discussions of the Heads of Government meeting in Geneva led to the declaration of a policy with the following aims: to lower the barriers which now impede the interchange of information and ideas between our peoples; to lower the barriers which now impede the opportunities of people to travel anywhere in the world for peaceful, friendly purposes, so that all will have a chance to know each other face to face; and to create conditions which will encourage nations to increase the exchange of peaceful goods throughout the world. 8 figs.

  6. The Russian Federation's Ministry of Atomic Energy: Programs and Developments

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Craig M.

    2000-07-24

    The Ministry of Atomic Energy of the Russian Federation (Minatom) is one of Russia's largest and most influential federal bodies. Throughout 1999 its head, Yevgeny Adamov, has worked to increase the Ministry's commercial competitiveness by consolidating redundant facilities and tightening control over subsidiary organizations. Economic difficulties and budget constraints, however, have hindered Minatom's ability to achieve many of its programs and goals. As a result, the Ministry has continued, renewed or initiated contracts with several countries possessing questionable commitments to nonproliferation and has sought to expand its role in international nuclear waste management and spent fuel reprocessing in order to raise new sources of revenue. While many of these programs are not likely to come to fruition, others raise significant nonproliferation and environmental concerns. This paper reviews select programs driving Minatom's efforts to raise funds, comments on their potential viability, and highlights areas likely to be of particular concern for the United States over the next three to five years.

  7. Cross sections for medium energy He ions scattered from Hf and Au atoms

    Energy Technology Data Exchange (ETDEWEB)

    Nishimura, Tomoaki, E-mail: t-nishi@hosei.ac.jp [Research Center of Ion Beam Technology and College of Engineering, Hosei University, Koganei, Tokyo 184-8584 (Japan); Mitsuhara, Kei; Visikovskiy, Anton; Kido, Yoshiaki [Department of Physics, Ritsumeikan University, Kusatsu, Shiga-ken 525-8577 (Japan)

    2012-06-01

    The elastic scattering cross sections for medium energy He ions incident on Ni, Hf and Au atoms were measured precisely using a toroidal electrostatic analyzer. We prepared the targets of Ni({approx}1 nm)/HfO{sub 2}(1.5 nm)/Si(0 0 1) and Ni({approx}1 nm)/Au({approx}0.5 nm)/Si(1 1 1) and performed in situ ion scattering measurement under ultrahigh vacuum condition. The absolute amounts of Ni, Hf and Au were determined by Rutherford backscattering using 1.5 MeV He ions at a scattering angle of 150 Degree-Sign . The scattering cross sections for Hf and Au were normalized by those for Ni to avoid the ambiguities of the number of incident particles, solid angle subtended by a detector, detection efficiency and the He{sup +} fractions for the emerging He ions from the surfaces. The results obtained are compared with the simple Lee-Hart formula and the calculated values using the Moliere and ZBL potentials and the potentials derived from the Hartree-Fock-Slater wave functions.

  8. Negotiating supranational rules. The genesis of the International Atomic Energy Agency safeguards system

    Energy Technology Data Exchange (ETDEWEB)

    Forland, A.

    1997-12-31

    The object of this study is the evolution from 1954-56 up until the mid-1970s of the nuclear safeguards system administered by the International Atomic Energy Agency (IAEA) in Vienna. The main aim of the study is not to describe the IAEA safeguards system as such. The focus will be on analysing the arguments advanced in the various negotiations, and the main objective will be to single out the factors determining the result. In the course of the time span under study two international treaties were negotiated which were decisive for the development of international nuclear safeguards. These were the IAEA Stature (1956) and the Non-Proliferation Treaty (1968). The Statue as well as the NPT contain articles on international nuclear safeguards. These articles limit themselves to spelling out the safeguards principles. It was thus left to the IAEA Board of Governors to develop the safeguards procedures in detail. Two IAEA safeguards documents were negotiated between 1959 and 1965 in order to implement the safeguards article of the Statue. The safeguards requirements of the NPT were spelled out in a new model agreement in 1972. 58 refs.

  9. Towards Establishing Capacity for Biological Dosimetry at Ghana Atomic Energy Commission

    Science.gov (United States)

    Achel, Daniel Gyingiri; Achoribo, Elom; Agbenyegah, Sandra; Adaboro, Rudolph M.; Donkor, Shadrack; Adu-Bobi, Nana A. K.; Agyekum, Akwasi A.; Akuamoa, Felicia; Tagoe, Samuel N.; Kyei, Kofi A.; Yarney, Joel; Serafin, Antonio; Akudugu, John M.

    2016-01-01

    The aim of this study was not only to obtain basic technical prerequisites for the establishment of capacity of biological dosimetry at the Ghana Atomic Energy Commission (GAEC) but also to stimulate interest in biological dosimetry research in Ghana and Sub-Saharan Africa. Peripheral blood from four healthy donors was exposed to different doses (0–6 Gy) of gamma rays from a radiotherapy machine and lymphocytes were subsequently stimulated, cultured, and processed according to standard protocols for 48–50 h. Processed cells were analyzed for the frequencies of dicentric and centric ring chromosomes. Radiation dose delivered to the experimental model was verified using GafChromic® EBT films in parallel experiments. Basic technical prerequisites for the establishment of capacity of biological dosimetry in the GAEC have been realized and expertise in the dicentric chromosome assay consolidated. We successfully obtained preliminary cytogenetic data for a dose-response relationship of the irradiated blood lymphocytes. The data strongly indicate the existence of significant linear (α) and quadratic (β) components and are consistent with those published for the production of chromosome aberrations in comparable absorbed dose ranges. PMID:28217279

  10. Fermi and Coulomb correlation effects upon the interacting quantum atoms energy partition

    CERN Document Server

    Ruiz, Isela; Holguín-Gallego, Fernando José; Francisco, Evelio; Pendás, Ángel Martín; Rocha-Rinza, Tomás

    2016-01-01

    The Interacting Quantum Atoms (IQA) electronic energy partition is an important method in the field of quantum chemical topology which has given important insights of different systems and processes in physical chemistry. There have been several attempts to include Electron Correlation (EC) in the IQA approach, for example, through DFT and Hartree-Fock/Coupled-Cluster (HF/CC) transition densities. This work addresses the separation of EC in Fermi and Coulomb correlation and its effect upon the IQA analysis by taking into account spin-dependent one- and two-electron matrices $D^{\\mathrm{HF/CC}}_{p\\sigma q \\sigma}$ and $d^{\\mathrm{HF/CC}}_{p\\sigma q\\sigma r\\tau s\\tau}$ wherein $\\sigma$ and $\\tau$ represent either of the $\\alpha$ and $\\beta$ spin projections. We illustrate this approach by considering BeH$_2$,BH, CN$^-$, HF, LiF, NO$^+$, LiH, H$_2$O$\\cdots$H$_2$O and C$_2$H$_2$, which comprise non-polar covalent, polar covalent, ionic and hydrogen bonded systems. The same and different spin contributions to ($i$...

  11. Watching the dynamics of electrons and atoms at work in solar energy conversion.

    Science.gov (United States)

    Canton, S E; Zhang, X; Liu, Y; Zhang, J; Pápai, M; Corani, A; Smeigh, A L; Smolentsev, G; Attenkofer, K; Jennings, G; Kurtz, C A; Li, F; Harlang, T; Vithanage, D; Chabera, P; Bordage, A; Sun, L; Ott, S; Wärnmark, K; Sundström, V

    2015-01-01

    The photochemical reactions performed by transition metal complexes have been proposed as viable routes towards solar energy conversion and storage into other forms that can be conveniently used in our everyday applications. In order to develop efficient materials, it is necessary to identify, characterize and optimize the elementary steps of the entire process on the atomic scale. To this end, we have studied the photoinduced electronic and structural dynamics in two heterobimetallic ruthenium-cobalt dyads, which belong to the large family of donor-bridge-acceptor systems. Using a combination of ultrafast optical and X-ray absorption spectroscopies, we can clock the light-driven electron transfer processes with element and spin sensitivity. In addition, the changes in local structure around the two metal centers are monitored. These experiments show that the nature of the connecting bridge is decisive for controlling the forward and the backward electron transfer rates, a result supported by quantum chemistry calculations. More generally, this work illustrates how ultrafast optical and X-ray techniques can disentangle the influence of spin, electronic and nuclear factors on the intramolecular electron transfer process. Finally, some implications for further improving the design of bridged sensitizer-catalysts utilizing the presented methodology are outlined.

  12. Two-atom energy spectrum in a harmonic trap near a Feshbach resonance at higher partial waves

    Science.gov (United States)

    Suzuki, Akira; Liang, Yi; Bhaduri, Rajat K.

    2009-09-01

    Two atoms in an optical lattice may be made to interact strongly at higher partial waves near a Feshbach resonance. These atoms, under appropriate constraints, could be bosonic or fermionic. The universal l=2 energy spectrum for such a system, with a caveat, is presented in this paper and checked with the spectrum obtained by direct numerical integration of the Schrödinger equation. The results reported here extend those of Yip for p -wave resonance [S.-K. Yip, Phys. Rev. A 78, 013612 (2008)], while exploring the limitations of a universal expression for the spectrum for the higher partial waves.

  13. Survival probability and energy modification of hydrogen Energetic Neutral Atoms on their way from the termination shock to Earth orbit

    OpenAIRE

    Bzowski, M.

    2008-01-01

    Context: With the forthcoming launch of a NASA SMEX mission IBEX devoted to imaging of heliospheric interface by in-situ detection of Energetic Neutral Atoms (ENA) an important issue becomes recognizing of transport of these atoms from the termination shock of the solar wind to Earth orbit. Aims: Investigate modifications of energy and of survival probability of the H ENA detectable by IBEX (0.01 -- 6 keV) between the termination shock and Earth orbit taking into account the influence of the ...

  14. Air toxics provisions of the Clean Air Act: Potential impacts on energy

    Energy Technology Data Exchange (ETDEWEB)

    Hootman, H.A.; Vernet, J.E.

    1991-11-01

    This report provides an overview of the provisions of the Clean Air Act and its Amendments of 1990 that identify hazardous air pollutant (HAP) emissions and addresses their regulation by the US Environmental Protection Agency (EPA). It defines the major energy sector sources of these HAPs that would be affected by the regulations. Attention is focused on regulations that would cover coke oven emissions; chromium emission from industrial cooling towers and the electroplating process; HAP emissions from tank vessels, asbestos-related activities, organic solvent use, and ethylene oxide sterilization; and emissions of air toxics from municipal waste combustors. The possible implications of Title III regulations for the coal, natural gas, petroleum, uranium, and electric utility industries are examined. The report discusses five major databases of HAP emissions: (1) TRI (EPA's Toxic Release Inventory); (2) PISCES (Power Plant Integrated Systems: Chemical Emissions Studies developed by the Electric Power Research Institute); (3) 1985 Emissions Inventory on volatile organic compounds (used for the National Acid Precipitation Assessment Program); (4) Particulate Matter Species Manual (EPA); and (5) Toxics Emission Inventory (National Aeronautics and Space Administration). It also offers information on emission control technologies for municipal waste combustors.

  15. Air toxics provisions of the Clean Air Act: Potential impacts on energy

    Energy Technology Data Exchange (ETDEWEB)

    Hootman, H.A.; Vernet, J.E.

    1991-11-01

    This report provides an overview of the provisions of the Clean Air Act and its Amendments of 1990 that identify hazardous air pollutant (HAP) emissions and addresses their regulation by the US Environmental Protection Agency (EPA). It defines the major energy sector sources of these HAPs that would be affected by the regulations. Attention is focused on regulations that would cover coke oven emissions; chromium emission from industrial cooling towers and the electroplating process; HAP emissions from tank vessels, asbestos-related activities, organic solvent use, and ethylene oxide sterilization; and emissions of air toxics from municipal waste combustors. The possible implications of Title III regulations for the coal, natural gas, petroleum, uranium, and electric utility industries are examined. The report discusses five major databases of HAP emissions: (1) TRI (EPA`s Toxic Release Inventory); (2) PISCES (Power Plant Integrated Systems: Chemical Emissions Studies developed by the Electric Power Research Institute); (3) 1985 Emissions Inventory on volatile organic compounds (used for the National Acid Precipitation Assessment Program); (4) Particulate Matter Species Manual (EPA); and (5) Toxics Emission Inventory (National Aeronautics and Space Administration). It also offers information on emission control technologies for municipal waste combustors.

  16. The bungling giant : Atomic Energy Canada Limited and next-generation nuclear technology, 1980-1994

    Energy Technology Data Exchange (ETDEWEB)

    Slater, I.J

    2003-07-01

    From 1980-1994 Atomic Energy Canada Limited (AECL), the Crown Corporation responsible for the development of nuclear technology in Canada, ventured into the market for small-scale, decentralized power systems with the Slowpoke Energy System (SES), a 10MW nuclear reactor for space heating in urban and remote areas. The SES was designed to be 'passively' or 'inherently' safe, such that even the most catastrophic failure of the system would not result in a serious accident (e.g. a meltdown or an explosion). This Canadian initiative, a beneficiary of the National Energy Program, was the first and by far the most successful attempt at a passively safe, decentralized nuclear power system anywhere in the world. Part one uses archival documentation and interviews with project leaders to reconstruct the history of the SES. The standard explanations for the failure of the project, cheap oil, public resistance to the technology, and lack of commercial expertise, are rejected. Part two presents an alternative explanation for the failure of AECL to commercialize the SES. In short, technological momentum towards large-scale nuclear designs led to structural restrictions for the SES project. These restrictions manifested themselves internally to the company (e.g., marginalization of the SES) and externally to the company (e.g., licensing). In part three, the historical lessons of the SES are used to refine one of the central tenets of Popper's political philosophy, 'piecemeal social engineering.' Popper's presentation of the idea is lacking in detail; the analysis of the SES provides some empirical grounding for the concept. I argue that the institutions surrounding traditional nuclear power represent a form utopian social engineering, leading to consequences such as the suspension of civil liberties to guarantee security of the technology. The SES project was an example of a move from the utopian social engineering of large

  17. 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。

  18. Atomic Spectral Methods for Ab Initio Molecular Electronic Energy Surfaces: Transitioning From Small-Molecule to Biomolecular-Suitable Approaches.

    Science.gov (United States)

    Mills, Jeffrey D; Ben-Nun, Michal; Rollin, Kyle; Bromley, Michael W J; Li, Jiabo; Hinde, Robert J; Winstead, Carl L; Sheehy, Jeffrey A; Boatz, Jerry A; Langhoff, Peter W

    2016-08-25

    Continuing attention has addressed incorportation of the electronically dynamical attributes of biomolecules in the largely static first-generation molecular-mechanical force fields commonly employed in molecular-dynamics simulations. We describe here a universal quantum-mechanical approach to calculations of the electronic energy surfaces of both small molecules and large aggregates on a common basis which can include such electronic attributes, and which also seems well-suited to adaptation in ab initio molecular-dynamics applications. In contrast to the more familiar orbital-product-based methodologies employed in traditional small-molecule computational quantum chemistry, the present approach is based on an "ex-post-facto" method in which Hamiltonian matrices are evaluated prior to wave function antisymmetrization, implemented here in the support of a Hilbert space of orthonormal products of many-electron atomic spectral eigenstates familiar from the van der Waals theory of long-range interactions. The general theory in its various forms incorporates the early semiempirical atoms- and diatomics-in-molecules approaches of Moffitt, Ellison, Tully, Kuntz, and others in a comprehensive mathematical setting, and generalizes the developments of Eisenschitz, London, Claverie, and others addressing electron permutation symmetry adaptation issues, completing these early attempts to treat van der Waals and chemical forces on a common basis. Exact expressions are obtained for molecular Hamiltonian matrices and for associated energy eigenvalues as sums of separate atomic and interaction-energy terms, similar in this respect to the forms of classical force fields. The latter representation is seen to also provide a long-missing general definition of the energies of individual atoms and of their interactions within molecules and matter free from subjective additional constraints. A computer code suite is described for calculations of the many-electron atomic eigenspectra and

  19. INFORMATION: Special Report on "Selected Department of Energy Program Efforts to Implement the American Recovery and Reinvestment Act"

    Energy Technology Data Exchange (ETDEWEB)

    None

    2009-12-01

    The American Recovery and Reinvestment Act of 2009 (Recovery Act) was enacted on February 17, 2009, to jumpstart the economy by creating or saving millions of jobs, spurring technological advances in health and science, and investing in the Nation's energy future. The Department of Energy received over $32.7 billion in Recovery Act funding for various science, energy, and environmental programs and initiatives. As of November 2009, the Department had obligated $18.3 billion of the Recovery Act funding, but only $1.4 billion had been spent. The Department's Offices of Energy Efficiency and Renewable Energy, Fossil Energy, Environmental Management, Science, and Electricity Delivery and Energy Reliability received the majority of funding allocated to the Department, about $32.3 billion. Obligating these funds by the end of Fiscal Year 2010, as required by the Recovery Act, and overseeing their effective use in succeeding years, represents a massive workload increase for the Department's programs. The effort to date has strained existing resources. As has been widely acknowledged, any effort to disburse massive additional funding and to expeditiously initiate and complete projects increases the risk of fraud, waste and abuse. It is, therefore, important for the Department's program offices to assess and mitigate these risks to the maximum extent practicable. In this light, we initiated this review as an initial step in the Office of Inspector General's charge to determine whether the Department's major program offices had developed an effective approach for identifying and mitigating risks related to achieving the goals and objectives of the Recovery Act. The Department's program offices included in our review identified risks and planned mitigation strategies that, if successfully implemented and executed, should help achieve the goals and objectives of the Recovery Act. While each office identified risks unique to its respective

  20. Protection provided by criminal law against hazards of nuclear energy and the harmful effects of ionizing radiation. Also a survey of the history of definition of offences against the atomic energy law and radiation protection law in the Federal Republic of Germany. Der strafrechtliche Schutz vor den Gefahren der Kernenergie und den schaedlichen Wirkungen ionisierender Strahlen. Zugleich eine Darstellung der historischen Entwicklung der Kernenergie- und Strahlendelikte in der Bundesrepublik Deutschland

    Energy Technology Data Exchange (ETDEWEB)

    Reinhardt, M.

    1989-01-01

    The subjects, principles and purpose of the atomic energy law and the radiation protection law are set out, and criminal offences under atomic energy law are outlined explaining the legal terminology applied. The peaceful uses of nuclear energy and radioactive materials are briefly discussed, primarily looking at the hazards involved and the protective role of criminal law principles that have been developed in connection with the atomic energy law and its application in practice. The draft version of the 16th criminal law amendment act - Act to combat environmental delinquency - is discussed, which aims at adoption of all criminal offences under atomic energy law by the Criminal Code. The book furthermore presents considerations about basic features of delinquency under atomic energy and radiation protection law, revealing elements and facts of offences defined, and particular problems resulting thereof. The question arises, e.g., whether an incorporation of the provisions into the Special Annex to the Criminal Code, in sections 27 and 28, is a wise and suitable decision. The book finally discusses the development of definition of criminal offences by a de lege feranda approach, referring to (1) the Chernobyl reactor accident, (2) the Nuclear Safeguards agreements, and (3) the definition of maximum permissible radiation dose. (HP).

  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. Advances in the production of isotopes and radiopharmaceuticals at the Atomic Energy Corporation of South Africa

    Energy Technology Data Exchange (ETDEWEB)

    Louw, P.A.; De Villiers, W.Y.Z.; Jarvis, N.V. [Atomic Energy Corporation of South Africa Ltd, Pretoria (South Africa)

    1997-10-01

    The Atomic Energy Corporation of South Africa Ltd (AEC) owns and operates the 20 MW research reactor, SAFARI-1. Utilisation of the reactor has in recent years changed from research and materials testing to the production of isotopes. The most important breakthrough achieved in recent years is the production of high quality fission 99Mo. This has been produced routinely since April 1993 and supplied to clients across the world. A capability for the reliable production of 1000 Ci of 99Mo per week (calibrated for six days after production) has been proven. The AEC has also established facilities to produce its own 99mTc generators together with a most of radiopharmaceutical kits for diagnostic nuclear medicine purposes. The production of {sup 153}Sm and {sup 131}I (tellurium oxide route) has been operational for many years. Applications include therapeutic radiopharmaceuticals such as {sup 153}Sm-EDTMP for bone cancer pain palliation, {sup 13`}I-Lipiodol for liver cancer and {sup 131}I capsules for thyroid treatment. Facilities for the production of other isotopes such as {sup 131}I (from fission), {sup 32}P and {sup 35}S are in various stages of completion. Extensive analytical methods and equipment have been developed and are routinely used to certify the quality of exported isotopes. Irradiation and encapsulation of {sup 192}Ir is also performed routinely at the AEC. Modern facilities allow for the production of isotopes such as {sup 131}Ba and {sup 140}La on an ad hoc basis. Quality assurance procedures based on ISO9000 were developed for all aspects of the production of the various isotopes. Documentation, such as Drug Master Files, required by authorities in various countries has also been submitted and accepted 15 refs., 1 tab., 2 figs.

  3. Nuclear nonproliferation and safety: Challenges facing the International Atomic Energy Agency

    Energy Technology Data Exchange (ETDEWEB)

    1993-09-01

    The Chairman of the Senate Committee on Govermental Affairs asked the United States General Accounting Office (GAO) to review the safeguards and nuclear power plant safety programs of the International Atomic Energy Agency (IAEA). This report examines (1) the effectiveness of IAEA`s safeguards program and the adequacy of program funding, (2) the management of U.S. technical assistance to the IAEA`s safeguards program, and (3) the effectiveness of IAEA`s program for advising United Nations (UN) member states about nuclear power plant safety and the adequacy of program funding. Under its statute and the Treaty on the Non-Proliferation of Nuclear Weapons, IAEA is mandated to administer safeguards to detect diversions of significant quantities of nuclear material from peaceful uses. Because of limits on budget growth and unpaid contributions, IAEA has had difficulty funding the safeguards program. IAEA also conducts inspections of facilities or locations containing declared nuclear material, and manages a program for reviewing the operational safety of designated nuclear power plants. The U.S. technical assistance program for IAEA safeguards, overseen by an interagency coordinating committee, has enhanced the agency`s inspection capabilities, however, some weaknesses still exist. Despite financial limitations, IAEA is meeting its basic safety advisory responsibilities for advising UN member states on nuclear safety and providing requested safety services. However, IAEA`s program for reviewing the operational safety of nuclear power plants has not been fully effective because the program is voluntary and UN member states have not requested IAEA`s review of all nuclear reactors with serious problems. GAO believes that IAEA should have more discretion in selecting reactors for review.

  4. An evaluation of exchange-correlation functionals for the calculations of the ionization energies for atoms and molecules

    Energy Technology Data Exchange (ETDEWEB)

    Segala, Maximiliano [Universidade Estadual do Rio Grande do Sul, Rua Oscar Matzembacher 475, 96760-000, Tapes, RS (Brazil); Chong, Delano P. [Department of Chemistry, 2036 Main Mall, University of British Columbia, Vancouver, B.C., V6T 1Z1 (Canada)], E-mail: chong@chem.ubc.ca

    2009-04-15

    In this paper, ionization energies of gas-phase atoms and molecules are calculated by energy-difference method and by approximate transition-state models with density functional theory (DFT). To determine the best functionals for ionization energies, we first study the H to Ar atoms. An approximation is used in which the electron density is first obtained from Kohn-Sham computations with an exchange-correlation potential V{sub xc} known as statistical average of orbital potentials (SAOP), after which the energy is computed from that density with 59 different exchange-correlation energy functionals E{sub xc}. For the 18 atoms, the best E{sub xc} functional providing an average absolute deviation (AAD) of only 0.110 eV is one known as the Krieger-Chen-Iafrate-Savin functional modified by Krieger, Chen, Iafrate, and Kurth, if one uses the spin-polarized spherical atom description. On the other hand, if one imposes the condition of integer-electrons, the best functional is the Becke 1997 functional modified by Wilson, Bradley, and Tozer, with an AAD of 0.107 eV, while several other functionals perform almost as well. For molecules, we can achieve an accuracy of AAD = 0.21 eV for valence VIPs of nonperhalo molecules with {delta}E(V{sub xc} = SAOP;PBE0) using integer-electron description. For perhalo molecules our best approach is {delta}E(V{sub xc} from either E{sub xc} or SAOP;mPW1PW) with full symmetry to obtain an AAD = 0.24 eV.

  5. Refined Dummy Atom Model of Mg(2+) by Simple Parameter Screening Strategy with Revised Experimental Solvation Free Energy.

    Science.gov (United States)

    Jiang, Yang; Zhang, Haiyang; Feng, Wei; Tan, Tianwei

    2015-12-28

    Metal ions play an important role in the catalysis of metalloenzymes. To investigate metalloenzymes via molecular modeling, a set of accurate force field parameters for metal ions is highly imperative. To extend its application range and improve the performance, the dummy atom model of metal ions was refined through a simple parameter screening strategy using the Mg(2+) ion as an example. Using the AMBER ff03 force field with the TIP3P model, the refined model accurately reproduced the experimental geometric and thermodynamic properties of Mg(2+). Compared with point charge models and previous dummy atom models, the refined dummy atom model yields an enhanced performance for producing reliable ATP/GTP-Mg(2+)-protein conformations in three metalloenzyme systems with single or double metal centers. Similar to other unbounded models, the refined model failed to reproduce the Mg-Mg distance and favored a monodentate binding of carboxylate groups, and these drawbacks needed to be considered with care. The outperformance of the refined model is mainly attributed to the use of a revised (more accurate) experimental solvation free energy and a suitable free energy correction protocol. This work provides a parameter screening strategy that can be readily applied to refine the dummy atom models for metal ions.

  6. Hubbard model for ultracold bosonic atoms interacting via zero-point-energy-induced three-body interactions

    Science.gov (United States)

    Paul, Saurabh; Johnson, P. R.; Tiesinga, Eite

    2016-04-01

    We show that, for ultracold neutral bosonic atoms held in a three-dimensional periodic potential or optical lattice, a Hubbard model with dominant, attractive three-body interactions can be generated. In fact, we derive that the effect of pairwise interactions can be made small or zero starting from the realization that collisions occur at the zero-point energy of an optical lattice site and the strength of the interactions is energy dependent from effective-range contributions. We determine the strength of the two- and three-body interactions for scattering from van der Waals potentials and near Fano-Feshbach resonances. For van der Waals potentials, which for example describe scattering of alkaline-earth atoms, we find that the pairwise interaction can only be turned off for species with a small negative scattering length, leaving the 88Sr isotope a possible candidate. Interestingly, for collisional magnetic Feshbach resonances this restriction does not apply and there often exist magnetic fields where the two-body interaction is small. We illustrate this result for several known narrow resonances between alkali-metal atoms as well as chromium atoms. Finally, we compare the size of the three-body interaction with hopping rates and describe limits due to three-body recombination.

  7. A new method to measure electron density and effective atomic number using dual-energy CT images

    Science.gov (United States)

    Ramos Garcia, Luis Isaac; Pérez Azorin, José Fernando; Almansa, Julio F.

    2016-01-01

    The purpose of this work is to present a new method to extract the electron density ({ρ\\text{e}} ) and the effective atomic number (Z eff) from dual-energy CT images, based on a Karhunen-Loeve expansion (KLE) of the atomic cross section per electron. This method was used to calibrate a Siemens Definition CT using the CIRS phantom. The predicted electron density and effective atomic number using 80 kVp and 140 kVp were compared with a calibration phantom and an independent set of samples. The mean absolute deviations between the theoretical and calculated values for all the samples were 1.7 %  ±  0.1 % for {ρ\\text{e}} and 4.1 %  ±  0.3 % for Z eff. Finally, these results were compared with other stoichiometric method. The application of the KLE to represent the atomic cross section per electron is a promising method for calculating {ρ\\text{e}} and Z eff using dual-energy CT images.

  8. Federal energy conservation programs pursuant to section 381 of the Energy Policy and Conservation Act (Public Law 94-163). Annual report to Congress

    Energy Technology Data Exchange (ETDEWEB)

    1979-02-21

    This report provides an overview of the activities and achievements of the executive branch of the Federal Government in implementing the energy conservation requirements and provisions of section 381 of the Energy Policy and Conservation Act (EPCA) of 1975 (Public Law 94-163). The report describes Federal actions to develop procurement policies that promote energy conservation and efficiency, develop a Federal 10-Year Buildings Energy Conservation Plan, develop responsible public education and information programs, encourage energy conservation and energy efficiency, and promote vanpooling and carpooling arrangements. About half of the Nation's energy is used in our homes and automobiles. Another 48 percent is used by State and local governments, business and insutry, in providing needed goods and services. The Federal Government is the Nation's largest energy user, accouting for 2.2 percent of the total national energy used in 1977. This energy is used by nearly 6 million people in more than 400 thousand buildings and in the operation of more than 600 thousand vehicles. While energy conservation and energy efficiency measures alone cannot solve our immediate problems, they are an essential part of our transition to an era of scarce and expensive energy supplies.

  9. First-Principles Molecular Dynamics Investigation of the Atomic-Scale Energy Transport: From Heat Conduction to Thermal Radiation

    CERN Document Server

    Ji, Pengfei

    2016-01-01

    First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing thermostats to keep constant temperatures of the nanoscale thin layers, initial thermal non-equilibrium between the neighboring layers is established under the vacuum condition. Models with variable gap distances with an interval of lattice constant increment of the simulated materials are set up and statistical comparisons of temperature evolution curves are made. Moreover, the equilibration time from non-equilibrium state to thermal equilibrium state of different silicon or/and germanium layers combinations are calculated. The results show significant distinctions of heat transfer under different materials and temperatures combinations. Further discussions on the equilibrium time are made to explain the simulation results. As the first work of the atomic scale energy tra...

  10. Estimation of length scale of RS II-$p$ braneworld model through perturbations in Helium's atom ground state energy

    CERN Document Server

    Garrido, Nephtali

    2012-01-01

    We put to the test an effective three-dimensional electrostatic potential, obtained effectively by considering an electrostatic source inside a (5+$p$)-dimensional braneworld scenario with $p$ compact and one infinite spacial extra dimensions in the RS II-$p$ model, for $p=1$ and $p=2$. This potential is regular at the source and matches the standard Coulomb potential outside a neighborhood. We use variational and perturbative approximation methods to calculate corrections to the ground energy of the Helium atom modified by this potential, by making use of a 6 and 39-parameter trial wave function of Hylleraas type for the ground state. These corrections to the ground-state energy are compared with experimental data for Helium atom in order to set bounds for the extra dimensions length scale. We find that these bounds are less restrictive than the ones obtained by Morales et. al. through a calculation using the Lamb shift in Hydrogen.

  11. Stereodynamical Origin of Anti-Arrhenius Kinetics: Negative Activation Energy and Roaming for a Four-Atom Reaction.

    Science.gov (United States)

    Coutinho, Nayara D; Silva, Valter H C; de Oliveira, Heibbe C B; Camargo, Ademir J; Mundim, Kleber C; Aquilanti, Vincenzo

    2015-05-07

    The OH + HBr → H2O + Br reaction, prototypical of halogen-atom liberating processes relevant to mechanisms for atmospheric ozone destruction, attracted frequent attention of experimental chemical kinetics: the nature of the unusual reactivity drop from low to high temperatures eluded a variety of theoretical efforts, ranking this one among the most studied four-atom reactions. Here, inspired by oriented molecular-beams experiments, we develop a first-principles stereodynamical approach. Thermalized sets of trajectories, evolving on a multidimensional potential energy surface quantum mechanically generated on-the-fly, provide a map of most visited regions at each temperature. Visualizations of rearrangements of bonds along trajectories and of the role of specific angles of reactants' mutual approach elucidate the mechanistic change from the low kinetic energy regime (where incident reactants reorient to find the propitious alignment leading to reaction) to high temperature (where speed hinders adjustment of directionality and roaming delays reactivity).

  12. Current mapping of low-energy (120 eV) helium and hydrogen irradiated tungsten by conductive atomic force microscopy

    Science.gov (United States)

    Fan, Hongyu; Endo, Takashi; Bi, Zhenghua; Yan, Weibin; Ohnuki, Somei; Yang, Qi; Ni, Weiyuan; Liu, Dongping

    2017-04-01

    Both conductive atomic force microscopy (CAFM) and transmission electron microscopy have been used to characterize the defects or He bubbles in low-energy (120 eV) H and He irradiated tungsten (W). By a comparative study, we find that the current mapping from CAFM is very sensitive in the detection of nanometer-sized defects in low-energy H and He irradiated W. Our calculation confirms that the resistance change in H and He irradiated W is strongly affected by the distance between atomic force microscopy tip and defects/He bubbles. CAFM can accurately detect defects/He bubbles in the W surface layer, however, it is infeasible to measure them in the deep layer (>20 nm), especially due to the existence of defects in the surface layer.

  13. Tumor radiosensitizers - current status of development of various approaches: Report of an International Atomic Energy Agency meeting

    DEFF Research Database (Denmark)

    Horsman, Michael Robert; Bohm, Lothar; Margison, Geoffrey P.

    2006-01-01

    PURPOSE: The International Atomic Energy Agency (IAEA) held a Technical Meeting of Consultants to (1) discuss a selection of relatively new agents, not those well-established in clinical practice, that operated through a variety of mechanisms to sensitize tumors to radiation and (2) to compare...... and contrast their tumor efficacy, normal tissue toxicity, and status of development regarding clinical application. The aim was to advise the IAEA as to which developing agent or class of agents would be worth promoting further, by supporting additional laboratory research or clinical trials...... and for clinical trials that would be suitable for industrialized countries, as well as trials that were considered more appropriate for developing countries.PURPOSE: The International Atomic Energy Agency (IAEA) held a Technical Meeting of Consultants to (1) discuss a selection of relatively new agents, not those...

  14. Back-Influence of Molecular Motion on Energy Transfer in the Landau-Teller Model of Atom Molecule Scattering.

    Science.gov (United States)

    Pollak, Eli

    2016-07-21

    This year we celebrate the 80th anniversary of the Landau-Teller model for energy exchange in a collinear collision of an atom with a harmonic diatomic molecule. Even after 80 years though, the analytic theory to date has not included in it the back-influence of the oscillator's motion on the energy transfer between the approaching particle and the molecule. This is the topic of the present paper. The back-influence can be obtained by employing classical second-order perturbation theory. The second-order theory is used in both a classical and semiclassical context. Classically, analytic expressions are derived for the final phase and action of the diatom, after the collision. The energy loss of the atom is shown to decrease linearly with the increasing energy of the oscillator. The magnitude of this decrease is a direct consequence of the back-reaction of the oscillator on the translational motion. The qualitative result is universal, in the sense that it is not dependent on the details of the interaction of the atom with the oscillator. A numerical application to a model collision of an Ar atom with a Br2 diatom demonstrates the importance and accuracy of the second-order perturbation theory. The same results are then used to derive a second-order perturbation theory semiclassical expression for the quantum transition probability from initial vibrational state ni to final vibrational state nf of the oscillator. A comparison of the theory with exact quantum data is presented for a model collision of Br2 with a hydrogen molecule, where the hydrogen molecule is considered as a single approaching particle.

  15. Collisions of electrons with hydrogen atoms I. Package outline and high energy code

    Science.gov (United States)

    Benda, Jakub; Houfek, Karel

    2014-11-01

    Being motivated by the applied researchers’ persisting need for accurate scattering data for the collisions of electrons with hydrogen atoms, we developed a computer package-Hex-that is designed to provide trustworthy results for all basic discrete and continuous processes within non-relativistic framework. The package consists of several computational modules that implement different methods, valid for specific energy regimes. Results of the modules are kept in a common database in the unified form of low-level scattering data (partial-wave T-matrices) and accessed by an interface program which is able to produce various derived quantities like e.g. differential and integral cross sections. This article is the first one of a series of articles that are concerned with the implementation and testing of the modules. Here we give an overview of their structure and present (a) the command-line interface program hex-db that can be also easily compiled into a derived code or used as a backend for a web-page form and (b) simple illustrative module specialized for high energies, hex-dwba, that implements distorted and plane wave Born approximation. Catalogue identifier: AETH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AETH_v1_0.html Program obtainable from: CPC Program library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data etc.: 30367 No. of bytes in distributed program, including test data etc.: 232032 Distribution format: tar.gz Programming language: C++11 Operating system: Any system with a C++11 compiler (e.g. GCC 4.8.1; tested on OpenSUSE 13.1 and Windows 8). RAM: Test run 3 MiB. CPC Library Classification: 2.4 Electron scattering External libraries:GSL [49], FFTW3[52], SQLite3 [46]. All of the libraries are open-source and maintained. Nature of problem: Extraction of derived (observable) quantities from partial

  16. The Manhattan Project: Making the atomic bomb

    Energy Technology Data Exchange (ETDEWEB)

    Gosling, F.G.

    1994-09-01

    This article is a short history of the origins and development of the American atomic bomb program during World War II. Beginning with the scientific developments of the pre-war years, the monograph details the role of US government in conducting a secret, nationwide enterprise that took science from the laboratory and into combat with an entirely new type of weapon. The monograph concludes with a discussion of the immediate postwar period, the debate over the Atomic Energy Act of 1946, and the founding of the Atomic Energy Commission.

  17. Scattering of NH{sub 3} and ND{sub 3} with rare gas atoms at low collision energy

    Energy Technology Data Exchange (ETDEWEB)

    Loreau, J., E-mail: jloreau@ulb.ac.be [Service de Chimie Quantique et Photophysique, Université Libre de Bruxelles (ULB) CP 160/09, 50 av. F.D. Roosevelt, 1050 Brussels (Belgium); Avoird, A. van der, E-mail: A.vanderAvoird@theochem.ru.nl [Theoretical Chemistry, Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6525 AJ Nijmegen (Netherlands)

    2015-11-14

    We present a theoretical study of elastic and rotationally inelastic collisions of NH{sub 3} and ND{sub 3} with rare gas atoms (He, Ne, Ar, Kr, Xe) at low energy. Quantum close-coupling calculations have been performed for energies between 0.001 and 300 cm{sup −1}. We focus on collisions in which NH{sub 3} is initially in the upper state of the inversion doublet with j = 1, k = 1, which is the most relevant in an experimental context as it can be trapped electrostatically and Stark-decelerated. We discuss the presence of resonances in the elastic and inelastic cross sections, as well as the trends in the inelastic cross sections along the rare gas series and the differences between NH{sub 3} and ND{sub 3} as a colliding partner. We also demonstrate the importance of explicitly taking into account the umbrella (inversion) motion of NH{sub 3} in order to obtain accurate scattering cross sections at low collision energy. Finally, we investigate the possibility of sympathetic cooling of ammonia using cold or ultracold rare gas atoms. We show that some systems exhibit a large ratio of elastic to inelastic cross sections in the cold regime, which is promising for sympathetic cooling experiments. The close-coupling calculations are based on previously reported ab initio potential energy surfaces for NH{sub 3}–He and NH{sub 3}–Ar, as well as on new, four-dimensional, potential energy surfaces for the interaction of ammonia with Ne, Kr, and Xe, which were computed using the coupled-cluster method and large basis sets. We compare the properties of the potential energy surfaces corresponding to the interaction of ammonia with the various rare gas atoms.

  18. Hydration free energies using semiempirical quantum mechanical Hamiltonians and a continuum solvent model with multiple atomic-type parameters.

    Science.gov (United States)

    Anisimov, Victor M; Cavasotto, Claudio N

    2011-06-23

    To build the foundation for accurate quantum mechanical (QM) simulation of biomacromolecules in an aqueous environment, we undertook the optimization of the COnductor-like Screening MOdel (COSMO) atomic radii and atomic surface tension coefficients for different semiempirical Hamiltonians adhering to the same computational conditions recently followed in the simulation of biomolecular systems. This optimization was achieved by reproducing experimental hydration free energies of a set consisting of 507 neutral and 99 ionic molecules. The calculated hydration free energies were significantly improved by introducing a multiple atomic-type scheme that reflects different chemical environments. The nonpolar contribution was treated according to the scaled particle Claverie-Pierotti formalism. Separate radii and surface tension coefficient sets have been developed for AM1, PM3, PM5, and RM1 semiempirical Hamiltonians, with an average unsigned error for neutral molecules of 0.64, 0.66, 0.73, and 0.71 kcal/mol, respectively. Free energy calculation of each molecule took on average 0.5 s on a single processor. The new sets of parameters will enhance the quality of semiempirical QM calculations using COSMO in biomolecular systems. Overall, these results further extend the utility of QM methods to chemical and biological systems in the condensed phase.

  19. 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.

  20. 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.

  1. Triple differential cross section for the near threshold single ionization of helium atoms for equal energy sharing

    Energy Technology Data Exchange (ETDEWEB)

    Purohit, G., E-mail: ghanshyam.purohit@spsu.ac.in [Department of Physics, School of Engineering, Sir Padampat Singhania University, Bhatewar, Udaipur 313 601 (India); Singh, P. [Department of Physics, School of Engineering, Sir Padampat Singhania University, Bhatewar, Udaipur 313 601 (India); Dorn, A.; Ren, X. [Max Planck Institute for Nuclear Physics, 69117 Heidelberg (Germany); Patidar, V. [Department of Physics, School of Engineering, Sir Padampat Singhania University, Bhatewar, Udaipur 313 601 (India)

    2016-05-15

    Highlights: • Present paper describes electron impact single ionization of helium atoms near threshold. • This energy range provided challenges to theoretical models due to presence of several physical effects at low energies such as second order processes, PCI, polarization, etc. • Inclusion of second Born term and target polarization is helpful to analyze the measurements. • Present paper also describes usefulness of post collisional interaction in the collision dynamics at low energies. - Abstract: Low energy electron impact single ionization triple differential cross section (TDCS) results are reported for the helium atoms in the threshold regime at 1 eV, 3 eV and 5 eV excess energy. TDCSs are calculated in the doubly symmetric kinematics for the coplanar to perpendicular emission of electrons. Present attempt to calculate TDCS in the second Born approximation and treating target polarization and post collision interaction is helpful to analyze the available measurements. The second order processes, target polarization and post collision interaction (PCI) have been found to be significant in describing the trends of TDCS and helpful to produce reasonably good agreement with measurements.

  2. Third-order Douglas-Kroll self-consistent field energies for the neutral atoms H to Uuo.

    Science.gov (United States)

    Saito, Shiro L

    2009-02-21

    Third-order Douglas-Kroll self-consistent field (DK3-SCF) calculations with a finite-nucleus model were carried out for the neutral atoms H to Uuo, and DK3-SCF energies were obtained for them. The basis set used was the B-spline set. The parameters of the B-spline set were determined so as to reproduce the SQR-SCF limit energies given by Gaussian-type functions (GTFs). The SQR-SCF is a self-consistent field calculation with a simplified first-order Douglas-Kroll Hamiltonian (the "SQR" Hamiltonian) and can be carried out exactly with GTFs. The DK3-SCF energies given by this B-spline set should be highly accurate. A comparison is made with the DK3-SCF energies of Nakajima and Hirao [J. Chem. Phys. 116, 8270 (2002).

  3. Tomography of atomic number and density of materials using dual-energy imaging and the Alvarez and Macovski attenuation model

    Science.gov (United States)

    Paziresh, M.; Kingston, A. M.; Latham, S. J.; Fullagar, W. K.; Myers, G. M.

    2016-06-01

    Dual-energy computed tomography and the Alvarez and Macovski [Phys. Med. Biol. 21, 733 (1976)] transmitted intensity (AMTI) model were used in this study to estimate the maps of density (ρ) and atomic number (Z) of mineralogical samples. In this method, the attenuation coefficients are represented [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976)] in the form of the two most important interactions of X-rays with atoms that is, photoelectric absorption (PE) and Compton scattering (CS). This enables material discrimination as PE and CS are, respectively, dependent on the atomic number (Z) and density (ρ) of materials [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976)]. Dual-energy imaging is able to identify sample materials even if the materials have similar attenuation coefficients at single-energy spectrum. We use the full model rather than applying one of several applied simplified forms [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976); Siddiqui et al., SPE Annual Technical Conference and Exhibition (Society of Petroleum Engineers, 2004); Derzhi, U.S. patent application 13/527,660 (2012); Heismann et al., J. Appl. Phys. 94, 2073-2079 (2003); Park and Kim, J. Korean Phys. Soc. 59, 2709 (2011); Abudurexiti et al., Radiol. Phys. Technol. 3, 127-135 (2010); and Kaewkhao et al., J. Quant. Spectrosc. Radiat. Transfer 109, 1260-1265 (2008)]. This paper describes the tomographic reconstruction of ρ and Z maps of mineralogical samples using the AMTI model. The full model requires precise knowledge of the X-ray energy spectra and calibration of PE and CS constants and exponents of atomic number and energy that were estimated based on fits to simulations and calibration measurements. The estimated ρ and Z images of the samples used in this paper yield average relative errors of 2.62% and 1.19% and maximum relative errors of 2.64% and 7.85%, respectively. Furthermore, we demonstrate that the method accounts for the beam hardening effect in density (ρ) and

  4. Report of the US Department of Energy's team analyses of the Chernobyl-4 Atomic Energy Station accident sequence

    Energy Technology Data Exchange (ETDEWEB)

    1986-11-01

    In an effort to better understand the Chernobyl-4 accident of April 26, 1986, the US Department of Energy (DOE) formed a team of experts from the National Laboratories including Argonne National Laboratory, Brookhaven National Laboratory, Oak Ridge National Laboratory, and Pacific Northwest Laboratory. The DOE Team provided the analytical support to the US delegation for the August meeting of the International Atomic Energy Agency (IAEA), and to subsequent international meetings. The DOE Team has analyzed the accident in detail, assessed the plausibility and completeness of the information provided by the Soviets, and performed studies relevant to understanding the accident. The results of these studies are presented in this report.

  5. Nuclear energy and non proliferation. The role of the International Atomic Energy Agency; Energia nuclear y no proliferacion. El papel de la Organizacion Internacional de la Energia Atomica

    Energy Technology Data Exchange (ETDEWEB)

    Cooley, J.; Rauf, T.

    2008-07-01

    This article discusses the role of the International Atomic Energy Agency (IAEA) in the prevention of the spread of nuclear weapons. The IAEA verifies States compliance with their non-proliferation commitments through the application of safeguards on their civilian nuclear programmes to ensure that they are being used solely for peaceful purposes. The IAEA safeguards have evolved in the course of five decades and have become an integral part of the international non-proliferation regime and the global security system. To continue to serve the international community, they need to continue to move with the times, especially in light of the renewed interest in nuclear energy. (Author)

  6. Aerial Measuring System (AMS)/Israel Atomic Energy Commission (IAEC) Joint Comparison Study Report

    Energy Technology Data Exchange (ETDEWEB)

    Wasiolek, P. [National Security Technologies, LLC. (NSTec), Mercury, NV (United States); Halevy, I. [Israel Atomic Energy Commission (IAEC), Yavne (Israel)

    2013-12-23

    Under the 13th Bilateral Meeting to Combat Nuclear Terrorism conducted on January 8–9, 2013, the committee approved the development of a cost-effective proposal to conduct a Comparison Study of the Aerial Measuring System (AMS) of the U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA) and Israel Atomic Energy Commission (IAEC). The study was to be held at the Remote Sensing Laboratory (RSL), Nellis Air Force Base, Las Vegas, Nevada, with measurements at the Nevada National Security Site (NNSS). The goal of the AMS and the IAEC joint survey was to compare the responses of the two agencies’ aerial radiation detection systems to varied radioactive surface contamination levels and isotopic composition experienced at the NNSS, and the differing data processing techniques utilized by the respective teams. Considering that for the comparison both teams were using custom designed and built systems, the main focus of the short campaign was to investigate the impact of the detector size and data analysis techniques used by both teams. The AMS system, SPectral Advanced Radiological Computer System, Model A (SPARCS-A), designed and built by RSL, incorporates four different size sodium iodide (NaI) crystals: 1" × 1", 2" × 4" × 4", 2" × 4" ×16", and an “up-looking” 2" × 4" × 4". The Israel AMS System, Air RAM 2000, was designed by the IAEC Nuclear Research Center – Negev (NRCN) and built commercially by ROTEM Industries (Israel) and incorporates two 2" diameter × 2" long NaI crystals. The operational comparison was conducted at RSL-Nellis in Las Vegas, Nevada, during week of June 24–27, 2013. The Israeli system, Air RAM 2000, was shipped to RSL-Nellis and mounted together with the DOE SPARCS on a DOE Bell-412 helicopter for a series of aerial comparison measurements at local test ranges, including the Desert Rock Airport and Area 3 at the NNSS. A 4-person Israeli team from the IAEC NRCN supported the activity together with 11

  7. Calculations of Energy Losses due to Atomic Processes in Tokamaks with Applications to the ITER Divertor

    CERN Document Server

    Post, D; Clark, R E H; Putvinskaya, N

    1995-01-01

    Reduction of the peak heat loads on the plasma facing components is essential for the success of the next generation of high fusion power tokamaks such as the International Thermonuclear Experimental Reactor (ITER) 1 . Many present concepts for accomplishing this involve the use of atomic processes to transfer the heat from the plasma to the main chamber and divertor chamber walls and much of the experimental and theoretical physics research in the fusion program is directed toward this issue. The results of these experiments and calculations are the result of a complex interplay of many processes. In order to identify the key features of these experiments and calculations and the relative role of the primary atomic processes, simple quasi-analytic models and the latest atomic physics rate coefficients and cross sections have been used to assess the relative roles of central radiation losses through bremsstrahlung, impurity radiation losses from the plasma edge, charge exchange and hydrogen radiation losses f...

  8. INFORMATION: Special Report on "Selected Department of Energy Program Efforts to Implement the American Recovery and Reinvestment Act"

    Energy Technology Data Exchange (ETDEWEB)

    None

    2009-12-01

    The American Recovery and Reinvestment Act of 2009 (Recovery Act) was enacted on February 17, 2009, to jumpstart the economy by creating or saving millions of jobs, spurring technological advances in health and science, and investing in the Nation's energy future. The Department of Energy received over $32.7 billion in Recovery Act funding for various science, energy, and environmental programs and initiatives. As of November 2009, the Department had obligated $18.3 billion of the Recovery Act funding, but only $1.4 billion had been spent. The Department's Offices of Energy Efficiency and Renewable Energy, Fossil Energy, Environmental Management, Science, and Electricity Delivery and Energy Reliability received the majority of funding allocated to the Department, about $32.3 billion. Obligating these funds by the end of Fiscal Year 2010, as required by the Recovery Act, and overseeing their effective use in succeeding years, represents a massive workload increase for the Department's programs. The effort to date has strained existing resources. As has been widely acknowledged, any effort to disburse massive additional funding and to expeditiously initiate and complete projects increases the risk of fraud, waste and abuse. It is, therefore, important for the Department's program offices to assess and mitigate these risks to the maximum extent practicable. In this light, we initiated this review as an initial step in the Office of Inspector General's charge to determine whether the Department's major program offices had developed an effective approach for identifying and mitigating risks related to achieving the goals and objectives of the Recovery Act. The Department's program offices included in our review identified risks and planned mitigation strategies that, if successfully implemented and executed, should help achieve the goals and objectives of the Recovery Act. While each office identified risks unique to its respective

  9. On the Coulomb corrections to the total cross section of the interaction of the $\\pi^{+}\\pi^{-}$ atom with ordinary atoms at high energy

    CERN Document Server

    Ivanov, D Yu

    1999-01-01

    The size of $\\pi^+\\pi^-$ atom in the low lying states is considerably smaller than the radius of atomic screening. Due to that we can neglect this screening calculating the contribution of multi-photon exchanges. We obtain the analytic formula for Coulomb corrections which works with a very good accuracy for the ground state of $\\pi^+\\pi^-$ atom.

  10. Long range intermolecular forces in triatomic systems: connecting the atom-diatom and atom-atom-atom representations

    OpenAIRE

    2005-01-01

    The long-range forces that act between three atoms are analysed in both atom-diatom and atom-atom-atom representations. Expressions for atom-diatom dispersion coefficients are obtained in terms of 3-body nonadditive coefficients. The anisotropy of atom-diatom C_6 dispersion coefficients arises primarily from nonadditive triple-dipole and quadruple-dipole forces, while pairwise-additive forces and nonadditive triple-dipole and dipole-dipole-quadrupole forces contribute significantly to atom-di...

  11. Estimating the activation energy of the displacement of Mg atoms in the channels of B25C4Mg1.42 crystals

    Science.gov (United States)

    Konovalikhin, S. V.; Ponomarev, V. I.

    2016-10-01

    The activation energy of displacement of Mg atoms through channels of B25C4Mg1.42 crystals is estimated using quantum chemical calculations (DFT (B3LYP potential), RHF, and UHF methods, 3-21G basis set) of the element of the structure modeling the channel and location of Mg atoms in it. The changes in the activation energy at the replacement of Mg atoms by Na and Li atoms were estimated. The greatest decreasing in the activation energy was detected for Li atoms. The obtained results can be regarded as a theoretical background for development of conducting systems based on B25C4Mg1.42 crystals.

  12. Analysis of H atoms in a negative ion source plasma with the non-equilibrium electron energy distribution function

    Energy Technology Data Exchange (ETDEWEB)

    Koga, S.; Shibata, T.; Terasaki, R.; Kameyama, N.; Hatayama, A. [Graduate School of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522 (Japan); Bacal, M. [LPP, Ecole Polytechnique, Palaiseau, UPMC, Universite PARIS-SUD 11, UMR CNRS 7648 (France); Tsumori, K. [National Institute for Fusion Science, 322-6 Oroshi-cho, Toki 509-5292 (Japan)

    2012-02-15

    In negative ion sources for the neutral beam injection, it is important to calculate H atom flux onto the plasma grid (PG) surface for the evaluation of H{sup -} production on the PG surface. We have developed a neutral (H{sub 2} molecules and H atoms) transport code. In the present study, the neutral transport code is applied to the analysis of the H{sub 2} and H transport in a NIFS-R and D ion source in order to calculate the flux onto the PG surface. Taking into account non-equilibrium feature of the electron energy distribution function (EEDF), i.e., the fast electron component, we have done the neutral transport simulation. The results suggest that the precise evaluation of the EEDF, especially in the energy range 15 eV < E < 30 eV is important for the dissociation rate of H{sub 2} molecules by the electron impact collision and the resultant H atom flux on the PG.

  13. Signatures of distinct impurity configurations in atomic-resolution valence electron-energy-loss spectroscopy: Application to graphene

    Science.gov (United States)

    Kapetanakis, Myron D.; Oxley, Mark P.; Zhou, Wu; Pennycook, Stephen J.; Idrobo, Juan-Carlos; Pantelides, Sokrates T.

    2016-10-01

    The detection and identification of impurities and other point defects in materials is a challenging task. Signatures for point defects are typically obtained using spectroscopies without spatial resolution. Here we demonstrate the power of valence electron-energy-loss spectroscopy (VEELS) in an aberration-corrected scanning transmission-electron microscope (STEM) to provide energy-resolved and atomically resolved maps of electronic excitations of individual impurities which, combined with theoretical simulations, yield unique signatures of distinct bonding configurations of impurities. We report VEELS maps for isolated Si impurities in graphene, which are known to exist in two distinct configurations. We also report simulations of the maps, based on density functional theory and dynamical scattering theory, which agree with and provide direct interpretation of observed features. We show that theoretical VEELS maps exhibit distinct and unambiguous signatures for the threefold- and fourfold-coordinated configurations of Si impurities in different energy-loss windows, corresponding to impurity-induced bound states, resonances, and antiresonances. With the advent of new monochromators and detectors with high energy resolution and low signal-to-noise ratio, the present work ushers an atomically resolved STEM-based spectroscopy of individual impurities as an alternative to conventional spectroscopies for probing impurities and defects.

  14. Laboratory Measurements of Charge Transfer on Atomic Hydrogen at Thermal Energies

    Science.gov (United States)

    Havener, C. C.; Vane, C. R.; Krause, H. F.; Stancil, P. C.; Mroczkowski, T.; Savin, D. W.

    2002-01-01

    We describe our ongoing program to measure velocity dependent charge transfer (CT) cross sections for selected ions on atomic hydrogen using the ion-aloin merged-beams apparatus at Oak Ridge Natioiial Laboralory. Our focus is on those ions for which CT plays an important role in determining the ionization structure, line emis sion, and thermal structure of observed cosmic photoionized plasmas.

  15. Continuum effects on positron scattering of atomic hydrogen at intermediate energies

    Energy Technology Data Exchange (ETDEWEB)

    Ratnavelu, Kuru [Quantum Scattering Theory Group, Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia). E-mail: j2kurun at umcsd.um.edu.my; Rajagopal, Kalai Kumar [Quantum Scattering Theory Group, Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    1999-07-28

    An optical potential method to study the positron-hydrogen atom scattering system within the close-coupling framework that includes both the positron-hydrogen and positronium-proton channels has been implemented. Ionization, positronium formation and total cross sections are reported and are compared to other available theoretical and experimental data. (author00.

  16. Operational aspects of the energy efficiency act; A operacionalizacao de lei de eficiencia energetica

    Energy Technology Data Exchange (ETDEWEB)

    Haddad, Jamil [Universidade Federal de Itajuba (UNIFEI), MG (Brazil). Inst. de Sistemas Eletrico e Energia. Grupo de Estudos Energeticos (GEE)]. E-mail: jamil@unifei.edu.br; Porto, Laura Cristina da Fonseca; Leonelli, Paulo Augusto; Cruz, Paulo de Tarso de Alexandria [Ministerio das Minas e Energia (MME), Brasilia, DF (Brazil). Secretaria de Planejamento e Desenvolvimento Energetico. Dept. de Desenvolvimento Energetico]. E-mails: lporto@mme.gov.br; pleonelli@mme.gov.br; paulo.cruz@mme.gov.br

    2006-07-01

    This paper presents a regulatory mark related to the Law 10.295 dated of October 17, 2001, Decree 4508 dated of December 11, 2002, regulating the establishment of the energy specific consumption maximum levels, or energy efficiency minimum, machines and energy consumer devices fabricated and trading in Brazil. Institutional and operational questions besides some results will be approached viewing the improvement of these important instruments related to the energy efficiency theme.

  17. 78 FR 43974 - Energy and Water Use Labeling for Consumer Products Under the Energy Policy and Conservation Act...

    Science.gov (United States)

    2013-07-23

    ... From the Federal Register Online via the Government Publishing Office FEDERAL TRADE COMMISSION 16 CFR Part 305 Energy and Water Use Labeling for Consumer Products Under the Energy Policy and... standards and to aid shoppers who compare products during this period, AHAM proposed two measures. First,...

  18. Department of Energy's John O'Fallon Begins New Position; Robin Staffin Appointed Acting HEP Director

    CERN Multimedia

    Baggett, N

    2003-01-01

    Officials of the DOE's Office of High Energy and Nuclear Physics have announced that after 15 years as Director of the Division of High Energy Physics, Dr. John R. O'Fallon has accepted the position of Executive Assistant for International and Interagency Planning, in the Office of the Associate Director for High Energy and Nuclear Physics, effective March 24, 2003 (1 page).

  19. Interactions of satellite-speed helium atoms with satellite surfaces. III. Drag coefficients from spatial and energy distributions of reflected helium atoms. [1235-O and 6061 T-6 aluminum

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, P.K.; Knuth, E.L.

    1977-12-01

    Spatial and energy distributions of helium atoms scattered from an anodized 1235-0 aluminum surface as well as the tangential and normal momentum accommodation coefficients calculated from these distributions are reported. A procedure for calculating drag coefficients from measured values of spatial and energy distributions is given. The drag coefficient calculated for a 6061 T-6 aluminum sphere is included.

  20. Composition measurement in substitutionally disordered materials by atomic resolution energy dispersive X-ray spectroscopy in scanning transmission electron microscopy.

    Science.gov (United States)

    Chen, Z; Taplin, D J; Weyland, M; Allen, L J; Findlay, S D

    2016-10-21

    The increasing use of energy dispersive X-ray spectroscopy in atomic resolution scanning transmission electron microscopy invites the question of whether its success in precision composition determination at lower magnifications can be replicated in the atomic resolution regime. In this paper, we explore, through simulation, the prospects for composition measurement via the model system of AlxGa1-xAs, discussing the approximations used in the modelling, the variability in the signal due to changes in configuration at constant composition, and the ability to distinguish between different compositions. Results are presented in such a way that the number of X-ray counts, and thus the expected variation due to counting statistics, can be gauged for a range of operating conditions.

  1. On the effective atomic number and electron density: A comprehensive set of formulas for all types of materials and energies above 1 keV

    DEFF Research Database (Denmark)

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

    2008-01-01

    A comprehensive and consistent set of formulas is given for calculating the effective atomic number and electron density for all types of materials and for all photon energies greater than 1 keV. The are derived from first principles using photon interaction cross sections of the constituent atoms...

  2. Analytic Elastic Cross Sections for Electron-Atom Scattering from Generalized Fano Profiles of Overlapping Low-Energy Shape Resonances

    CERN Document Server

    Nicoletopoulos, P

    2003-01-01

    The variation with energy of the total cross section for elastic electron scattering from atoms of several elements is caused primarily by shape resonances corresponding to the formation of temporary negative ions. It is shown that such cross sections are expressible analytically in terms of a constant background added to a "generalized Fano profile" [Durand Ph, et al (2001) J. Phys. B: At. Mol. Opt. Phys. 34, 1953, ibid (2002) 35, 469]. In three cases (sodium, magnesium and mercury), a detailed consideration proves that this representation is accurate in a fairly wide energy range. Moreover, the related momentum transfer cross sections are tailor-made for studying "elastic" electron transport in terms of the two-term solution of the Boltzmann equation: Not only are the resulting swarm transport coefficients adjustable to the experimental values, but above all they are calculable very easily because the unnormalized energy distribution is obtainable analytically. The ample saving in computational effort is ex...

  3. Energy transport corridors: the potential role of Federal lands in states identified by the Energy Policy Act of 2005, section 368(b).

    Energy Technology Data Exchange (ETDEWEB)

    Krummel, J.; Hlohowskyj, I.; Kuiper, J.; Kolpa, R.; Moore, R.; May, J.; VanKuiken, J.C.; Kavicky, J.A.; McLamore, M.R.; Shamsuddin, S. (Decision and Information Sciences); ( EVS)

    2011-09-01

    On August 8, 2005, the President signed the Energy Policy Act of 2005 (EPAct) into law. In Subtitle F of EPAct, Congress set forth various provisions that would change the way certain federal agencies (Agencies) coordinate to authorize the use of land for a variety of energy-related purposes. As part of Subtitle F of EPAct, Section 368 addresses the issue of energy transportation corridors on federal land for oil, gas, and hydrogen pipelines, as well as electricity transmission and distribution facilities. Because of the critical importance of improving the nation's electrical transmission grid, Congress recognized that electricity transmission issues should receive added attention when the Agencies address corridor location and analysis issues. In Section 368, Congress specifically directed the Agencies to consider the need for upgraded and new facilities to deliver electricity: In carrying out [Section 368], the Secretaries shall take into account the need for upgraded and new electricity transmission and distribution facilities to (1) improve reliability; (2) relieve congestion; and (3) enhance capability of the national grid to deliver electricity. Section 368 does not require the Agencies to consider or approve specific projects, applications for rights-of-way (ROWs), or other permits within designated energy corridors. Importantly, Section 368 does not direct, license, or otherwise permit any on-the-ground activity of any sort. If an applicant is interested in obtaining an authorization to develop a project within any corridor designated under Section 368, the applicant would have to apply for a ROW authorization and applicable permits. The Agencies would consider each application by applying appropriate project-specific reviews under requirements of laws and related regulations, including, but not limited to, the National Environmental Policy Act (NEPA), the Clean Water Act, the Clean Air Act, Section 7 of the Endangered Species Act (ESA), and Section

  4. The Decline of the Atom and the Rise of the Sun as Future Energy Sources

    Science.gov (United States)

    Bockris, J. O'M.

    1973-01-01

    Examines the various energy sources likely to be developed in the near future, and suggests that the only satisfactory solution lies in the development of solar energy and an associated non-polluting "hydrogen economy." Concludes that Australia has ideal conditions and the technical expertise to lead in solar energy research. (JR)

  5. 48 CFR 952.226-71 - Utilization of Energy Policy Act target entities.

    Science.gov (United States)

    2010-10-01

    ... that meets the requirements of 34 CFR 600.4(a) and has a student enrollment that consists of at least... CFR 608.2; and (3) Small business concerns, as defined under section 3 of the Small Business Act (15 U... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Utilization of...

  6. Memorandum of understanding between the Bureau of Sport Fisheries and Wildlife and the United States Atomic Energy Commission [Hawaiian Islands National Wildlife Refuge

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — This document is a memorandum of an agreement between the U.S. Bureau of Sport Fisheries and Wildlife and the US Atomic Energy Commission. It states that the BSFW...

  7. The Manhattan Project: Making the Atomic Bomb. 1999 edition.

    Energy Technology Data Exchange (ETDEWEB)

    Gosling, F.G.

    1999-01-01

    ``The Manhattan Project: Making the Atomic Bomb`` is a short history of the origins and development of the American atomic bomb program during World War II. Beginning with the scientific developments of the pre-war years, the monograph details the role of the United States government in conducting a secret, nationwide enterprise that took science from the laboratory and into combat with an entirely new type of weapon. The monograph concludes with a discussion of the immediate postwar period, the debate over the Atomic Energy Act of 1946, and the founding of the Atomic Energy Commission.

  8. The Manhattan Project: Making the Atomic Bomb. 1999 edition.

    Science.gov (United States)

    Gosling, F. G.

    1999-01-01

    "The Manhattan Project: Making the Atomic Bomb" is a short history of the origins and development of the American atomic bomb program during World War II. Beginning with the scientific developments of the pre-war years, the monograph details the role of the United States government in conducting a secret, nationwide enterprise that took science from the laboratory and into combat with an entirely new type of weapon. The monograph concludes with a discussion of the immediate postwar period, the debate over the Atomic Energy Act of 1946, and the founding of the Atomic Energy Commission.

  9. Atom Skimmers and Atom Lasers Utilizing Them

    Science.gov (United States)

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

    2005-01-01

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

  10. Extrapolation of the Bethe equation for electron stopping powers to intermediate and low electron energies by empirical simulation of target effective mean excitation energy and atomic number

    Energy Technology Data Exchange (ETDEWEB)

    Maglevanny, I.I., E-mail: sianko@list.ru [Volgograd State Social Pedagogical University, 27 Lenin Avenue, Volgograd 400131 (Russian Federation); Smolar, V.A.; Nguyen, H.T.T. [Volgograd State Technical University, 28 Lenin Avenue, Volgograd 400131 (Russian Federation)

    2013-12-01

    A series of simple stopping power (SP) formulas, modified from the relativistic Bethe equation, is presented that is based on the concepts of target effective atomic number and mean excitation energy (MEE). The analytical model function is constructed to approximate experimental or calculated SPs at low electron energies and tend asymptotically to the relativistic Bethe function at high energies. The energy dependencies of our effective values, in contrast with theoretical approaches, are defined empirically by parametrization with tuning parameters. A least-squares fitting routine based on the Levenberg–Marquardt algorithm was developed. We utilize the material parameters and numerical calculations of SPs from optical data using the full Penn-algorithm. Our formula is thought to be applicable for energies above 60 eV. Our simulations of SPs for 41 elemental solids are found to be in good agreement with published numerical results. The flexibility of a general empirical formula is shown. Shortened formulas were developed that are applicable for particular energy ranges, and effective MEEs are proposed that differ from previously recommended values. The presented formulas may be used for analytical calculation of SPs over a broad projectile energy region.

  11. Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights

    Energy Technology Data Exchange (ETDEWEB)

    Mussard, Bastien, E-mail: bastien.mussard@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, Institut du Calcul et de la Simulation, F-75005 Paris (France); Sorbonne Universités, UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris (France); CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris (France); Reinhardt, Peter; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris (France); CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris (France); Ángyán, János G. [CRM2, Institut Jean Barriol, Université de Lorraine, F-54506 Vandoeuvre-lés-Nancy (France); CRM2, Institut Jean Barriol, CNRS, F-54506 Vandoevre-lés-Nancy (France)

    2015-04-21

    We consider several spin-unrestricted random-phase approximation (RPA) variants for calculating correlation energies, with and without range separation, and test them on datasets of atomization energies and reaction barrier heights. We show that range separation greatly improves the accuracy of all RPA variants for these properties. Moreover, we show that a RPA variant with exchange, hereafter referred to as RPAx-SO2, first proposed by Szabo and Ostlund [J. Chem. Phys. 67, 4351 (1977)] in a spin-restricted closed-shell formalism, and extended here to a spin-unrestricted formalism, provides on average the most accurate range-separated RPA variant for atomization energies and reaction barrier heights. Since this range-separated RPAx-SO2 method had already been shown to be among the most accurate range-separated RPA variants for weak intermolecular interactions [J. Toulouse et al., J. Chem. Phys. 135, 084119 (2011)], this works confirms range-separated RPAx-SO2 as a promising method for general chemical applications.

  12. A New Determination of the Binding Energy of Atomic Oxygen on Dust Grain Surfaces: Experimental Results and Simulations

    CERN Document Server

    He, Jiao; Hopkins, Tyler; Vidali, Gianfranco; Kaufman, Michael J

    2015-01-01

    The energy to desorb atomic oxygen from an interstellar dust grain surface, $E_{\\rm des}$, is an important controlling parameter in gas-grain models; its value impacts the temperature range over which oxygen resides on a dust grain. However, no prior measurement has been done of the desorption energy. We report the first direct measurement of $E_{\\rm des}$ for atomic oxygen from dust grain analogs. The values of $E_{\\rm des}$ are $1660\\pm 60$~K and $1850\\pm 90$~K for porous amorphous water ice and for a bare amorphous silicate film, respectively, or about twice the value previously adopted in simulations of the chemical evolution of a cloud. We use the new values to study oxygen chemistry as a function of depth in a molecular cloud. For $n=10^4$ cm$^{-3}$ and $G_0$=10$^2$ ($G_0$=1 is the average local interstellar radiation field), the main result of the adoption of the higher oxygen binding energy is that H$_2$O can form on grains at lower visual extinction $A_{\\rm V}$, closer to the cloud surface. A higher ...

  13. Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights

    CERN Document Server

    Mussard, Bastien; Angyan, Janos; Toulouse, Julien

    2015-01-01

    We consider several spin-unrestricted random-phase approximation (RPA) variants for calculating correlation energies, with and without range separation, and test them on datasets of atomization energies and reaction barrier heights. We show that range separation greatly improves the accuracy of all RPA variants for these properties. Moreover, we show that a RPA variant with exchange, hereafter referred to as RPAx-SO2, first proposed by Sz-abo and Ostlund [A. Szabo and N. S. Ostlund, J. Chem. Phys. 67, 4351 (1977)] in a spin-restricted closed-shell formalism, and extended here to a spin-unrestricted formalism, provides on average the most accurate range-separated RPA variant for atomization energies and reaction barrier heights. Since this range-separated RPAx-SO2 method had already been shown to be among the most accurate range-separated RPA variants for weak intermolecular interactions [J. Toulouse, W. Zhu, A. Savin, G. Jansen, and J. G. {\\'A}ngy{\\'a}n, J. Chem. Phys. 135, 084119 (2011)], this works confirms...

  14. Solar-energy conversion and light emission in an atomic monolayer p-n diode.

    Science.gov (United States)

    Pospischil, Andreas; Furchi, Marco M; Mueller, Thomas

    2014-04-01

    The limitations of the bulk semiconductors currently used in electronic devices-rigidity, heavy weight and high costs--have recently shifted the research efforts to two-dimensional atomic crystals such as graphene and atomically thin transition-metal dichalcogenides. These materials have the potential to be produced at low cost and in large areas, while maintaining high material quality. These properties, as well as their flexibility, make two-dimensional atomic crystals attractive for applications such as solar cells or display panels. The basic building blocks of optoelectronic devices are p-n junction diodes, but they have not yet been demonstrated in a two-dimensional material. Here, we report a p-n junction diode based on an electrostatically doped tungsten diselenide (WSe2) monolayer. We present applications as a photovoltaic solar cell, a photodiode and a light-emitting diode, and obtain light-power conversion and electroluminescence efficiencies of ∼ 0.5% and ∼ 0.1%, respectively. Given recent advances in the large-scale production of two-dimensional crystals, we expect them to profoundly impact future developments in solar, lighting and display technologies.

  15. 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.

  16. 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.

  17. Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, A.J. [Colorado School of Mines, Golden, CO (United States); Berry, G.; Rockett, A. [Univ. of Illinois, Urbana-Champaign, IL (United States)] [and others

    1997-04-01

    Core-level and valence band photoemission from semiconductors has been shown to exhibit binding energy differences between surface atoms and bulk atoms, thus allowing one to unambiguously distinguish between the two atomic positions. Quite clearly, surface atoms experience a potential different from the bulk due to the lower coordination number - a characteristic feature of any surface is the incomplete atomic coordination. Theoretical accounts of this phenomena are well documented in the literature for III-V and II-VI semiconductors. However, surface state energies corresponding to the equilibrium geometry of (100) and (111) surfaces of Cu-based ternary chalcopyrite semiconductors have not been calculated or experimental determined. These compounds are generating great interest for optoelectronic and photovoltaic applications, and are an isoelectronic analog of the II-VI binary compound semiconductors. Surface core-level binding energy shifts depend on the surface cohesive energies, and surface cohesive energies are related to surface structure. For ternary compound semiconductor surfaces, such as CuInSe{sub 2}, one has the possibility of variations in surface stoichiometry. Applying standard thermodynamical calculations which consider the number of individual surface atoms and their respective chemical potentials should allow one to qualitatively determine the magnitude of surface core-level shifts and, consequently, surface state energies.

  18. Properties of Atoms in Molecules:  Caged Atoms and the Ehrenfest Force.

    Science.gov (United States)

    Bader, Richard F W; Fang, De-Cai

    2005-05-01

    This paper uses the properties of atom X enclosed within an adamantane cage, denoted by X@C10H16, as a vehicle to introduce the Ehrenfest force into the discussion of bonding, the properties being determined by the physics of an open system. This is the force acting on an atom in a molecule and determining the potential energy appearing in Slater's molecular virial theorem. The Ehrenfest force acting across the interatomic surface of a bonded pair atoms [Formula: see text] atoms linked by a bond path [Formula: see text] is attractive, each atom being drawn toward the other, and the associated surface virial that measures the contribution to the energy arising from the formation of the surface is stabilizing. It is the Ehrenfest force that determines the adhesive properties of surfaces. The endothermicity of formation for X = He or Ne is not a result of instabilities incurred in the interaction of X with the four methine carbons to which it is bonded, interactions that are stabilizing both in terms of the changes in the atomic energies and in the surface virials. The exothermicity for X = Be(2+), B(3+), and Al(3+) is a consequence of the transfer of electron density from the hydrogen atoms to the carbon and X atoms, the exothermicity increasing with charge transfer despite an increase in the contained volume of X.

  19. Energy Security Requires Diversity: An Argument for The Defense Production Act Title III Biofuel Initiative

    Science.gov (United States)

    2013-06-19

    visited 15 July, 2013). 55 Production of alcohol from biomass by way of fermentation of plant sugars creates ethanol. Ethanol can be used in...synthetic fuel demonstration plants . 110 The act authorized the Secretary of the Interior to construct and operate plants which would convert coal...unanticipated operating problems and the construction of plants large enough to operate at a commercial scale. Setting national goals for synthetic fuel

  20. Atomic-resolution chemical mapping of ordered precipitates in Al alloys using energy-dispersive X-ray spectroscopy.

    Science.gov (United States)

    Wenner, Sigurd; Jones, Lewys; Marioara, Calin D; Holmestad, Randi

    2017-05-01

    Scanning transmission electron microscopy (STEM) coupled with energy-dispersive X-ray spectroscopy (EDS) is a common technique for chemical mapping in thin samples. Obtaining high-resolution elemental maps in the STEM is jointly dependent on stepping the sharply focused electron probe in a precise raster, on collecting a significant number of characteristic X-rays over time, and on avoiding damage to the sample. In this work, 80kV aberration-corrected STEM-EDS mapping was performed on ordered precipitates in aluminium alloys. Probe and sample instability problems are handled by acquiring series of annular dark-field (ADF) images and simultaneous EDS volumes, which are aligned and non-rigidly registered after acquisition. The summed EDS volumes yield elemental maps of Al, Mg, Si, and Cu, with sufficient resolution and signal-to-noise ratio to determine the elemental species of each atomic column in a periodic structure, and in some cases the species of single atomic columns. Within the uncertainty of the technique, S and β" phases were found to have pure elemental atomic columns with compositions Al2CuMg and Al2Mg5Si4, respectively. The Q' phase showed some variation in chemistry across a single precipitate, although the majority of unit cells had a composition Al6Mg6Si7.2Cu2.

  1. 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.

  2. Requirements and impacts of the Federal Facility Compliance Act on the Department of Energy

    Energy Technology Data Exchange (ETDEWEB)

    Chang, L.; Tripp, S.C. [Dept. of Energy, Washington, DC (United States). Office of Environmental Restoration and Waste Management

    1993-03-01

    The Federal Facilities Compliance Act (FFCA, the Act) was signed into law on October 6, 1992, primarily as a means of waiving sovereign immunity for federal facilities with respect to requirements under the Resource Conservation and Recovery Act. DOE`s implementation of the FFCA will have significant effects on current and future DOE waste management operations. DOE will need to rethink its strategy in the area of future compliance agreements to ensure commitments and deliverables are made consistent throughout the different DOE facilities. Several types of agreements that address mixed waste land disposal restriction (LDR) compliance have already been signed by both DOE and the regulators. These agreements are in place at the Hanford Reservation, the Savannah River Site, the Oak Ridge Reservation (Oak Ridge National Laboratory, K-25, Y-12), and the Paducah Gaseous Diffusion Plant. The Rocky Flats Agreement is now being renegotiated. Los Alamos National Laboratory, Sandia/Albuquerque National Laboratory, Lawrence Livermore National Laboratory, and Idaho National Engineering Laboratory agreements are in progress. Major components of the FFCA include provisions on: sovereign immunity waiver; cost reimbursements; mixed waste requirements, including inventory reports on mixed waste and treatment capacity and technologies; and plans for the development of treatment capacities and technologies. Each of these components is discussed within this paper.

  3. Calculation of activation energies for hydrogen-atom abstractions by radicals containing carbon triple bonds

    Science.gov (United States)

    Brown, R. L.; Laufer, A. H.

    1981-01-01

    Activation energies are calculated by the bond-energy-bond-order (BEBO) and the bond-strength-bond-length (BSBL) methods for the reactions of C2H radicals with H2, CH4, and C2H6 and for the reactions of CN radicals with H2 and CH4. The BSBL technique accurately predicts the activation energies for these reactions while the BEBO method yields energies averaging 9 kcal higher than those observed. A possible reason for the disagreement is considered.

  4. Ionization and charge transfer in high-energy ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Schlachter, A.S.; Berkner, K.H.; Stearns, J.W.; Schmidt-Boecking, H.; Kelbch, S.; Ullrich, J.; Hagmann, S.; Richard, P.; Stockli, M.P.; Graham, W.G.

    1986-11-01

    Electron capture and loss by fast highly charged ions in a gas target, and ionization of the target by passage of the fast projectile beam, are fundamental processes in atomic physics. These processes, along with excitation, can be experimentally studied separately (''singles'') or together (''coincidence''). This paper is a review of recent results on singles measurements for electron capture and loss and for target ionization, for velocities which are generally high relative to the active electron, including recent ionization measurements for a nearly relativistic projectile. 11 refs., 6 figs.

  5. Low energy (anti)atoms for precision tests of basic physics

    CERN Document Server

    Silveira, D M; Veloso, M; Cesar, C L

    2001-01-01

    Recent advances in techniques to manipulate and study, with high precision, atomic hydrogen, from one hand, and successful trapping schemes for positrons and antiprotons, from the other hand, have encouraged the pursuit of experiments to test CPT violation and the weak equivalence principle (WEP) through the comparison of hydrogen and antihydrogen. A description of the hydrogen trap and laser system being built in Rio, to trap and perform high resolution spectroscopy on cold hydrogen, is presented along with a discussion on the techniques and experimental system being implemented by the ATHENA collaboration at CERN to produce cold antihydrogen. A new technique to make a cold antihydrogen beam is proposed. (25 refs).

  6. Selected text of Atomic Energy Act, Executive Orders and other laws of general interest to safeguards and security executives

    Energy Technology Data Exchange (ETDEWEB)

    Cadwell, J.J.; Ruger, C.J.

    1995-12-01

    This document is one of a three report set, BNL 52201 contains detailed information for use by executives. BNL 52202 is titled, U.S. Statutes of General Interest to Safeguards and Security Officers, and contains less detail than BNL 52201. It is intended for use by officers. BNL 52203 is titled, U.S.Statutes for Enforcement by Security Inspectors, and only contains statutes to be applied by uniformed security inspectors. These are a newly updated version of a set of documents of similar titles published in September 1988, which were an updated version of an original set of documents published in November 1983.

  7. Calibration of a new experimental chamber for PIXE analysis at the Accelerator Facilities Division of Atomic Energy Centre Dhaka (AECD)

    Energy Technology Data Exchange (ETDEWEB)

    Hassan, Md. Taufique, E-mail: thassan@tulane.edu [Department of Physics, University of Dhaka (Bangladesh); Shariff, Md. Asad [Tandem Accelerator Facilities division, INST, AERE, Savar (Bangladesh); Hossein, Amzad; Abedin, Md. Joynal [Accelerator Facilities division, AECD (Bangladesh); Fazlul Hoque, A.K.M. [Daffodil International University, Dhaka (Bangladesh); Chowdhuri, M.S. [Department of Physics, University of Dhaka (Bangladesh)

    2015-05-01

    A new experimental chamber has been installed at the 3 MV Van de Graaff Accelerator Facilities Division in the Atomic Energy Centre, Dhaka, to perform different Ion Beam Analysis (IBA) techniques. The calibration of this new setup for Particle Induced X-ray Emission (PIXE) technique has been done using a set of thin MicroMatter standards and GUPIX (PIXE spectrum analysis software), which is explicated in this paper. The effective thicknesses of the beryllium window of the X-ray detector and of the different absorbers used were determined. For standardization, the so called instrumental constant H (product of detector solid angle and the correction factor for the setup) as function of X-ray energy were determined and stored inside the GUPIX library for further PIXE analysis.

  8. Incipient manifestation of the shell structure of atoms within the WDA model for the exchange and kinetic energy density functionals

    Science.gov (United States)

    Glossman, M. D.; Balbás, L. C.; Alonso, J. A.

    1995-07-01

    The radial electron density obtained for all the atoms of the main groups of the Periodic Table through the solution of the Euler equation associated with the nonlocal weighted density approximation (WDA) for the exchange and kinetic energy density functionals shows an incipient shell structure which is absent in other calculations using kinetic energy functionals based on the electronic density. The WDA radial density reveals two local maxima and the position of the first maximum correlates with the position of the maximum for the 1s orbital in the Hartree-Fock approximation. The cusp condition at the nucleus is fulfilled accurately. Also we study the density-based electron localization function (DELF) as a complementary procedure for the visualization of shells.

  9. Recovery Act - CAREER: Sustainable Silicon -- Energy-Efficient VLSI Interconnect for Extreme-Scale Computing

    Energy Technology Data Exchange (ETDEWEB)

    Chiang, Patrick [Oregon State Univ., Corvallis, OR (United States)

    2014-01-31

    The research goal of this CAREER proposal is to develop energy-efficient, VLSI interconnect circuits and systems that will facilitate future massively-parallel, high-performance computing. Extreme-scale computing will exhibit massive parallelism on multiple vertical levels, from thou­ sands of computational units on a single processor to thousands of processors in a single data center. Unfortunately, the energy required to communicate between these units at every level (on­ chip, off-chip, off-rack) will be the critical limitation to energy efficiency. Therefore, the PI's career goal is to become a leading researcher in the design of energy-efficient VLSI interconnect for future computing systems.

  10. 77 FR 13360 - Energy Employees Occupational Illness Compensation Program Act of 2000, as Amended

    Science.gov (United States)

    2012-03-06

    ... Facilities Pacific Proving Ground Bikini and Enewetak Atolls 1946-1962. (now part of the Republic of the...://www.hss.energy.gov/healthsafety/fwsp/advocacy/faclist/findfacility.cfm ) that provides information...

  11. Coordination of the U.S. DOE-Argentine National Atomic Energy Commission (CNEA) science and technology implementing arrangement. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Ebadian, M.A.

    1998-01-01

    In 1989, the US Department of Energy (DOE) established the Office of Environmental Management (EM) and delegated to the office the responsibility of cleaning up the US nuclear weapons complex. EM`s mission has three primary activities: (1) to assess, remediate, and monitor contaminated sites and facilities; (2) to store, treat, and dispose of wastes from past and current operations; and (3) to develop and implement innovative technologies for environmental remediation. To this end, EM has established domestic and international cooperative technology development programs, including one with the Republic of Argentina. Cooperating with Argentine scientific institutes and industry meets US cleanup objectives by: (1) identifying and accessing Argentine EM-related technologies, thereby leveraging investments and providing cost-savings; (2) improving access to technical information, scientific expertise, and technologies applicable to EM needs; and (3) fostering the development of innovative environmental technologies by increasing US private sector opportunities in Argentina in EM-related areas. Florida International University`s Hemispheric Center for Environmental Technology (FIU-HCET) serves as DOE-OST`s primary technology transfer agent. FIU-HCET acts as the coordinating and managing body for the Department of Energy (DOE)-Argentina National Atomic Energy Commission (CNEA) Arrangement. Activities include implementing standard operating procedures, tracking various technical projects, hosting visiting scientists, advising DOE of potential joint projects based on previous studies, and demonstrating/transferring desired technology. HCET hosts and directs the annual Joint Coordinating Committee for Radioactive and Mixed Waste Management meeting between the DOE and CNEA representatives. Additionally, HCET is evaluating the possibility of establishing similar arrangements with other Latin American countries.

  12. Spectral and Atomic Physics Analysis of Xenon L-Shell Emission From High Energy Laser Produced Plasmas

    Science.gov (United States)

    Thorn, Daniel; Kemp, G. E.; Widmann, K.; Benjamin, R. D.; May, M. J.; Colvin, J. D.; Barrios, M. A.; Fournier, K. B.; Liedahl, D.; Moore, A. S.; Blue, B. E.

    2016-10-01

    The spectrum of the L-shell (n =2) radiation in mid to high-Z ions is useful for probing plasma conditions in the multi-keV temperature range. Xenon in particular with its L-shell radiation centered around 4.5 keV is copiously produced from plasmas with electron temperatures in the 5-10 keV range. We report on a series of time-resolved L-shell Xe spectra measured with the NIF X-ray Spectrometer (NXS) in high-energy long-pulse (>10 ns) laser produced plasmas at the National Ignition Facility. The resolving power of the NXS is sufficiently high (E/ ∂E >100) in the 4-5 keV spectral band that the emission from different charge states is observed. An analysis of the time resolved L-shell spectrum of Xe is presented along with spectral modeling by detailed radiation transport and atomic physics from the SCRAM code and comparison with predictions from HYDRA a radiation-hydrodynamics code with inline atomic-physics from CRETIN. This work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

  13. Angular distribution of sputtered atoms induced by low-energy heavy ion bombardment

    Institute of Scientific and Technical Information of China (English)

    ZHANG Lai; ZHANG Zhu-Lin

    2004-01-01

    The sputtering yield angular distributions have been calculated based on the ion energy dependence of total sputtering yields for Ni and Motargets bombarded by low-energy Hg+ ion. The calculated curves show excellent agreement with the corresponding Wehner's experimental results of sputtering yield angular distribution. The fact clearly demonstrated the intrinsic relation between the ion energy dependence of total sputtering yields and the sputtering yield angular distribution. This intrinsic relation had been ignored in Yamamura's papers (1981,1982) due to some obvious mistakes.

  14. Can Culture Act as an Enabler to Innovation? Exploring the Germany-Ontario Experience Regarding the Introduction of Green Energy

    Directory of Open Access Journals (Sweden)

    Bill Irwin

    2015-02-01

    Full Text Available This paper explores the role that societal culture may play in terms of acting as an inhibitor or enabler when creating conditions conducive to innovative enterprise. To further understanding of this concept, the paper's authors explore different cultural influences and traditions of the country of Germany and the Canadian province of Ontario against the backdrop of the introduction of a government green energy policy and how local business reacts to new opportunities forthcoming from this shift in policy direction. The authors contend that the current Ontario psyche has contributed to an overall cultural drag on innovative activities. They demonstrate that in no place is this cultural impact more evident than the apparent lack of home-grown innovative activity surrounding green energy entrepreneurship; where, in spite of progressive and favourable provincial government policy, continued manufacturing growth is led by offshore companies The Ontario experience is in sharp contrast to current and historical German activity, when it comes to local innovation and advances in green energy. While Germany officially enacted their green energy act at the turn of the last century, experts agree that the German tenure with going green is in fact 35 to 40 years in the making. Although it has been contended that unique historical conditions such as postwar reconstruction and the reunification of the former East and West Germany have been significant contributing factors to Germany's embracing of sustainable energy, the authors of this paper contend that cultural factors such as the German sense of naturfreund; an overwhelming sense of being a nature-lover, may also play a significant role. In their exploration the authors build upon Hofstede's cultural dimension theory unpacking specific cultural components, as they compare actions and responses made by German and Ontarian policy-makers and business decision-makers.

  15. Energy technology scenarios for use in water resources assessments under Section 13a of the Federal Nonnuclear Energy Research and Development Act

    Energy Technology Data Exchange (ETDEWEB)

    None

    1980-10-01

    This document presents two estimates of future growth of emerging energy technology in the years 1985, 1990, and 2000 to be used as a basis for conducting Water Resources Council assessments as required by the Nonnuclear Energy Research and Development Act of 1974. The two scenarios are called the high world oil price (HWOP) and low world oil price (LWOP) cases. A national-level summary of the ASA tabulations is shown in Appendix A; the scenarios are presented at the ASA level of detail in Appendix B. The two scenarios were generally derived from assumptions of the Second National Energy Plant (NEP II), including estimates of high and low world oil price cases, growth rate of GNP, and related economic parameters. The overall national energy growth inherent in these assumptions was expressed as a detailed projection of various energy fuel cycles through use of the Fossil-2 model and regionalized through use of the Strategic Environmental Assessment System (SEAS). These scenarios are for the use of regional analysts in examining the availability of water for and the potential impacts of future growth of emerging energy technology in selected river basins of the Nation, as required by Section 13(a).

  16. Prediction of Tetraoxygen Reaction Mechanism with Sulfur Atom on the Singlet Potential Energy Surface

    Directory of Open Access Journals (Sweden)

    Ashraf Khademzadeh

    2014-01-01

    Full Text Available The mechanism of S+O4 (D2h reaction has been investigated at the B3LYP/6-311+G(3df and CCSD levels on the singlet potential energy surface. One stable complex has been found for the S+O4 (D2h reaction, IN1, on the singlet potential energy surface. For the title reaction, we obtained four kinds of products at the B3LYP level, which have enough thermodynamic stability. The results reveal that the product P3 is spontaneous and exothermic with −188.042 and −179.147 kcal/mol in Gibbs free energy and enthalpy of reaction, respectively. Because P1 adduct is produced after passing two low energy level transition states, kinetically, it is the most favorable adduct in the 1S+1O4 (D2h atmospheric reactions.

  17. Long-range correlation energy calculated from coupled atomic response functions

    CERN Document Server

    Ambrosetti, Alberto; DiStasio, Robert A; Tkatchenko, Alexandre

    2013-01-01

    An accurate determination of the electron correlation energy is essential for describing the structure, stability, and function in a wide variety of systems, ranging from gas-phase molecular assemblies to condensed matter and organic/inorganic interfaces. Even small errors in the correlation energy can have a large impact on the description of chemical and physical properties in the systems of interest. In this context, the development of efficient approaches for the accurate calculation of the long-range correlation energy (and hence dispersion) is the main challenge. In the last years a number of methods have been developed to augment density functional approximations via dispersion energy corrections, but most of these approaches ignore the intrinsic many-body nature of correlation effects, leading to inconsistent and sometimes even qualitatively incorrect predictions. Here we build upon the recent many-body dispersion (MBD) framework, which is intimately linked to the random-phase approximation for the co...

  18. Recovery Act: Energy Efficiency of Data Networks through Rate Adaptation (EEDNRA) - Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Matthew Andrews; Spyridon Antonakopoulos; Steve Fortune; Andrea Francini; Lisa Zhang

    2011-07-12

    This Concept Definition Study focused on developing a scientific understanding of methods to reduce energy consumption in data networks using rate adaptation. Rate adaptation is a collection of techniques that reduce energy consumption when traffic is light, and only require full energy when traffic is at full provisioned capacity. Rate adaptation is a very promising technique for saving energy: modern data networks are typically operated at average rates well below capacity, but network equipment has not yet been designed to incorporate rate adaptation. The Study concerns packet-switching equipment, routers and switches; such equipment forms the backbone of the modern Internet. The focus of the study is on algorithms and protocols that can be implemented in software or firmware to exploit hardware power-control mechanisms. Hardware power-control mechanisms are widely used in the computer industry, and are beginning to be available for networking equipment as well. Network equipment has different performance requirements than computer equipment because of the very fast rate of packet arrival; hence novel power-control algorithms are required for networking. This study resulted in five published papers, one internal report, and two patent applications, documented below. The specific technical accomplishments are the following: • A model for the power consumption of switching equipment used in service-provider telecommunication networks as a function of operating state, and measured power-consumption values for typical current equipment. • An algorithm for use in a router that adapts packet processing rate and hence power consumption to traffic load while maintaining performance guarantees on delay and throughput. • An algorithm that performs network-wide traffic routing with the objective of minimizing energy consumption, assuming that routers have less-than-ideal rate adaptivity. • An estimate of the potential energy savings in service-provider networks

  19. Energy Quantization and Probability Density of Electron in Intense-Field-Atom Interactions

    Institute of Scientific and Technical Information of China (English)

    敖淑艳; 程太旺; 李晓峰; 吴令安; 付盘铭

    2003-01-01

    We find that, due to the quantum correlation between the electron and the field, the electronic energy becomes quantized also, manifesting the particle aspect of light in the electron-light interaction. The probability amplitude of finding electron with a given energy is given by a generalized Bessel function, which can be represented as a coherent superposition of contributions from a few electronic quantum trajectories. This concept is illustrated by comparing the spectral density of the electron with the laser assisted recombination spectrum.

  20. 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

  1. Modeling Innovative Power Take-Off Based on Double-Acting Hydraulic Cylinders Array for Wave Energy Conversion

    Directory of Open Access Journals (Sweden)

    Juan Carlos Antolín-Urbaneja

    2015-03-01

    Full Text Available One of the key systems of a Wave Energy Converter for extraction of wave energy is the Power Take-Off (PTO device. This device transforms the mechanical energy of a moving body into electrical energy. This paper describes the model of an innovative PTO based on independently activated double-acting hydraulic cylinders array. The model has been developed using a simulation tool, based on a port-based approach to model hydraulics systems. The components and subsystems used in the model have been parameterized as real components and their values experimentally obtained from an existing prototype. In fact, the model takes into account most of the hydraulic losses of each component. The simulations show the flexibility to apply different restraining torques to the input movement depending on the geometrical configuration and the hydraulic cylinders on duty, easily modified by a control law. The combination of these two actions allows suitable flexibility to adapt the device to different sea states whilst optimizing the energy extraction. The model has been validated using a real test bench showing good correlations between simulation and experimental tests.

  2. A comprehensive flexoelectric model for droplet interface bilayers acting as sensors and energy harvesters

    Science.gov (United States)

    Kancharala, Ashok; Freeman, Eric; Philen, Michael

    2016-10-01

    Droplet interface bilayers have found applications in the development of biologically-inspired mechanosensors. In this research, a comprehensive flexoelectric framework has been developed to predict the mechanoelectric capabilities of the biological membrane under mechanical excitation for sensing and energy harvesting applications. The dynamic behavior of the droplets has been modeled using nonlinear finite element analysis, coupled with a flexoelectric model for predicting the resulting material polarization. This coupled model allows for the prediction of the mechanoelectrical response of the droplets under excitation. Using the developed framework, the potential for sensing and energy harvesting through lipid membranes is investigated.

  3. The H + OCS hot atom reaction - CO state distributions and translational energy from time-resolved infrared absorption spectroscopy

    Science.gov (United States)

    Nickolaisen, Scott L.; Cartland, Harry E.

    1993-01-01

    Time-resolved infrared diode laser spectroscopy has been used to probe CO internal and translational excitation from the reaction of hot H atoms with OCS. Product distributions should be strongly biased toward the maximum 1.4 eV collision energy obtained from 278 nm pulsed photolysis of HI. Rotations and vibrations are both colder than predicted by statistical density of states theory, as evidenced by large positive surprisal parameters. The bias against rotation is stronger than that against vibration, with measurable population as high as v = 4. The average CO internal excitation is 1920/cm, accounting for only 13 percent of the available energy. Of the energy balance, time-resolved sub-Doppler line shape measurements show that more than 38 percent appears as relative translation of the separating CO and SH fragments. Studies of the relaxation kinetics indicate that some rotational energy transfer occurs on the time scale of our measurements, but the distributions do not relax sufficiently to alter our conclusions. Vibrational distributions are nascent, though vibrational relaxation of excited CO is unusually fast in the OCS bath, with rates approaching 3 percent of gas kinetic for v = 1.

  4. Development of electrostatic supercapacitors by atomic layer deposition on nanoporous anodic aluminium oxides for energy harvesting applications

    Directory of Open Access Journals (Sweden)

    Lucia eIglesias

    2015-03-01

    Full Text Available Nanomaterials can provide innovative solutions for solving the usual energy harvesting and storage drawbacks that take place in conventional energy storage devices based on batteries or electrolytic capacitors, because they are not fully capable for attending the fast energy demands and high power densities required in many of present applications. Here, we report on the development and characterization of novel electrostatic supercapacitors made by conformal Atomic Layer Deposition on the high open surface of nanoporous anodic alumina membranes employed as templates. The structure of the designed electrostatic supercapacitor prototype consists of successive layers of Aluminium doped Zinc Oxide, as the bottom and top electrodes, together Al2O3 as the intermediate dielectric layer. The conformality of the deposited conductive and dielectric layers, together with their composition and crystalline structure have been checked by XRD and electron microscopy techniques. Impedance measurements performed for the optimized electrostatic supercapacitor device give a high capacitance value of 200 µF/cm2 at the frequency of 40 Hz, which confirms the theoretical estimations for such kind of prototypes, and the leakage current reaches values around of 1.8 mA/cm2 at 1 V. The high capacitance value achieved by the supercapacitor prototype together its small size turns these devices in outstanding candidates for using in energy harvesting and storage applications.

  5. American Recovery and Reinvestment Act (ARRA) Federal Energy Management Program Technical Assistance Project 282 Renewable Energy Opportunities at Fort Gordon, Georgia

    Energy Technology Data Exchange (ETDEWEB)

    Boyd, Brian K.; Gorrissen, Willy J.; Hand, James R.; Horner, Jacob A.; Orrell, Alice C.; Russo, Bryan J.; Weimar, Mark R.; Williamson, Jennifer L.; Nesse, Ronald J.

    2010-09-30

    This document provides an overview of renewable resource potential at Fort Gordon, based primarily upon analysis of secondary data sources supplemented with limited on-site evaluations. This effort focuses on grid-connected generation of electricity from renewable energy sources and also on ground source heat pumps for heating and cooling buildings. The effort was funded by the American Recovery and Reinvestment Act (ARRA) as follow-on to the 2005 Department of Defense (DoD) Renewables Assessment. The site visit to Fort Gordon took place on March 9, 2010.

  6. Energy Policy Act transportation rate study: Interim report on coal transportation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-10-01

    The primary purpose of this report is to examine changes in domestic coal distribution and railroad coal transportation rates since enactment of the Clean Air Act Amendments of 1990 (CAAA90). From 1988 through 1993, the demand for low-sulfur coal increased, as a the 1995 deadline for compliance with Phase 1 of CAAA90 approached. The shift toward low-sulfur coal came sooner than had been generally expected because many electric utilities switched early from high-sulfur coal to ``compliance`` (very low-sulfur) coal. They did so to accumulate emissions allowances that could be used to meet the stricter Phase 2 requirements. Thus, the demand for compliance coal increased the most. The report describes coal distribution and sulfur content, railroad coal transportation and transportation rates, and electric utility contract coal transportation trends from 1979 to 1993 including national trends, regional comparisons, distribution patterns and regional profiles. 14 figs., 76 tabs.

  7. American Recovery and Reinvestment Act - Department of the Navy Near Term Energy-Efficient Technologies Projects

    Science.gov (United States)

    2011-06-23

    energy densities, long-duration multijunction photovoltaics for unmanned aerial vehicles, waste heat to cooled down by means of absorption environmental...plants (often called air-conditioning plants or chillers ) provide mission-critical cooling to weapons and command and control systems and for crew

  8. Theoretical characterization of the potential energy surface for H + O2 yields HO2(asterisk) yields HO + O. II - The potential for H atom exchange in HO2

    Science.gov (United States)

    Walch, Stephen P.; Rohlfing, Celeste Mcmichael

    1989-01-01

    The results of CASSCF multireference contracted CI calculations with large ANO basis sets are presented for the exchange region of the HO2 potential-energy surface. The saddle point for H atom exchange is about 13 kcal/mol below the energy of H + O2; therefore, this region of the surface should be accessible during H + O2 recombination and methathesis reactions.

  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. Atomic phase diagram

    Institute of Scientific and Technical Information of China (English)

    LI Shichun

    2004-01-01

    Based on the Thomas-Fermi-Dirac-Cheng model, atomic phase diagram or electron density versus atomic radius diagram describing the interaction properties of atoms of different kinds in equilibrium state is developed. Atomic phase diagram is established based on the two-atoms model. Besides atomic radius, electron density and continuity condition for electron density on interfaces between atoms, the lever law of atomic phase diagram involving other physical parameters is taken into account, such as the binding energy, for the sake of simplicity.

  11. Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces

    DEFF Research Database (Denmark)

    Calle-Vallejo, F.; Martínez, J. I.; García Lastra, Juan Maria;

    2012-01-01

    phenomenon between any set of adsorbates bound similarly to the surface. On the example of the near-surface alloys of Pt, we show that scalability is a result of identical variations of adsorption energies with respect to the valence configuration of both the surface components and the adsorbates....

  12. Examining Pre-Service Teachers' Use of Atomic Models in Explaining Subsequent Ionisation Energy Values

    Science.gov (United States)

    Wheeldon, Ruth

    2012-01-01

    Chemistry students' explanations of ionisation energy phenomena often involve a number of non-scientific or inappropriate ideas being used to form causality arguments. Research has attributed this to many science teachers using these ideas themselves (Tan and Taber, in "J Chem Educ" 86(5):623-629, 2009). This research extends this work by…

  13. Energy transport corridors: the potential role of Federal lands in states identified by the Energy Policy Act of 2005, section 368(b).

    Energy Technology Data Exchange (ETDEWEB)

    Krummel, J.; Hlohowskyj, I.; Kuiper, J.; Kolpa, R.; Moore, R.; May, J.; VanKuiken, J.C.; Kavicky, J.A.; McLamore, M.R.; Shamsuddin, S. (Decision and Information Sciences); ( EVS)

    2011-09-01

    On August 8, 2005, the President signed the Energy Policy Act of 2005 (EPAct) into law. In Subtitle F of EPAct, Congress set forth various provisions that would change the way certain federal agencies (Agencies) coordinate to authorize the use of land for a variety of energy-related purposes. As part of Subtitle F of EPAct, Section 368 addresses the issue of energy transportation corridors on federal land for oil, gas, and hydrogen pipelines, as well as electricity transmission and distribution facilities. Because of the critical importance of improving the nation's electrical transmission grid, Congress recognized that electricity transmission issues should receive added attention when the Agencies address corridor location and analysis issues. In Section 368, Congress specifically directed the Agencies to consider the need for upgraded and new facilities to deliver electricity: In carrying out [Section 368], the Secretaries shall take into account the need for upgraded and new electricity transmission and distribution facilities to (1) improve reliability; (2) relieve congestion; and (3) enhance capability of the national grid to deliver electricity. Section 368 does not require the Agencies to consider or approve specific projects, applications for rights-of-way (ROWs), or other permits within designated energy corridors. Importantly, Section 368 does not direct, license, or otherwise permit any on-the-ground activity of any sort. If an applicant is interested in obtaining an authorization to develop a project within any corridor designated under Section 368, the applicant would have to apply for a ROW authorization and applicable permits. The Agencies would consider each application by applying appropriate project-specific reviews under requirements of laws and related regulations, including, but not limited to, the National Environmental Policy Act (NEPA), the Clean Water Act, the Clean Air Act, Section 7 of the Endangered Species Act (ESA), and Section

  14. High Energy Positrons and Gamma Radiation from Decaying Constituents of a two-component Dark Atom Model

    CERN Document Server

    Belotsky, K; Kouvaris, C; Laletin, M

    2015-01-01

    We study a two component dark matter candidate inspired by the Minimal Walking Technicolor model. Dark matter consists of a dominant SIMP-like dark atom component made of bound states between primordial helium nuclei and a doubly charged technilepton, and a small WIMP-like component made of another dark atom bound state between a doubly charged technibaryon and a technilepton. This scenario is consistent with direct search experimental findings because the dominant SIMP component interacts too strongly to reach the depths of current detectors with sufficient energy to recoil and the WIMP-like component is too small to cause significant amount of events. In this context a metastable technibaryon that decays to $e^+e^+$, $\\mu^+ \\mu^+$ and $\\tau^+ \\tau^+$ can in principle explain the observed positron excess by AMS-02 and PAMELA, while being consistent with the photon flux observed by FERMI/LAT. We scan the parameters of the model and we find the best possible fit to the latest experimental data. We find that th...

  15. Evaluation of Orbital-and Ground State Energies of Some Open-and Closed-Shell Atoms over Integer and Noninteger Slater Type Orbitals

    Institute of Scientific and Technical Information of China (English)

    YAKAR,Yusuf

    2007-01-01

    Ab initio calculations of the orbital and the ground state energies of some open- and closed-shell atoms over Slater type orbitals with quantum numbers integer and Slater type orbitals with quantum numbers noninteger have been performed. In order to increase the efficiency of these calculations the atomic two-electron integrals were expressed in terms of incomplete beta function. Results were observed to be in good agreement with the literature.

  16. Calculated dipole moment and energy in collision of a hydrogen molecule and a hydrogen atom

    Science.gov (United States)

    Patch, R. W.

    1973-01-01

    Calculations were carried out using three Slater-type 1s orbitals in the orthogonalized valencebond theory of McWeeny. Each orbital exponent was optimized, the H2 internuclear distance was varied from 7.416 x 10 to the -11th power to 7.673 x 10 to the -11th power m (1.401 to 1.450 bohrs). The intermolecular distance was varied from 1 to 4 bohrs (0.5292 to 2.117 x 10 to the 10th power). Linear, scalene, and isosceles configurations were used. A weighted average of the interaction energies was taken for each intermolecular distance. Although energies are tabulated, the principal purpose was to calculate the electric dipole moment and its derivative with respect to H2 internuclear distance.

  17. Recovery Act: Integrated DC-DC Conversion for Energy-Efficient Multicore Processors

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, Kenneth L

    2013-03-31

    In this project, we have developed the use of thin-film magnetic materials to improve in energy efficiency of digital computing applications by enabling integrated dc-dc power conversion and management with on-chip power inductors. Integrated voltage regulators also enables fine-grained power management, by providing dynamic scaling of the supply voltage in concert with the clock frequency of synchronous logic to throttle power consumption at periods of low computational demand. The voltage converter generates lower output voltages during periods of low computational performance requirements and higher output voltages during periods of high computational performance requirements. Implementation of integrated power conversion requires high-capacity energy storage devices, which are generally not available in traditional semiconductor processes. We achieve this with integration of thin-film magnetic materials into a conventional complementary metal-oxide-semiconductor (CMOS) process for high-quality on-chip power inductors. This project includes a body of work conducted to develop integrated switch-mode voltage regulators with thin-film magnetic power inductors. Soft-magnetic materials and inductor topologies are selected and optimized, with intent to maximize efficiency and current density of the integrated regulators. A custom integrated circuit (IC) is designed and fabricated in 45-nm CMOS silicon-on-insulator (SOI) to provide the control system and power-train necessary to drive the power inductors, in addition to providing a digital load for the converter. A silicon interposer is designed and fabricated in collaboration with IBM Research to integrate custom power inductors by chip stacking with the 45-nm CMOS integrated circuit, enabling power conversion with current density greater than 10A/mm2. The concepts and designs developed from this work enable significant improvements in performance-per-watt of future microprocessors in servers, desktops, and mobile

  18. Theoretical Investigation of Energy Storage in Atomic and Molecular Systems: Metastable Molecular Fuels

    Science.gov (United States)

    1990-12-01

    et aL’ have reported There is considerable intrinsic interest in understanding experimental evidence by neutralization- reionization spec- novel...energy content are ever, from an independent neutralization- reionization ex- of potential practical significance for the development of Ijeriment... reionization mass spectra. A sdbse- part of the OH-H 2 potential has been considered by Ko- 2376 J. Chem Phys, 91 (4). 15 August 1 989 A-2 1 989 Aerfcan

  19. Low-energy quantum dynamics of atoms at defects; interstitial oxygen in silicon

    Science.gov (United States)

    Ramírez, Rafael; Herrero, Carlos P.; Artacho, Emilio; Ynduráin, Félix

    1997-04-01

    The problem of the low-energy highly anharmonic quantum dynamics of isolated impurities in solids is addressed by using path-integral Monte Carlo simulations. Interstitial oxygen in silicon is studied as a prototypical example showing such a behaviour. The assignment of a `geometry' to the defect is discussed. Depending on the potential (or on the impurity mass), there is a `classical' regime, where the maximum probability density for the oxygen nucleus is at the potential minimum. There is another regime, associated with highly anharmonic potentials, where this is not the case. The two regimes are separated by a sharp transition. Also, the decoupling of the many-nuclei problem into a one-body Hamiltonian to describe the low-energy dynamics is studied. The adiabatic potential obtained from the relaxation of all of the other degrees of freedom at each value of the coordinate associated with the low-energy motion gives the best approximation to the full many-nuclei problem.

  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. Iterative inversion of global magnetospheric information from energy neutral atom (ENA) images recorded by the TC-2/NUADU instrument

    Institute of Scientific and Technical Information of China (English)

    S.; MCKENNA-LAWLOR; S.; BARABASH; J.; BALAZ

    2008-01-01

    A method is presented for retrieving the magnetospheric ion distribution from En-ergetic Neutral Atom (ENA) measurements made by the NUADU instrument on the TC-2 spacecraft. Based on the already well-established method of constrained lin-ear inversion, an iterance technique suitable for the low count ENA measurements has been developed which is tolerant of the noise background. By the iterance technique, it is possible for the first time to simultaneously retrieve the magneto-spheric ion distribution and the exospheric neutral density, and further to recover global ENA emissions in three dimensions. The technique is applied to a repre-sentative ENA image recorded in energy channel 2 (protons: 50―81 keV) of the NUADU instrument during a major geomagnetic storm and it is, thereby, shown that the retrieval method developed provides a useful tool for extracting ion distribution information from ENA data.

  2. Iterative inversion of global magnetospheric information from energy neutral atom (ENA)images recorded by the TC-2/NUADU instrument

    Institute of Scientific and Technical Information of China (English)

    LU Li; S. MCKENNA-LAWLOR; S. BARABASH; J. BALAZ; LIU ZhenXing; SHEN Chao; CAO JinBin; ANG ChaoLing

    2008-01-01

    A method is presented for retrieving the magnetospheric ion distribution from En-ergetic Neutral Atom (ENA) measurements made by the NUADU instrument on the TC-2 spacecraft. Based on the already well-established method of constrained lin-ear inversion, an iterance technique suitable for the low count ENA measurements has been developed which is tolerant of the noise background. By the iterance technique, it is possible for the first time to simultaneously retrieve the magneto-spheric ion distribution and the exospheric neutral density, and further to recover global ENA emissions in three dimensions. The technique is applied to a repre-sentative ENA image recorded in energy channel 2 (protons: 50-81 keV) of the NUADU instrument during a major geomagnetic storm and it is, thereby, shown that the retrieval method developed provides a useful tool for extracting ion distribution information from ENA data.

  3. Development of the negative ion beams relevant to ITER and JT-60SA at Japan Atomic Energy Agency

    Energy Technology Data Exchange (ETDEWEB)

    Hanada, M., E-mail: hanada.masaya@jaea.go.jp; Kojima, A.; Tobari, H.; Nishikiori, R.; Hiratsuka, J.; Kashiwagi, M.; Umeda, N.; Yoshida, M.; Ichikawa, M.; Watanabe, K. [Japan Atomic Energy Agency, 801-1 Mukouyama, Naka-shi, Ibaraki-ken 319-0913 (Japan); Yamano, Y. [Saitama University, Saitama, Saitama-ken 338-8570 (Japan); Grisham, L. R. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States)

    2016-02-15

    In order to realize negative ion sources and accelerators to be applicable to International Thermonuclear Experimental Reactor and JT-60 Super Advanced, a large cesium (Cs)-seeded negative ion source and a multi-aperture and multi-stage electric acceleration have been developed at Japan Atomic Energy Agency (JAEA). Long pulse production and acceleration of the negative ion beams have been independently carried out. The long pulse production of the high current beams has achieved 100 s at the beam current of 15 A by modifying the JT-60 negative ion source. The pulse duration time is increased three times longer than that before the modification. As for the acceleration, a pulse duration time has been also extended two orders of magnitudes from 0.4 s to 60 s. The developments of the negative ion source and acceleration at JAEA are well in progress towards the realization of the negative ion sources and accelerators for fusion applications.

  4. Development of the negative ion beams relevant to ITER and JT-60SA at Japan Atomic Energy Agency.

    Science.gov (United States)

    Hanada, M; Kojima, A; Tobari, H; Nishikiori, R; Hiratsuka, J; Kashiwagi, M; Umeda, N; Yoshida, M; Ichikawa, M; Watanabe, K; Yamano, Y; Grisham, L R

    2016-02-01

    In order to realize negative ion sources and accelerators to be applicable to International Thermonuclear Experimental Reactor and JT-60 Super Advanced, a large cesium (Cs)-seeded negative ion source and a multi-aperture and multi-stage electric acceleration have been developed at Japan Atomic Energy Agency (JAEA). Long pulse production and acceleration of the negative ion beams have been independently carried out. The long pulse production of the high current beams has achieved 100 s at the beam current of 15 A by modifying the JT-60 negative ion source. The pulse duration time is increased three times longer than that before the modification. As for the acceleration, a pulse duration time has been also extended two orders of magnitudes from 0.4 s to 60 s. The developments of the negative ion source and acceleration at JAEA are well in progress towards the realization of the negative ion sources and accelerators for fusion applications.

  5. INDIAN SCHOOL TEACHERS’ PERSPECTIVE ON GLOBALISATION OF EDUCATION: A Case Study of Atomic Energy Education Society School Teachers

    Directory of Open Access Journals (Sweden)

    M. RAJESH

    2009-10-01

    Full Text Available Globalisation has become an enduring reality of our times and more so in the field of education. Teachers are the harbingers of change in the global economy and school teachers have a major role in shaping the attitude of the society towards all social and economic phenomena including that of globalisation. At the Regional Centre of IGNOU situated at Cochin, Kerala an unique training programme was conducted for a year to train school teachers of the Atomic Energy Education Society (AEES one of the elite educational organisations of the country in ICT applications. This opportunity was utilised by the researchers to conduct a study that holds multiple portends for policy makers to channel the direction of the forces affecting the globalisation of education.

  6. New generation polyphase resonant converter-modulators for the Korean atomic energy research institute

    Energy Technology Data Exchange (ETDEWEB)

    Reass, William A [Los Alamos National Laboratory; Baca, David M [Los Alamos National Laboratory; Gribble, Robert F [Los Alamos National Laboratory

    2009-01-01

    This paper will present operational data and performance parameters of the newest generation polyphase resonant high voltage converter modulator (HVCM) as developed and delivered to the KAERI 100 MeV ''PEFP'' accelerator [1]. The KAERI design realizes improvements from the SNS and SLAC designs [2]. To improve the IGBT switching performance at 20 kHz for the KAERI system, the HVCM utilizes the typical zero-voltage-switching (ZVS) at turn on and as well as artificial zero-current-switching (ZCS) at turn-off. The new technique of artificial ZCS technique should result in a 6 fold reduction of IGBT switching losses (3). This improves the HCVM conversion efficiency to better than 95% at full average power, which is 500 kW for the KAERI two klystron 105 kV, 50 A application. The artificial ZCS is accomplished by placing a resonant RLC circuit across the input busswork to the resonant boost transformer. This secondary resonant circuit provides a damped ''kick-back'' to assist in IGBT commutation. As the transformer input busswork is extremely low inductance (< 10 nH), the single RLC network acts like it is across each of the four IGBT collector-emitter terminals of the H-bridge switching network. We will review these topological improvements and the overall system as delivered to the KAERI accelerator and provide details of the operational results.

  7. Atomic Structure and Energy Distribution of Collapsed Carbon Nanotubes of Different Chiralities

    Directory of Open Access Journals (Sweden)

    Julia A. Baimova

    2015-01-01

    Full Text Available For carbon nanotubes of sufficiently large diameter at sufficiently low temperature, due to the action of the van der Waals forces, the ground state is a bilayer graphene with closed edges, the so-called collapsed configuration. Molecular dynamics simulation of collapsed carbon nanotubes is performed. The effect of length, diameter, and chirality of the nanotubes on their properties is investigated. It is shown that collapsed nanotubes after relaxation have rippled structure which is strongly dependent on the nanotube chirality. The structural properties are studied by calculating the radial distribution function and energy distribution along various regions in the collapsed carbon nanotubes.

  8. Development of the work on fuel cells in the Ministry for Atomic Energy of Russian Federation

    Energy Technology Data Exchange (ETDEWEB)

    Lubovin, B.Y.; Novitski, E.Z.

    1996-04-01

    This paper describes research on fuel cells in the Russian Federation. The beginning of the practical work on fuel cells in Russia dates back to the 50`s and 60`s when the Ural Electrochemical Plant and the Ural Electromechanical Plant of the Ministry of Medium Machine-Building of the USSR, all Russian Research Institute of the power sources and many other institutes of the Ministry of Electrotechnical Industry of the USSR got to the development of the alkaline fuel cells for the spaceships according to the tasks of the SPC `Energy` and for the submarines on the tasks of the Ministry of Defense.

  9. Prediction of the transition energies of atomic No and Lr by the intermediate Hamiltonian coupled cluster method

    Energy Technology Data Exchange (ETDEWEB)

    Borschevsky, A.; Eliav, E.; Kaldor, U. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv, (Israel); Vilkas, M.J.; Ishikawa, Y. [Department of Chemistry, University of Puerto Rico, P.O. Box 23346, San Juan, Puerto Rico 00931-3346 (United States)

    2007-07-01

    Complete text of publication follows: Measurements of the spectroscopic properties of the superheavy elements present a serious challenge to the experimentalist. Their short lifetimes and the low quantities of their production necessitate reliable prediction of transition energies to avoid the need for broad wavelength scans and to assist in identifying the lines. Thus, reliable high-accuracy calculations are necessary prior and parallel to experimental research. Nobelium and Lawrencium are at present the two most likely candidates for spectroscopic measurements, with the first experiments planned at GSI, Darmstadt. The intermediate Hamiltonian (IH) coupled cluster method is applied to the ionization potentials, electron affinities, and excitation energies of atomic nobelium and lawrencium. Large basis sets are used (37s31p26d21f16g11h6i). All levels of a particular atom are obtained simultaneously by diagonalizing the IH matrix. The matrix elements correspond to all excitations from correlated occupied orbitals to virtual orbitals in a large P space, and are 'dressed' by folding in excitations to higher virtual orbitals (Q space) at the coupled cluster singles-and-doubles level. Lamb-shift corrections are included. The same approach was applied to the lighter homologues of Lr and No, lutetium and ytterbium, for which many transition energies are experimentally known, in order to assess the accuracy of the calculation. The average absolute error of 20 excitation energies of Lu is 423 cm{sup -1}, and the error limits for Lr are therefore put at 700 cm{sup -1}. Predicted Lr excitations with large transition moments in the prime range for the planned experiment, 20,000-30,000 cm{sup -1}, are 7p {yields} 8s at 20,100 cm{sup -1} and 7p {yields}p 7d at 28,100 cm{sup -1}. In case of Yb, the calculated ionization potential was within 20 cm{sup -1} of the experiment, and the average error of the 20 lowest calculated excitations was about 300 cm{sup -1}. Hence, the

  10. Adjustment of the Brazilian radioprotection standards to the safety principles of the International Atomic Energy Agency; Adequacao das normas brasileiras de radioprotecao aos principios fundamentais de seguranca da International Atomic Energy Agency

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, Wagner de S.; Py Junior, Delcy de A., E-mail: pereiraws@gmail.com [Industrias Nucleares do Brasil (INB), Pocos de Caldas, MG (Brazil). Unidade de Tratamento de Minerio. Grupo Multidisciplinar de Radioprotecao; Kelecom, Alphonse, E-mail: akelecom@id.uff.br [Universidade Federal Fluminense (LARARA-PLS/GETA/UFF), Niteroi, RJ (Brazil). Grupo de Estudos em Temas Ambientais. Lab. de Radiobiologia e Radiometria Pedro Lopes dos Santos; Pereira, Juliana R. de S., E-mail: pereirarsj@gmail.com [Universidade Federal de Alfenas, Pocos de Caldas, MG (Brazil)

    2013-07-01

    The International Atomic Energy Agency (IAEA) has a recommendation with 10 basic safety principles (Fundamental Safety Principles Safety Fundamentals series, number SF-1), which are: 1) Responsibility for safety; 2) Role for government; 3) Leadership and management for safety; 4) Justification of facilities and activities; 5) Optimization of protection; 6) Limitation of risk to individuals; 7) Protection of present and futures generations; 8) Prevention of accidents; 9) Emergency preparedness and response and 10) Protection actions to reduce existing or unregulated radiations risk. The aim of this study is to verify that the Brazilian standards of radiation protection meet the principles described above and how well suited to them. The analysis of the national radiation protection regulatory system, developed and deployed by the National Nuclear Energy Commission (CNEN), showed that out of the ten items, two are covered partially, the number 2 and 10. The others are fully met. The item 2 the fact that the regulatory body (CNEN) be stock controller of a large company in the sector put in check its independence as a regulatory body. In item 10 the Brazilian standard of radiation protection does not provide explicit resolution of environmental liabilities.

  11. 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.

  12. ENTNEA: A concept for enhancing regional atomic energy cooperation for securing nuclear transparency in northeast Asia

    Energy Technology Data Exchange (ETDEWEB)

    Shin, S. T. [Korea Institute for Defence Analyses, Seoul (Korea)

    2000-11-01

    Nuclear energy continues to be a strong and growing component of economic development in Northeast Asia. A broad range of nuclear energy systems already exists across the region and vigorous growth is projected. Associated with these capabilities and plans are various concerns about operational safety, environmental protection, and accumulation of spent fuel and other nuclear materials. We consider cooperative measures that might address these concerns. The confidence building measures suggested here center on the sharing of information to lessen concerns about nuclear activities or to solve technical problems. These activities are encompassed by an Enhanced Nuclear Transparency in Northeast Asia (ENTNEA) concept that would be composed of near-term, information-sharing activities and an eventual regional institution. The near-term activities would address specific concerns and build a tradition of cooperation; examples include radiation measurements for public safety and emergency response, demonstration of safe operations at facilities and in transportation, and material security in the back end of the fuel cycle. Linkages to existing efforts and organizations would be sought to maximize the benefits of cooperation. In the longer term, the new cooperative tradition might evolve into an ENTNEA institution. In institutional form, ENTNEA could combine the near-term activities and new cooperative activities, which might require an institutional basis, for the mutual benefit and security of regional parties. 28 refs., 23 figs., 5 tabs. (Author)

  13. 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.

  14. 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)

  15. The difference of energies of Si atoms with single-crystalline, amorphous, free and nanoparticle configurations

    Science.gov (United States)

    Wang, Y. L.; Deng, Z. C.; Chu, L. Z.; Fu, G. S.; Peng, Y. C.

    2009-04-01

    Nanocrystalline silicon (nc-Si) films were systematically prepared via three ways: a) laser anneal or b) thermal anneal of the amorphous silicon (α-Si) films deposited by pulsed-laser ablation (PLA) in base vacuum, c) direct PLA in high-purity Ar gas with pressure of 10 Pa. The anneal-laser fluence, thermal-anneal temperature and ablation-laser fluence thresholds corresponding to the beginning of nanoparticles formation were respectively determined by using scanning electron microscopy (SEM), Raman and X-ray diffraction (XRD) techniques. Incorporated with crystallization mechanism, energies compensated for the formation of one Si nanoparticle in the three ways were calculated approximately. The result shows that for different crystallization ways, the potential barriers during the formation of one ~16 nm nanoparticle are on the order of 10-9 mJ.

  16. Atom beam triangulation of organic layers at 100 meV normal energy: self-assembled perylene on Ag(110) at room temperature

    CERN Document Server

    Kalashnyk, Nataliya

    2015-01-01

    The controlled growth of organic layer on surface is still awaiting for an on-line reliable monitoring that would allow improvement of its quality. We show here that the self-assembly of the perylene monolayer deposited on Ag(110) at room temperature can be tracked with low energy atoms in a regime where the energy perpendicular to the layer is less than 0.1 eV preventing damage to the layer. The image processing required for this triangulation technique with atoms is described in details.

  17. Ethanol and Acetate Acting as Carbon/Energy Sources Negatively Affect Yeast Chronological Aging

    Directory of Open Access Journals (Sweden)

    Ivan Orlandi

    2013-01-01

    Full Text Available In Saccharomyces cerevisiae, the chronological lifespan (CLS is defined as the length of time that a population of nondividing cells can survive in stationary phase. In this phase, cells remain metabolically active, albeit at reduced levels, and responsive to environmental signals, thus simulating the postmitotic quiescent state of mammalian cells. Many studies on the main nutrient signaling pathways have uncovered the strong influence of growth conditions, including the composition of culture media, on CLS. In this context, two byproducts of yeast glucose fermentation, ethanol and acetic acid, have been proposed as extrinsic proaging factors. Here, we report that ethanol and acetic acid, at physiological levels released in the exhausted medium, both contribute to chronological aging. Moreover, this combined proaging effect is not due to a toxic environment created by their presence but is mainly mediated by the metabolic pathways required for their utilization as carbon/energy sources. In addition, measurements of key enzymatic activities of the glyoxylate cycle and gluconeogenesis, together with respiration assays performed in extreme calorie restriction, point to a long-term quiescent program favoured by glyoxylate/gluconeogenesis flux contrary to a proaging one based on the oxidative metabolism of ethanol/acetate via TCA and mitochondrial respiration.

  18. Low Energy Atomic Models Suggesting a Pilus Structure that could Account for Electrical Conductivity of Geobacter sulfurreducens Pili.

    Science.gov (United States)

    Xiao, Ke; Malvankar, Nikhil S; Shu, Chuanjun; Martz, Eric; Lovley, Derek R; Sun, Xiao

    2016-03-22

    The metallic-like electrical conductivity of Geobacter sulfurreducens pili has been documented with multiple lines of experimental evidence, but there is only a rudimentary understanding of the structural features which contribute to this novel mode of biological electron transport. In order to determine if it was feasible for the pilin monomers of G. sulfurreducens to assemble into a conductive filament, theoretical energy-minimized models of Geobacter pili were constructed with a previously described approach, in which pilin monomers are assembled using randomized structural parameters and distance constraints. The lowest energy models from a specific group of predicted structures lacked a central channel, in contrast to previously existing pili models. In half of the no-channel models the three N-terminal aromatic residues of the pilin monomer are arranged in a potentially electrically conductive geometry, sufficiently close to account for the experimentally observed metallic like conductivity of the pili that has been attributed to overlapping pi-pi orbitals of aromatic amino acids. These atomic resolution models capable of explaining the observed conductive properties of Geobacter pili are a valuable tool to guide further investigation of the metallic-like conductivity of the pili, their role in biogeochemical cycling, and applications in bioenergy and bioelectronics.

  19. A STUDY ON THE UNCERTAINTY FOR THE ROUTINE DOSIMETRY SERVICE AT THE LEBANESE ATOMIC ENERGY COMMISSION USING HARSHAW 8814 DOSEMETERS.

    Science.gov (United States)

    Rizk, C; Vanhavere, F

    2016-09-01

    The personal dosimetry service at the Lebanese Atomic Energy Commission uses Harshaw 8814 cards with LiF:Mg,Ti detectors. The dosemeters are read in a Harshaw 6600 TLD reader. In the process of accreditation for the ISO 17025 standard((1)), different influence factors are investigated and the uncertainty has been determined. The Individual Monitoring Service Laboratory-LAEC reads the dosemeters once it receives them from the customer, and new cards are immediately given for the next wearing period. The wearing period is 2 months. The dosemeter results are reported to the customers without background subtraction. Both Hp(10) and Hp(0.07) are reported. For this paper, only the uncertainty on Hp(10) will be focussed. The following factors are taken into account for the uncertainty: calibration factor, dosemeter homogeneity and repeatability, energy and angular dependence, non-linearity, temperature dependence, etc. Also the detection limit was determined. One of the important factors is the correction for fading. This fading correction depends on the procedure used such as storage temperatures, the time-temperature profile of the read-out, pre-heat and annealing conditions. Pre- and post-irradiation fading curves were measured for a storage period up to 182 d at room temperature (15-25°C). The resulting final combined standard uncertainty on the reported doses is of the order of 24 % for doses of ∼1 mSv.

  20. Effect of Complex-Valued Optimal Orbitals on Atomization Energies with the Perdew-Zunger Self-Interaction Correction to Density Functional Theory.

    Science.gov (United States)

    Lehtola, Susi; Jónsson, Elvar Ö; Jónsson, Hannes

    2016-09-13

    The spurious interaction of an electron with itself-self-interaction error-is one of the biggest problems in modern density-functional theory. Some of its most glaring effects, such as qualitatively incorrect charge separation upon dissociation, can be removed by an approximate self-interaction correction due to Perdew and Zunger (PZ) (Perdew, J.; Zunger, A. Phys. Rev. B 1981, 23, 5048). However, the correction introduces an explicit dependence on the occupied orbital densities, which makes proper minimization of the functional difficult. Previous work (Vydrov et al., J. Chem. Phys. 2006, 124, 094108) has suggested that the application of the PZ correction results in worse atomization energies than those obtained with the uncorrected parent functional. But, it has only recently been found that the correct minimization of the PZ energy functional requires complex-valued orbitals, which have not been used in previous work on atomization energies. Here, we study the effect of the proper use of complex-valued orbitals on the atomization energies of molecules in the W4-11 data set (Karton, A.; Daon, S.; Martin, J. M. Chem. Phys. Lett. 2001, 510, 165). We find that the correction has a tendency to weaken the binding of molecules. The correction using complex-valued orbitals is invariably found to yield better atomization energies than the correction with real-valued orbitals. The correction applied to the PBEsol exchange-correlation functional results in a functional that is more accurate than the (uncorrected) PBE functional.

  1. Atomic data on inelastic processes in low-energy beryllium-hydrogen collisions

    Science.gov (United States)

    Yakovleva, Svetlana A.; Voronov, Yaroslav V.; Belyaev, Andrey K.

    2016-08-01

    Aims: Inelastic processes in low-energy Be + H and Be+ + H- collisions are treated for the states from the ground and up to the ionic state with the aim to provide rate coefficients needed for non-local thermodynamic equilibrium (non-LTE) modeling of beryllium spectra in cool stellar atmospheres. Methods: The electronic molecular structure is determined by using a recently proposed model quantum approach that is based on an asymptotic method. Nonadiabatic nuclear dynamics is treated by means of multichannel formulas, based on the Landau-Zener model for nonadiabatic transition probabilities. Results: The cross sections and the rate coefficients for inelastic processes in Be + H and Be+ + H- collisions are calculated for all transitions between 13 low-lying covalent states plus the ionic state. It is shown that the highest rate coefficient values correspond to the mutual neutralization processes with the final states Be(2s3s 1S), Be(2s3p 1,3P), Be(2s3d 3D). These processes, as well as some of the excitation, de-excitation and ion-pair formation processes, are likely to be important for non-LTE modeling. Tables A.1-A.10 are also available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/593/A27

  2. Energy transfer among distant quantum systems in spatially shaped laser fields: Two H atoms with the internuclear separation of 5.29 nm (100 a.u.)

    CERN Document Server

    Paramonov, Guennaddi K; Bandrauk, Andre D

    2010-01-01

    The quantum dynamics of two distant H atoms excited by ultrashort and spatially shaped laser pulses is studied by the numerical solution of the non-Born-Oppenheimer time-dependent Schr\\"odinger equation within a three-dimensional (3D) model, including the internuclear distance R and the two z coordinates of the electrons, z1 and z2. The two 1D hydrogen atoms, A and B, are assumed to be initially in their ground states with a large (but otherwise arbitrary) internuclear separation of R = 100 a.u. (5.29 nm). Two types of a spatial envelope of a laser field linearly po- larized along the z-axis are considered: (i) a broad Gaussian envelope, such that atom A is excited by the laser field predominantly, and (ii) a narrow envelope, such that practically only atom A is excited by the laser field. With the laser carrier frequency {\\omega} = 1.0 a.u. and the pulse duration tp = 5 fs, in both cases an efficient energy transfer from atom A to atom B has been found. The ionization of atom B achieved mostly after the end ...

  3. Relativistic calculations of the K-K charge transfer and K-vacancy production probabilities in low-energy ion-atom collisions

    CERN Document Server

    Tupitsyn, I I; Shabaev, V M; Bondarev, A I; Deyneka, G B; Maltsev, I A; Hagmann, S; Plunien, G; Stoehlker, Th

    2011-01-01

    The previously developed technique for evaluation of charge-transfer and electron-excitation processes in low-energy heavy-ion collisions [I.I. Tupitsyn et al., Phys. Rev. A 82, 042701(2010)] is extended to collisions of ions with neutral atoms. The method employs the active electron approximation, in which only the active electron participates in the charge transfer and excitation processes while the passive electrons provide the screening DFT potential. The time-dependent Dirac wave function of the active electron is represented as a linear combination of atomic-like Dirac-Fock-Sturm orbitals, localized at the ions (atoms). The screening DFT potential is calculated using the overlapping densities of each ions (atoms), derived from the atomic orbitals of the passive electrons. The atomic orbitals are generated by solving numerically the one-center Dirac-Fock and Dirac-Fock-Sturm equations by means of a finite-difference approach with the potential taken as the sum of the exact reference ion (atom) Dirac-Fock...

  4. Energy dependence of effective atomic numbers for photon energy absorption and photon interaction: Studies of some biological molecules in the energy range 1 keV-20 MeV

    DEFF Research Database (Denmark)

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

    2008-01-01

    Effective atomic numbers for photon energy absorption, Z(PEA,eff), and for photon interaction, Z(PI,eff), have been calculated by a direct method in the photon-energy region from 1 keV to 20 MeV for biological molecules, such as fatty acids (lauric, myristic, palmitic, stearic, oleic, linoleic...... dependence of the mass attenuation coefficient, Z(PEA, eff), and the mass energy-absorption coefficient, Z(PI, eff), is shown graphically and in tabular form. Significant differences of 17%-38% between Z(PI, eff) and Z(PEA, eff) occur in the energy region 5-100 keV. The reasons for these differences...

  5. Surface structures from low energy electron diffraction: Atoms, small molecules and an ordered ice film on metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Materer, N.F.

    1995-09-01

    We investigated the surface bonding of various adsorbates (0, S, C{sub 2}H{sub 3} and NO) along with the resulting relaxation of the Pt(111) surface using low energy electron diffiraction (LEED). LEED experiments have been performed on these ordered overlayers along with theoretical structural analysis using automated tensor LEED (ATLEED). The resulting surface structures of these ordered overlayers exhibit similar adsorbate-induced relaxations. In all cases the adsorbate occupies the fcc hollow site and induces an approximately 0.1 A buckling of the metal surface. The three metal atoms directly bonded to the adsorbate are ``pulled`` out of the surface and the metal atom that is not bound to the adsorbate is `pushed`` inward. In order to understand the reliability of such details, we have carried out a comprehensive study of various non-structural parameters used in a LEED computation. We also studied the adsorption of water on the Pt(lll) surface. We ordered an ultra thin ice film on this surface. The film`s surface is found to be the (0001) face of hexagonal ice. This surface is apparently terminated by a full-bilayer, in which the uppermost water molecules have large vibrational amplitudes even at temperatures as low as 90 K. We examined two other metal surfaces besides Pt(111): Ni(111) and Fe(lll). On Ni(111), we have studied the surface under a high coverage of NO. On both Ni(111) and Pt(111) NO molecules occupy the hollow sites and the N-0 bond distances are practically identical. The challenging sample preparation of an Fe(111) surface has been investigated and a successful procedure has been obtained. The small interlayer spacing found on Fe(111) required special treatment in the LEED calculations. A new ATLEED program has been developed to handle this surface.

  6. Role of low-energy ion irradiation in the formation of an aluminum germanate layer on a germanium substrate by radical-enhanced atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Fukuda, Yukio, E-mail: y-fukuda@rs.suwa.tus.ac.jp; Yamada, Daichi; Yokohira, Tomoya; Yanachi, Kosei [Tokyo University of Science, Suwa, 5000-1 Toyohira, Chino, Nagano 391-0292 (Japan); Yamamoto, Chiaya; Yoo, Byeonghak; Sato, Tetsuya [University of Yamanashi, 4-3-11 Takeda, Kofu, Yamanashi 400-8511 (Japan); Yamanaka, Junji [University of Yamanashi, 7-32 Miyamae, Kofu, Yamanashi 400-8511 (Japan); Takamatsu, Toshiyuki [SST Inc., 989-6 Shimadadai, Yachiyo, Chiba 276-0004 (Japan); Okamoto, Hiroshi [Hirosaki University, 3 Bunkyo, Hirosaki 036-8561 (Japan)

    2016-03-15

    Radical-enhanced atomic layer deposition uses oxygen radicals generated by a remote microwave-induced plasma as an oxidant to change the surface reactions of the alternately supplied trimethylaluminum precursor and oxygen radicals on a Ge substrate, which leads to the spontaneous formation of an aluminum germanate layer. In this paper, the effects that low-energy ions, supplied from a remote microwave plasma to the substrate along with the oxygen radicals, have on the surface reactions were studied. From a comparative study of aluminum oxide deposition under controlled ion flux irradiation on the deposition surface, it was found that the ions enhance the formation of the aluminum germanate layer. The plasma potential measured at the substrate position by the Langmuir probe method was 5.4 V. Assuming that the kinetic energy of ions arriving at the substrate surface is comparable to that gained by this plasma potential, such ions have sufficient energy to induce exchange reactions of surface-adsorbed Al atoms with the underlying Ge atoms without causing significant damage to the substrate. This ion-induced exchange reaction between Al and Ge atoms is inferred to be the background kinetics of the aluminum germanate formation by radical-enhanced atomic layer deposition.

  7. The effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations

    KAUST Repository

    Wang, N

    2014-05-16

    The growth and structure of ultrathin amorphous carbon films was investigated by molecular dynamics simulations. The second-generation reactive-empirical-bond-order potential was used to model atomic interactions. Films with different structures were simulated by varying the deposition energy of carbon atoms in the range of 1-120 eV. Intrinsic film characteristics (e.g. density and internal stress) were determined after the system reached equilibrium. Short- and intermediate-range carbon atom ordering is examined in the context of atomic hybridization and ring connectivity simulation results. It is shown that relatively high deposition energy (i.e., 80 eV) yields a multilayer film structure consisting of an intermixing layer, bulk film and surface layer, consistent with the classical subplantation model. The highest film density (3.3 g cm-3), sp3 fraction (∼43%), and intermediate-range carbon atom ordering correspond to a deposition energy of ∼80 eV, which is in good agreement with experimental findings. © 2014 IOP Publishing Ltd.

  8. Development of a brittle fracture acceptance criterion for the International Atomic Energy Agency (IAEA)

    Energy Technology Data Exchange (ETDEWEB)

    Sorenson, K.B.; Salzbrenner, R. (Sandia National Labs., Albuquerque NM (United States)); Nickell, R.E.

    1993-01-01

    An effort has been undertaken to develop a brittle fracture acceptance criterion for structural components of nuclear material transportation casks. The need for such a criterion was twofold. First, new generation cask designs have proposed the use of ferritic steels and other materials to replace the austenitic stainless steel commonly used for structural components in transport casks. Unlike austenitic stainless steel which fails in a high-energy absorbing, ductile tearing mode, it is possible for these candidate materials to fail via brittle fracture when subjected to certain combinations of elevated loading rates and low temperatures. Second, there is no established brittle fracture criterion accepted by the regulatory community that covers a broad range of structural materials. Although the existing IAEA Safety Series no.37 addressed brittle fracture, its the guidance was dated and pertained only to ferritic steels. Consultant's Services Meetings held under the auspices of the IAEA have resulted in a recommended brittle fracture criterion. The brittle fracture criterion is based on linear elastic fracture mechanics, and is the result of a consensus of experts from six participating IAEA-member countries. The brittle fracture criterion allows three approaches to determine the fracture toughness of the structural material. The three approaches present the opportunity to balance material testing requirements and the conservatism of the material's fracture toughness which must be used to demonstrate resistance to brittle fracture. This work has resulted in a revised Appendix IX to Safety Series no.37 which will be released as an IAEA Technical Document within the coming year. (author).

  9. Development of a brittle fracture acceptance criterion for the International Atomic Energy Agency (IAEA)

    Energy Technology Data Exchange (ETDEWEB)

    Sorenson, Ken B.; Salzbrenner, Richard [Sandia National Labs., Albuquerque, NM (United States); Nickell, Robert E. [Applied Science and Technology, Inc., Poway, CA (United States)

    1992-01-01

    An effort has been undertaken to develop a brittle fracture acceptance criterion for structural components of nuclear material transportation casks. The need for such a criterion was twofold. First, new generation cask designs have proposed the use of ferritic steels and other materials to replace the austenitic stainless steel commonly used for structural components in transport casks. Unlike austenitic stainless steel which fails in a high-energy absorbing, ductile tearing mode, it is possible for these candidate materials to fail via brittle fracture when subjected to certain combinations of elevated loading rates and low temperatures. Second, there is no established brittle fracture criterion accepted by the regulatory community that covers a broad range of structural materials. Although the existing IAEA Safety Series {number sign}37 addressed brittle fracture, its the guidance was dated and pertained only to ferritic steels. Consultant's Services Meetings held under the auspices of the IAEA have resulted in a recommended brittle fracture criterion. The brittle fracture criterion is based on linear elastic fracture mechanics, and is the result of a consensus of experts from six participating IAEA-member countries. The brittle fracture criterion allows three approaches to determine the fracture toughness of the structural material. The three approaches present the opportunity to balance material testing requirements and the conservatism of the material's fracture toughness which must be used to demonstrate resistance to brittle fracture. This work has resulted in a revised Appendix IX to Safety Series {number sign}37 which will be released as an IAEA Technical Document within the coming year.

  10. DOE FY 2010 Budget Request and Recovery Act Funding for Energy Research, Development, Demonstration, and Deployment: Analysis and Recommendations

    Energy Technology Data Exchange (ETDEWEB)

    Anadon, Laura Diaz; Gallagher, Kelly Sims; Bunn, Matthew

    2009-06-01

    The combination of the FY 2010 budget request for the Department of Energy (DOE) and the portion of the American Recovery and Reinvestment Act of 2009 (ARRA) funds likely to be available in 2010 would (assuming that they would be split evenly between FY 2010 and FY 2011) result in a doubling in funding available for energy research, development, and deployment (ERD and D) from $3.6 billion in FY 2009 to $7.2 billion in FY 2010. Without the stimulus funds, DOE ERD and D investments in FY 2010 would decrease very slightly when compared to FY 2009. Excluding the $7.5 billion for the Advanced Technology Vehicles Manufacturing Loans in FY 2009, the FY 2010 budget request for deployment represents a 33 percent decrease from the FY 2009 levels from $520 million to $350 million. This decrease is largely due to the large amounts of funds appropriated in ARRA for DOE deployment programs, or $23.6 billion, which are three times greater than those appropriated in the FY 2009 budget. These very substantial funding amounts, coupled with the broad range of institutional innovations the administration is putting in place and movement toward putting a price on carbon emissions, will help accelerate innovation for a broad range of energy technologies. DOE's Advanced Research Projects Agency-Energy (ARPA-E) and the Energy Innovation Hubs are important initiatives that could contribute to two weak points of the government's energy innovation effort, namely funding high-risk projects in transformational technologies and in companies that have not traditionally worked with the government and strengthening the integration of basic and applied research in priority areas. Increasing the funding for different types of energy storage research, providing some support for exploring opportunities in coal-to-liquids with carbon capture and storage (CCS) and coal-and-biomass-to-liquids with CCS, and reducing funding for fission RD and D are other actions that Congress could take in the

  11. 1: the atom. 2: radioactivity. 3: man and radiations. 4: the energy. 5: nuclear energy: fusion and fission. 6: the operation of a nuclear reactor. 7: the nuclear fuel cycle; 1: l'atome. 2: la radioactivite. 3: l'homme et les rayonnements. 4: l'energie. 5: l'energie nucleaire: fusion et fission. 6: le fonctionnement d'un reacteur nucleaire. 7: le cycle du combustible nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

    This series of 7 digest booklets present the bases of the nuclear physics and of the nuclear energy: 1 - the atom (structure of matter, chemical elements and isotopes, the four fundamental interactions, nuclear physics); 2 - radioactivity (definition, origins of radioelements, applications of radioactivity); 3 - man and radiations (radiations diversity, biological effects, radioprotection, examples of radiation applications); 4 - energy (energy states, different forms of energy, characteristics); 5 - nuclear energy: fusion and fission (nuclear energy release, thermonuclear fusion, nuclear fission and chain reaction); 6 - operation of a nuclear reactor (nuclear fission, reactor components, reactor types); 7 - nuclear fuel cycle (nuclear fuel preparation, fuel consumption, reprocessing, wastes management). (J.S.)

  12. In Silico Folding of a Three Helix Protein and Characterization of Its Free-Energy Landscape in an All-Atom Force Field

    Science.gov (United States)

    Herges, T.; Wenzel, W.

    2005-01-01

    We report the reproducible first-principles folding of the 40 amino-acid, three-helix headpiece of the HIV accessory protein in a recently developed all-atom free-energy force field. Six of 20 simulations using an adapted basin-hopping method converged to better than 3Å backbone rms deviation to the experimental structure. Using over 60 000 low-energy conformations of this protein, we constructed a decoy tree that completely characterizes its folding funnel.

  13. In-silico folding of a three helix protein and characterization of its free-energy landscape in an all-atom forcefield

    CERN Document Server

    Herges, T

    2003-01-01

    We report the reproducible first-principles folding of the 40 amino acid, three-helix headpiece of the HIV accessory protein in a recently developed all-atom free-energy forcefield. Six of twenty simulations using an adapted basin-hopping method converged to better than 3 \\AA backbone RMS deviation to the experimental structure. Using over 60,000 low-energy conformations of this protein, we constructed a decoy tree that completely characterizes its folding funnel.

  14. Handling of Nuclear Information; Proceedings of the Symposium... Organized by the International Atomic Energy Agency, and Held in Vienna, 16-20 February 1970.

    Science.gov (United States)

    International Atomic Energy Agency, Vienna (Austria).

    An international nuclear information system (INIS) which applies computer techniques to the management of the world's nuclear literature is about to come into operation. This prompted the International Atomic Energy Agency to hold a symposium to provide a comprehensive review of the facilities and services available in the world for providing…

  15. The retarded energy shift and pair polarizabilities of interacting atoms in an external field. Application of resummed field-theoretical perturbation theory

    NARCIS (Netherlands)

    Michels, M.A.J.; Suttorp, L.G.

    1980-01-01

    The interaction energy of two atoms in the presence of an external electrostatic field is evaluated up to sixth order with the help of covariant field-theoretical perturbation theory. The divergent Feynman diagrams entering the calculation are resummed according to a systematic procedure that the au

  16. Office of Electricity Delivery and Energy Reliability (OE) National Energy Technology Laboratory (NETL) American Recovery and Reinvestment Act 2009 United States Department of Energy

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Mohit [Seeo, Incorporated, Hayward, CA (United States); Grape, Ulrik [Seeo, Incorporated, Hayward, CA (United States)

    2014-07-29

    The purpose of this project was for Seeo to deliver the first ever large-scale or grid-scale prototype of a new class of advanced lithium-ion rechargeable batteries. The technology combines unprecedented energy density, lifetime, safety, and cost. The goal was to demonstrate Seeo’s entirely new class of lithium-based batteries based on Seeo’s proprietary nanostructured polymer electrolyte. This technology can enable the widespread deployment in Smart Grid applications and was demonstrated through the development and testing of a 10 kilowatt-hour (kWh) prototype battery system. This development effort, supported by the United States Department of Energy (DOE) enabled Seeo to pursue and validate the transformational performance advantages of its technology for use in grid-tied energy storage applications. The focus of this project and Seeo’s goal as demonstrated through the efforts made under this project is to address the utility market needs for energy storage systems applications, especially for residential and commercial customers tied to solar photovoltaic installations. In addition to grid energy storage opportunities Seeo’s technology has been tested with automotive drive cycles and is seen as equally applicable for battery packs for electric vehicles. The goals of the project were outlined and achieved through a series of specific tasks, which encompassed materials development, scaling up of cells, demonstrating the performance of the cells, designing, building and demonstrating a pack prototype, and providing an economic and environmental assessment. Nearly all of the tasks were achieved over the duration of the program, with only the full demonstration of the battery system and a complete economic and environmental analysis not able to be fully completed. A timeline over the duration of the program is shown in figure 1.

  17. Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation.

    Science.gov (United States)

    Takemura, Kazuhiro; Guo, Hao; Sakuraba, Shun; Matubayasi, Nobuyuki; Kitao, Akio

    2012-12-07

    We propose a method to evaluate binding free energy differences among distinct protein-protein complex model structures through all-atom molecular dynamics simulations in explicit water using the solution theory in the energy representation. Complex model structures are generated from a pair of monomeric structures using the rigid-body docking program ZDOCK. After structure refinement by side chain optimization and all-atom molecular dynamics simulations in explicit water, complex models are evaluated based on the sum of their conformational and solvation free energies, the latter calculated from the energy distribution functions obtained from relatively short molecular dynamics simulations of the complex in water and of pure water based on the solution theory in the energy representation. We examined protein-protein complex model structures of two protein-protein complex systems, bovine trypsin/CMTI-1 squash inhibitor (PDB ID: 1PPE) and RNase SA/barstar (PDB ID: 1AY7), for which both complex and monomer structures were determined experimentally. For each system, we calculated the energies for the crystal complex structure and twelve generated model structures including the model most similar to the crystal structure and very different from it. In both systems, the sum of the conformational and solvation free energies tended to be lower for the structure similar to the crystal. We concluded that our energy calculation method is useful for selecting low energy complex models similar to the crystal structure from among a set of generated models.

  18. Classical trajectory Monte Carlo model calculations for the antiproton-induced ionization of atomic hydrogen at low impact energy

    CERN Document Server

    Sarkadi, L

    2015-01-01

    The three-body dynamics of the ionization of the atomic hydrogen by 30 keV antiproton impact has been investigated by calculation of fully differential cross sections (FDCS) using the classical trajectory Monte Carlo (CTMC) method. The results of the calculations are compared with the predictions of quantum mechanical descriptions: The semi-classical time-dependent close-coupling theory, the fully quantal, time-independent close-coupling theory, and the continuum-distorted-wave-eikonal-initial-state model. In the analysis particular emphasis was put on the role of the nucleus-nucleus (NN) interaction played in the ionization process. For low-energy electron ejection CTMC predicts a large NN interaction effect on FDCS, in agreement with the quantum mechanical descriptions. By examining individual particle trajectories it was found that the relative motion between the electron and the nuclei is coupled very weakly with that between the nuclei, consequently the two motions can be treated independently. A simple ...

  19. Interface Energy Alignment of Atomic-Layer-Deposited VOx on Pentacene: an in Situ Photoelectron Spectroscopy Investigation.

    Science.gov (United States)

    Zhao, Ran; Gao, Yuanhong; Guo, Zheng; Su, Yantao; Wang, Xinwei

    2017-01-18

    Ultrathin atomic-layer-deposited (ALD) vanadium oxide (VOx) interlayer has recently been demonstrated for remarkably reducing the contact resistance in organic electronic devices (Adv. Funct. Mater. 2016, 26, 4456). Herein, we present an in situ photoelectron spectroscopy investigation (including X-ray and ultraviolet photoelectron spectroscopies) of ALD VOx grown on pentacene to understand the role of the ALD VOx interlayer for the improved contact resistance. The in situ photoelectron spectroscopy characterizations allow us to monitor the ALD growth process of VOx and trace the evolutions of the work function, pentacene HOMO level, and VOx defect states during the growth. The initial VOx growth is found to be partially delayed on pentacene in the first ∼20 ALD cycles. The underneath pentacene layer is largely intact after ALD. The ALD VOx is found to contain a high density of defect states starting from 0.67 eV below the Fermi level, and the energy level of these defect states is in excellent alignment with the HOMO level of pentacene, which therefore allows these VOx defect states to provide an efficient hole-injection pathway at the contact interface.

  20. Hot cell renovation in the spent fuel conditioning process facility at the Korea Atomic Energy Research Institute

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Seung Nam; Lee, Jong Kwang; Park, Byung Suk; Cho, Il Je; Kim, Ki Ho [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-10-15

    The advanced spent fuel conditioning process facility (ACPF) of the irradiated materials examination facility (IMEF) at the Korea Atomic Energy Research Institute (KAERI) has been renovated to implement a lab scale electrolytic reduction process for pyroprocessing. The interior and exterior structures of the ACPF hot cell have been modified under the current renovation project for the experimentation of the electrolytic reduction process using spent nuclear fuel. The most important aspect of this renovation was the installation of the argon compartment within the hot cell. For the design and system implementation of the argon compartment system, a full-scale mock-up test and a three-dimensional (3D) simulation test were conducted in advance. The remodeling and repairing of the process cell (M8a), the maintenance cell (M8b), the isolation room, and their utilities were also planned through this simulation to accommodate the designed argon compartment system. Based on the considered refurbishment workflow, previous equipment in the M8 cell, including vessels and pipes, were removed and disposed of successfully after a zoning smear survey and decontamination, and new equipment with advanced functions and specifications were installed in the hot cell. Finally, the operating area and isolation room were also refurbished to meet the requirements of the improved hot cell facility.

  1. Recent progress on tritium technology research and development for a fusion reactor in Japan Atomic Energy Agency

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, T.; Nakamura, H.; Kawamura, Y.; Iwai, Y.; Isobe, K.; Yamada, M.; Kurata, R.; Edao, Y. [Tritium Technology Group, Japan Atomic Energy Agency, Tokai-mura (Japan); Suzuki, T.; Oyaizu, M.; Yamanishi, T. [Tritium Technology Group, Japan Atomic Energy Agency, Rokkasho-mura (Japan)

    2015-03-15

    JAEA (Japan Atomic Energy Agency) manages 2 tritium handling laboratories: Tritium Processing Laboratory (TPL) in Tokai and DEMO-RD building in Rokkasho. TPL has been accumulating a gram level tritium safety handling experiences without any accidental tritium release to the environment for more than 25 years. Recently, our activities have focused on 3 categories, as follows. First, the development of a detritiation system for ITER. This task is the demonstration test of a wet Scrubber Column (SC) as a pilot scale (a few hundreds m{sup 3}/h of processing capacity). Secondly, DEMO-RD tasks are focused on investigating the general issues required for DEMO-RD design, such as structural materials like RAFM (Reduced Activity Ferritic/Martensitic steels) and SiC/SiC, functional materials like tritium breeder and neutron multiplier, and tritium. For the last 4 years, we have spent a lot of time and means to the construction of the DEMO-RD facility and to its licensing, so we have just started the actual research program with tritium and other radioisotopes. This tritium task includes tritium accountancy, tritium basic safety research such as tritium interactions with various materials, which will be used for DEMO-RD and durability. The third category is the recovery work from the Great East Japan earthquake (2011 earthquake). It is worth noting that despite the high magnitude of the earthquake, TPL was able to confine tritium properly without any accidental tritium release.

  2. United States of America activities relative to the International Atomic Energy Agency (IAEA) initiative: Records management for deep geologic repositories

    Energy Technology Data Exchange (ETDEWEB)

    Warner, P.J.

    1997-03-01

    The International Atomic Energy Agency (IAEA) has conducted consultant and advisory meetings to prepare a Technical Document which is intended to provide guidance to all IAEA Member States (otherwise known as countries) that are currently planning, designing, constructing or operating a deep or near surface geological repository for the storage and protection of vitrified high-level radioactive waste, spent fuel waste and TRU-waste (transuranic). Eleven countries of the international community are presently in various stages of siting, designing, or constructing deep geologic repositories. Member States of the IAEA have determined that the principle safety of such completed and operation sites must not rely solely on long term institutional arrangements for the retention of information. It is believed that repository siting, design, operation and postoperation information should be gathered, managed and retained in a manner that will provide information to future societies over a very long period of time. The radionuclide life is 10,000 years thus the retention of information must outlive current societies, languages, and be continually migrated to new technology to assure retrieval. This presentation will provide an overview of the status of consideration and implementation of these issues within the United States efforts relative to deep geologic repository projects.

  3. 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.

  4. 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.

  5. 77 FR 5781 - Energy Employees Occupational Illness Compensation Program Act of 2000; Revision to the List of...

    Science.gov (United States)

    2012-02-06

    ... the Monsanto Chemical Company in Dayton, Ohio, and the United Lead Company of New Jersey as atomic... Monsanto Chemical Company in Dayton, Ohio, and the United Lead Company of New Jersey as atomic weapons... Monsanto Chemical Company in Dayton, Ohio, was mistakenly identified as an AWE facility. Records related...

  6. Ensemble v-representable ab-initio density functional calculation of energy and spin in atoms: atest of exchange-correlation approximations

    CERN Document Server

    Kraisler, Eli; Kelson, Itzhak

    2010-01-01

    The total energies and the spin states for atoms and their first ions with Z = 1-86 are calculated within the the local spin-density approximation (LSDA) and the generalized-gradient approximation (GGA) to the exchange-correlation (xc) energy in density-functional theory. Atoms and ions for which the ground-state density is not pure-state v-representable, are treated as ensemble v- representable with fractional occupations of the Kohn-Sham system. A newly developed algorithm which searches over ensemble v-representable densities [E. Kraisler et al., Phys. Rev. A 80, 032115 (2009)] is employed in calculations. It is found that for many atoms the ionization energies obtained with the GGA are only modestly improved with respect to experimental data, as compared to the LSDA. However, even in those groups of atoms where the improvement is systematic, there remains a non-negligible difference with respect to the experiment. The ab-initio electronic configuration in the Kohn-Sham reference system does not always equ...

  7. 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.

  8. Atomic Information Technology Safety and Economy of Nuclear Power Plants

    CERN Document Server

    Woo, Taeho

    2012-01-01

    Atomic Information Technology revaluates current conceptions of the information technology aspects of the nuclear industry. Economic and safety research in the nuclear energy sector are explored, considering statistical methods which incorporate Monte-Carlo simulations for practical applications. Divided into three sections, Atomic Information Technology covers: • Atomic economics and management, • Atomic safety and reliability, and • Atomic safeguarding and security. Either as a standalone volume or as a companion to conventional nuclear safety and reliability books, Atomic Information Technology acts as a concise and thorough reference on statistical assessment technology in the nuclear industry. Students and industry professionals alike will find this a key tool in expanding and updating their understanding of this industry and the applications of information technology within it.

  9. Atomic Rydberg Reservoirs for Polar Molecules

    CERN Document Server

    Zhao, Bo; Pupillo, Guido; Zoller, Peter

    2011-01-01

    We discuss laser dressed dipolar and Van der Waals interactions between atoms and polar molecules, so that a cold atomic gas with laser admixed Rydberg levels acts as a designed reservoir for both elastic and inelastic collisional processes. The elastic scattering channel is characterized by large elastic scattering cross sections and repulsive shields to protect from close encounter collisions. In addition, we discuss a dissipative (inelastic) collision where a spontaneously emitted photon carries away (kinetic) energy of the collision partners, thus providing a significant energy loss in a single collision. This leads to the scenario of rapid thermalization and cooling of a molecule in the mK down to the \\mu K regime by cold atoms.

  10. Atomic Rydberg Reservoirs for Polar Molecules

    Science.gov (United States)

    Zhao, B.; Glaetzle, A. W.; Pupillo, G.; Zoller, P.

    2012-05-01

    We discuss laser-dressed dipolar and van der Waals interactions between atoms and polar molecules, so that a cold atomic gas with laser admixed Rydberg levels acts as a designed reservoir for both elastic and inelastic collisional processes. The elastic scattering channel is characterized by large elastic scattering cross sections and repulsive shields to protect from close encounter collisions. In addition, we discuss a dissipative (inelastic) collision where a spontaneously emitted photon carries away (kinetic) energy of the collision partners, thus providing a significant energy loss in a single collision. This leads to the scenario of rapid thermalization and cooling of a molecule in the mK down to the μK regime by cold atoms.

  11. Standard Compliance: Guidelines to Help State and Alternative Fuel Provider Fleets Meet Their Energy Policy Act Requirements, 10 CFR Part 490 (Book)

    Energy Technology Data Exchange (ETDEWEB)

    2014-03-01

    This guidebook addresses the primary requirements of the Alternative Fuel Transportation Program to help state and alternative fuel provider fleets comply with the Energy Policy Act via the Standard Compliance option. It also addresses the topics that covered fleets ask about most frequently.

  12. Standard Compliance: Guidelines to Help State and Alternative Fuel Provider Fleets Meet Their Energy Policy Act Requirements, 10 CFR Part 490 (Book)

    Energy Technology Data Exchange (ETDEWEB)

    2012-04-01

    This guidebook addresses the primary requirements of the Alternative Fuel Transportation Program to help state and alternative fuel provider fleets comply with the Energy Policy Act via the Standard Compliance option. It also addresses the topics that covered fleets ask about most frequently.

  13. Linear free energy relationships for metal-ligand complexation: Bidentate binding to negatively-charged oxygen donor atoms

    Science.gov (United States)

    Carbonaro, Richard F.; Atalay, Yasemin B.; Di Toro, Dominic M.

    2011-05-01

    Stability constants for metal complexation to bidentate ligands containing negatively-charged oxygen donor atoms can be estimated from the following linear free energy relationship (LFER): log KML = χOO( αO log KHL,1 + αO log KHL,2) where KML is the metal-ligand stability constant for a 1:1 complex, KHL,1 and KHL,2 are the proton-ligand stability constants (the ligand p Ka values), and αO is the Irving-Rossotti slope. The parameter χOO is metal specific and has slightly different values for five and six membered chelate rings. LFERs are presented for 21 different metal ions and are accurate to within approximately 0.30 log units in predictions of log KML values. Ligands selected for use in LFER development include dicarboxylic acids, carboxyphenols, and ortho-diphenols. For ortho-hydroxybenzaldehydes, α-hydroxycarboxylic acids, and α-ketocarboxylic acids, a modification of the LFER where log KHL,2 is set equal to zero is required. The chemical interpretation of χOO is that it accounts for the extra stability afforded to metal complexes by the chelate effect. Cu-NOM binding constants calculated from the bidentate LFERs are similar in magnitude to those used in WHAM 6. This LFER can be used to make log KML predictions for small organic molecules. Since natural organic matter (NOM) contains many of the same functional groups (i.e. carboxylic acids, phenols, alcohols), the LFER log KML predictions shed light on the range of appropriate values for use in modeling metal partitioning in natural systems.

  14. Conference on Nuclear Energy and Science for the 21st Century: Atoms for Peace Plus Fifty - Washington, D.C., October 2003

    Energy Technology Data Exchange (ETDEWEB)

    Pfaltzgraff, Robert L [Institute for Foreign Policy Analysis

    2006-10-22

    This conference's focus was the peaceful uses of the atom and their implications for nuclear science, energy security, nuclear medicine and national security. The conference also provided the setting for the presentation of the prestigious Enrico Fermi Prize, a Presidential Award which recognizes the contributions of distinguished members of the scientific community for a lifetime of exceptional achievement in the science and technology of nuclear, atomic, molecular, and particle interactions and effects. An impressive group of distinguished speakers addressed various issues that included: the impact and legacy of the Eisenhower Administration’s “Atoms for Peace” concept, the current and future role of nuclear power as an energy source, the challenges of controlling and accounting for existing fissile material, and the horizons of discovery for particle or high-energy physics. The basic goal of the conference was to examine what has been accomplished over the past fifty years as well as to peer into the future to gain insights into what may occur in the fields of nuclear energy, nuclear science, nuclear medicine, and the control of nuclear materials.

  15. XZP + 1d and XZP + 1d-DKH basis sets for second-row elements: application to CCSD(T) zero-point vibrational energy and atomization energy calculations.

    Science.gov (United States)

    Campos, Cesar T; Jorge, Francisco E; Alves, Júlia M A

    2012-09-01

    Recently, segmented all-electron contracted double, triple, quadruple, quintuple, and sextuple zeta valence plus polarization function (XZP, X = D, T, Q, 5, and 6) basis sets for the elements from H to Ar were constructed for use in conjunction with nonrelativistic and Douglas-Kroll-Hess Hamiltonians. In this work, in order to obtain a better description of some molecular properties, the XZP sets for the second-row elements were augmented with high-exponent d "inner polarization functions," which were optimized in the molecular environment at the second-order Møller-Plesset level. At the coupled cluster level of theory, the inclusion of tight d functions for these elements was found to be essential to improve the agreement between theoretical and experimental zero-point vibrational energies (ZPVEs) and atomization energies. For all of the molecules studied, the ZPVE errors were always smaller than 0.5 %. The atomization energies were also improved by applying corrections due to core/valence correlation and atomic spin-orbit effects. This led to estimates for the atomization energies of various compounds in the gaseous phase. The largest error (1.2 kcal mol(-1)) was found for SiH(4).

  16. Fast Atomic-Scale Elemental Mapping of Crystalline Materials by STEM Energy-Dispersive X-Ray Spectroscopy Achieved with Thin Specimens.

    Science.gov (United States)

    Lu, Ping; Yuan, Renliang; Zuo, Jian Min

    2017-02-01

    Elemental mapping at the atomic-scale by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) provides a powerful real-space approach to chemical characterization of crystal structures. However, applications of this powerful technique have been limited by inefficient X-ray emission and collection, which require long acquisition times. Recently, using a lattice-vector translation method, we have shown that rapid atomic-scale elemental mapping using STEM-EDS can be achieved. This method provides atomic-scale elemental maps averaged over crystal areas of ~few 10 nm2 with the acquisition time of ~2 s or less. Here we report the details of this method, and, in particular, investigate the experimental conditions necessary for achieving it. It shows, that in addition to usual conditions required for atomic-scale imaging, a thin specimen is essential for the technique to be successful. Phenomenological modeling shows that the localization of X-ray signals to atomic columns is a key reason. The effect of specimen thickness on the signal delocalization is studied by multislice image simulations. The results show that the X-ray localization can be achieved by choosing a thin specimen, and the thickness of less than about 22 nm is preferred for SrTiO3 in [001] projection for 200 keV electrons.

  17. Special Report on the "Department of Energy's Efforts to Meet Accountability and Performance Reporting Objectives of the American Recovery and Reinvestment Act"

    Energy Technology Data Exchange (ETDEWEB)

    None

    2009-09-01

    The purpose of the American Recovery and Reinvestment Act of 2009 (Recovery Act) was to jumpstart the U.S. economy, create or save millions of jobs, spur technological advances in health and science, and invest in the Nation's energy future. The Department of Energy will receive an unprecedented $38 billion in Recovery Act funding to support a variety of science, energy, and environmental initiatives. The Recovery Act requires transparency and accountability over these funds. To this end, the Office of Management and Budget (OMB) issued guidance requiring the Department to compile and report a wide variety of funding, accounting, and performance information. The Department plans to leverage existing information systems to develop accounting and performance information that will be used by program managers and ultimately reported to Recovery.gov, the government-wide source of Recovery Act information, and to OMB. The Department's iManage iPortal, a system that aggregates information from a number of corporate systems, will serve as the main reporting gateway for accounting information. In addition, the Department plans to implement a methodology or system that will permit it to monitor information reported directly to OMB by prime funding recipients. Furthermore, performance measures or metrics that outline expected outcomes are being developed, with results ultimately to be reported in a recently developed Department-wide system. Because of the significance of funds provided and their importance to strengthening the Nation's economy, we initiated this review to determine whether the Department had taken the steps necessary to ensure that Recovery Act funds can be appropriately tracked and are transparent to the public, and whether the benefits of the expenditures can be properly measured and reported clearly, accurately, and in a timely manner. Although not yet fully mature, we found that the Department's efforts to develop, refine, and apply

  18. Influence of ion-to-atom ratio on the microstructure of evaporated molybdenum thin films grown using low energy argon ions

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, Praveen Kumar, E-mail: praveenyadav@rrcat.gov.in; Nayak, Maheswar; Rai, Sanjay Kumar; Lodha, Gyanendra Singh [X-ray Optics Section, Indus Synchrotrons Utilization Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Sant, Tushar; Sharma, Surinder Mohan [High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Mukherjee, Chandrachur [Mechanical and Optical Support Section, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

    2014-03-15

    The authors report the effect of argon ion to molybdenum atom ratio (r) on the microstructure of low energy (70 eV) argon ion assisted electron beam evaporated Mo thin films. Surface roughness, morphology, and crystallinity of Mo films are found to strongly depend on “r.” Increase of “r” from 0 to 100 induces gradual loss in crystallinity, reduction in surface roughness and systematic increase in density of the film. For “r” ∼ 100, average atomic density of the film approaches the bulk value (97%) with lowest surface roughness. Further, increasing “r” up to 170 reduces the atomic density, increases roughness, and increase in crystallinity induced by low energy Ar ion beam. The observed surface roughness and grain size determined by x-ray reflectivity and glancing incidence x-ray diffraction correlate well with atomic force microscopy measurements. This study demonstrates that for r = 100 one gets lowest roughness Mo film with highest density and nearly amorphous microstructure. The growth model is discussed by structural zone model.

  19. INVOLVEMENT OF THE FACULTY OF MINING, GEOLOGY & PETROLEUM ENGINEERING IN TECHNICAL COOPERATION OF THE REPUBLIC OF CROATIA WITH THE INTERNATIONAL ATOMIC ENERGY AGENCY

    Directory of Open Access Journals (Sweden)

    Biljana Kovačević Zelić

    2012-07-01

    Full Text Available The article discusses the question of energy production from nuclear sources considering the growing demand for energy worldwide, the advantages and disadvantages of using nuclear energy. International Atomic Energy Agency (IAEA promotes the peaceful use of nuclear energy, and the State Office for Radiological and Nuclear Safety (DZNRS monitors the use of ionizing radiation sources in Republic of Croatia. Paper describes the role of the IAEA technical cooperation program involving Croatia (INT9173 "Training in Radioactive Waste Disposal Technologies in Underground Research Facilities - URFs". The importance of the involvement of Croatian scientists and experts, in the said project of technical cooperation in the field of radioactive waste management, is presented through activities conducted during the period since 2009 to date, taking into account Croatia's obligations regarding the disposal of radioactive waste generated by operation of the nuclear power plant Krško (the paper is published in Croatian.

  20. The direct ionization processes in the collisions of partially stripped carbon and oxygen ions with helium atoms at low-to-intermediate energies

    Institute of Scientific and Technical Information of China (English)

    Zhou Chun-Lin; Shao Jian-Xiong; Chen Xi-Meng; Sun Guang-Zhi; Zou Xian-Rong

    2008-01-01

    The values of direct double- to-single ionization ratio R of helium atoms induced by Cq+,Oq+ (q=1-4) ions at incident energies from 0.2 to 8.5MeV are measured.Based on the existing model (Shao J X,Chen X M and Ding B W 2007 Phys.Rev.A 75 012701) the effective charge of the projectile is introduced to theoretically estimate the value of R for the partially stripped ions impacting on helium atoms.The results calculated from our "effective charge" model are in good agreement with the experimental data,and the dependence of the effective charge on the ionization energy of the projectile is also discussed qualitatively.

  1. Comprehensive Energy Assessment: EE and RE Project Optimization Modeling for United States Pacific Command (USPACOM) American Recovery and Reinvestment Act (ARRA) FEMP Technical Assistance

    Energy Technology Data Exchange (ETDEWEB)

    Brigantic, Robert T.; Papatyi, Anthony F.; Perkins, Casey J.

    2010-09-30

    This report summarizes a study and corresponding model development conducted in support of the United States Pacific Command (USPACOM) as part of the Federal Energy Management Program (FEMP) American Reinvestment and Recovery Act (ARRA). This research was aimed at developing a mathematical programming framework and accompanying optimization methodology in order to simultaneously evaluate energy efficiency (EE) and renewable energy (RE) opportunities. Once developed, this research then demonstrated this methodology at a USPACOM installation - Camp H.M. Smith, Hawaii. We believe this is the first time such an integrated, joint EE and RE optimization methodology has been constructed and demonstrated.

  2. Forbidden 2 P- nP and 2 P- nF transitions in the energy spectrum of ultracold Rydberg lithium-7 atoms

    Science.gov (United States)

    Zelener, B. B.; Saakyan, S. A.; Sautenkov, V. A.; Manykin, E. A.; Zelener, B. V.; Fortov, V. E.

    2016-04-01

    Forbidden 2 P- nP and 2 P- nF transitions in the ranges of the principal quantum number n = 42-114 and n = 38-48 have been detected in the optical spectra of ultracold highly excited lithium-7 atoms. The presence of forbidden transitions is due to induced external electric fields. The quantum defects and ionization energy obtained in various experiments and predicted theoretically have been discussed.

  3. National Energy Policy Plan; A Report to the Congress Required by Title VIII of the Department of Energy Organization Act (Public Law 95-91)

    Energy Technology Data Exchange (ETDEWEB)

    1983-10-01

    Since the third National Energy Plan in 1981 total energy efficiency has increased, domestic energy resources are being developed more effectively, oil prices have declined, US dependence on foreign energy sources has diminished, and the nation's vulnerability to energy supply disruptions has been reduced markedly. The policy goal is an adequate supply of energy at reasonable costs. Strategies include minimizing federal control and involvement in energy markets while maintaining public health and safety and environmental quality and promoting a balanced and mixed energy resource system. Federal programs and actions in energy are reviewed.

  4. Energy spectrum of the hydrogen atom in a space with one compactified extra dimension, $\\mathbb{R}^3 \\times S^1$

    CERN Document Server

    Bureš, Martin

    2015-01-01

    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.

  5. Study of effective atomic number and electron density for tissues from human organs in the energy range of 1 keV-100 GeV.

    Science.gov (United States)

    Manjunatha, H C; Rudraswamy, B

    2013-02-01

    Effective atomic numbers' (Z(eff)) effective electron density (N(el)) for human organs and tissues have been computed in the energy region of 1 keV to 100 GeV using WinXCOM. The computed data of Z(eff) and N(el) are tabulated. The computed values are compared with previous results. The computed data of Z(eff)and N(el)for almost all tissues (34 tissues of different human organs) in the given energy range are not available in literature and find application in radiotherapy and dosimetry.

  6. Energy Efficiency and Renewable Energy Research, Development, and Deployment in Meeting Greenhouse Gas Mitigation Goals. The Case of the Lieberman-Warner Climate Security Act of 2007 (S. 2191)

    Energy Technology Data Exchange (ETDEWEB)

    Showalter, Sharon [OnLocation, Inc./ Energy Systems Consulting, Vienna, VA (United States); Wood, Frances [OnLocation, Inc./ Energy Systems Consulting, Vienna, VA (United States); Vimmerstedt, Laura [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2010-06-01

    The U.S. federal government is considering actions to reduce greenhouse gas emissions. Renewable energy and energy efficiency technologies could help reduce greenhouse gas emissions, so the cost of these technologies could significantly influence the overall cost of meeting greenhouse gas limits. This paper examines the potential benefit of reduced technology cost by analyzing the case of the Lieberman-Warner Climate Security Act of 2007 (S.2191). This act had a goal of reducing national carbon emissions in 2050 to levels 72 percent below 2006 emission levels. In April 2008, the U.S. Department of Energy, Energy Information Administration (EIA) published an analysis of the effects of S.2191 on the U.S. energy sector. This report presents a similar analysis: both analyses examined the impacts of S.2191, and both used versions of the National Energy Modeling System. The analysis reported here used modified technology assumptions to reflect U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE) program goals. The results show that achieving EERE program goals could reduce the cost of meeting greenhouse gas limits, reduce the cost of renewable electricity generation and biofuels, and reduce energy intensity.

  7. Energy Efficiency and Renewable Energy Research, Development, and Deployment in Meeting Greenhouse Gas Mitigation Goals: The Case of the Lieberman-Warner Climate Security Act of 2007 (S.2191)

    Energy Technology Data Exchange (ETDEWEB)

    Showalter, S.; Wood, F.; Vimmerstedt, L.

    2010-06-01

    The U.S. federal government is considering actions to reduce greenhouse gas emissions. Renewable energy and energy efficiency technologies could help reduce greenhouse gas emissions, so the cost of these technologies could significantly influence the overall cost of meeting greenhouse gas limits. This paper examines the potential benefit of reduced technology cost by analyzing the case of the Lieberman-Warner Climate Security Act of 2007 (S.2191). This act had a goal of reducing national carbon emissions in 2050 to levels 72 percent below 2006 emission levels. In April 2008, the U.S. Department of Energy, Energy Information Administration (EIA) published an analysis of the effects of S.2191 on the U.S. energy sector. This report presents a similar analysis: both analyses examined the impacts of S.2191, and both used versions of the National Energy Modeling System. The analysis reported here used modified technology assumptions to reflect U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE) program goals. The results show that achieving EERE program goals could reduce the cost of meeting greenhouse gas limits, reduce the cost of renewable electricity generation and biofuels, and reduce energy intensity.

  8. YUCCA MOUNTAIN PROJECT RECOMMENDATION BY THE SECRETARY OF ENERGY REGARDING THE SUITABILITY OF THE YUCCA MOUNTAIN SITE FOR A REPOSITORY UNDER THE NUCLEAR WASTE POLICY ACT OF 1982

    Energy Technology Data Exchange (ETDEWEB)

    NA

    2002-03-26

    For more than half a century, since nuclear science helped us win World War II and ring in the Atomic Age, scientists have known that !he Nation would need a secure, permanent facility in which to dispose of radioactive wastes. Twenty years ago, when Congress adopted the Nuclear Waste Policy Act of 1982 (NWPA or ''the Act''), it recognized the overwhelming consensus in the scientific community that the best option for such a facility would be a deep underground repository. Fifteen years ago, Congress directed the Secretary of Energy to investigate and recommend to the President whether such a repository could be located safely at Yucca Mountain, Nevada. Since then, our country has spent billions of dollars and millions of hours of research endeavoring to answer this question. I have carefully reviewed the product of this study. In my judgment, it constitutes sound science and shows that a safe repository can be sited there. I also believe that compelling national interests counsel in favor of proceeding with this project. Accordingly, consistent with my responsibilities under the NWPA, today I am recommending that Yucca Mountain be developed as the site for an underground repository for spent fuel and other radioactive wastes. The first consideration in my decision was whether the Yucca Mountain site will safeguard the health and safety of the people, in Nevada and across the country, and will be effective in containing at minimum risk the material it is designed to hold. Substantial evidence shows that it will. Yucca Mountain is far and away the most thoroughly researched site of its kind in the world. It is a geologically stable site, in a closed groundwater basin, isolated on thousands of acres of Federal land, and farther from any metropolitan area than the great majority of less secure, temporary nuclear waste storage sites that exist in the country today. This point bears emphasis. We are not confronting a hypothetical problem. We have a

  9. Atomic physics

    Energy Technology Data Exchange (ETDEWEB)

    Livingston, A.E.; Kukla, K.; Cheng, S. [Univ. of Toledo, OH (United States)] [and others

    1995-08-01

    In a collaboration with the Atomic Physics group at Argonne and the University of Toledo, the Atomic Physics group at the University of Notre Dame is measuring the fine structure transition energies in highly-charged lithium-like and helium-like ions using beam-foil spectroscopy. Precise measurements of 2s-2p transition energies in simple (few-electron) atomic systems provide stringent tests of several classes of current atomic- structure calculations. Analyses of measurements in helium-like Ar{sup 16+} have been completed, and the results submitted for publication. A current goal is to measure the 1s2s{sup 3}S{sub 1} - 1s2p{sup 3}P{sub 0} transition wavelength in helium-like Ni{sup 26+}. Measurements of the 1s2s{sup 2}S{sub 1/2} - 1s2p{sup 2}P{sub 1/2,3/2} transition wavelengths in lithium-like Kr{sup 33+} is planned. Wavelength and lifetime measurements in copper-like U{sup 63+} are also expected to be initiated. The group is also participating in measurements of forbidden transitions in helium-like ions. A measurement of the lifetime of the 1s2s{sup 3}S{sub 1} state in Kr{sup 34+} was published recently. In a collaboration including P. Mokler of GSI, Darmstadt, measurements have been made of the spectral distribution of the 2E1 decay continuum in helium-like Kr{sup 34+}. Initial results have been reported and further measurements are planned.

  10. Collisions of electrons with hydrogen atoms II. Low-energy program using the method of the exterior complex scaling

    Science.gov (United States)

    Benda, Jakub; Houfek, Karel

    2014-11-01

    While collisions of electrons with hydrogen atoms pose a well studied and in some sense closed problem, there is still no free computer code ready for “production use”, that would enable applied researchers to generate necessary data for arbitrary impact energies and scattering transitions directly if absent in on-line scattering databases. This is the second article on the Hex program package, which describes a new computer code that is, with a little setup, capable of solving the scattering equations for energies ranging from a fraction of the ionization threshold to approximately 100 eV or more, depending on the available computational resources. The program implements the exterior complex scaling method in the B-spline basis. Catalogue identifier: AETI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AETI_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 44 440 No. of bytes in distributed program, including test data, etc.: 322 643 Distribution format: tar.gz Programming language: C++11. Computer: Any. Operating system: Any system with a C++11 compiler (e.g. GCC 4.8.1; tested on OpenSUSE 13.1 and Windows 8). Has the code been vectorized or parallelized?: Parallelized by OpenMP and MPI. RAM: Depending on input; 4.9 GiB for the test run. Classification: 2.4. External routines: GSL [1], HDF5 [2], UMFPACK [3], FFTW3 [4], optionally with OpenBLAS [5]. Nature of problem: Solution of the two-particle Schrödinger equation in central field. Solution method: The two-electron states are expanded into angular momentum eigenstates, which gives rise to the coupled bi-radial equations. The bi-radially dependent solution is then represented in a B-spline basis, which transforms the set of equations into a large matrix equation in this basis. The boundary condition

  11. Energy and density analysis of the H2 molecule from the united atom to dissociation: The 3Σg+ and 3Σu+ states

    Science.gov (United States)

    Corongiu, Giorgina; Clementi, Enrico

    2009-11-01

    The first 14 Σ3g+ and the first 15 Σ3u+ states of the H2 molecule are computed with full configuration interaction both from Hartree-Fock molecular orbitals and Heitler-London atomic orbitals within the Born-Oppenheimer approximation, following recent studies for the Σ1g+ and Σ1u+ manifolds [Corongiu and Clementi, J. Chem. Phys. 131, 034301 (2009) and J. Phys. Chem. (in press)]. The basis sets utilized are extended and optimized Slater-type functions and spherical Gaussian functions. The states considered correspond to the configurations (1s1nl1) with n from 1 to 5; the internuclear separations sample the distances from 0.01 to 10 000 bohrs. For the first three Σ3g+ and Σ3u+ states and for the fourth and fifth Σ3g+ states, our computed energies at the equilibrium internuclear separation, when compared to the accurate values by Staszewska and Wolniewicz and by Kołos and Rychlewski, show deviations of about 0.006 kcal/mol, a test on the quality of our computations. Motivation for this work comes not only from obtaining potential energy curves for the high excited states of H2 but also from characterizing the electronic density evolution from the united atom to dissociation to provide a detailed analysis of the energy contributions from selected basis subsets and to quantitatively decompose the state energies into covalent and ionic components. Furthermore, we discuss the origin of the seemingly irregular patterns in potential energy curves in the two manifolds, between 4 and 6-9 bohrs—there are two systems of states: the first, from the united atom to about 4 bohrs, is represented by functions with principal quantum number higher than the one needed at dissociation; this system interacts at around 4 bohrs with the second system, which is represented by functions with principal quantum number corresponding to one of the dissociation products.

  12. Heat grids today and after the German Renewable Energies Act (EEG). A business segment for the agriculture?; Waermenetze heute und nach dem EEG. Ein Betriebszweig fuer die Landwirtschaft?

    Energy Technology Data Exchange (ETDEWEB)

    Clemens, Dietrich; Billerbeck, Hagen [Treurat und Partner Unternehmensberatungsgesellschaft mbH, Lueneburg (Germany). Abt. ' ' Climate and Energy' '

    2016-08-01

    The development of a centralised and sustainable heat supply through the construction of heat grids offers consumers numerous advantages compared to a decentralised energy supply of residential and commercial properties. Where the migration to centralised heat supply relegates fossil fuels through the long-term incorporation of sustainable renewable energy sources, the projects make an important contribution towards meeting the government's climate protection goals. Heat generation and heat sales from renewable energy sources should be ensured in the long term. In the countryside, biogas plant operators are frequently the initiators of heat grid investments, or they take on the role of supplier for the provision of low-cost CHP heat from cogeneration units. In view of the limited remuneration period under the terms of the German Renewable Energy Act, the clock is ticking for the establishment of a centralised heat supply. This paper presents the advantages and disadvantages of a centralised, sustainable heat supply and additionally considers the flexibi/isation of biogas plants in view of the construction of the heat grid and the associated infrastructure. A focus is placed on the security of supply for customers after the discontinuation of remuneration under the German Renewable Energy Act and on how a competitive heat price from alternative energy sources can continue to be ensured.

  13. Dephasing in an atom

    OpenAIRE

    2011-01-01

    When an atom in vacuum is near a surface of a dielectric the energy of a fluctuating electromagnetic field depends on a distance between them resulting, as known, in the force called van der Waals one. Besides this fluctuation phenomenon there is one associated with formation of a mean electric field which is equivalent to an order parameter. In this case atomic electrons are localized within atomic distances close to the atom and the total ground state energy is larger, compared to the bare ...

  14. Energy gradients with respect to atomic positions and cell parameters for the Kohn-Sham density-functional theory at the Gamma point.

    Science.gov (United States)

    Weber, Valéry; Tymczak, Christopher J; Challacombe, Matt

    2006-06-14

    The application of theoretical methods based on density-functional theory is known to provide atomic and cell parameters in very good agreement with experimental values. Recently, construction of the exact Hartree-Fock exchange gradients with respect to atomic positions and cell parameters within the Gamma-point approximation has been introduced. In this article, the formalism is extended to the evaluation of analytical Gamma-point density-functional atomic and cell gradients. The infinite Coulomb summation is solved with an effective periodic summation of multipole tensors. While the evaluation of Coulomb and exchange-correlation gradients with respect to atomic positions are similar to those in the gas phase limit, the gradients with respect to cell parameters needs to be treated with some care. The derivative of the periodic multipole interaction tensor needs to be carefully handled in both direct and reciprocal space and the exchange-correlation energy derivative leads to a surface term that has its origin in derivatives of the integration limits that depend on the cell. As an illustration, the analytical gradients have been used in conjunction with the QUICCA algorithm to optimize one-dimensional and three-dimensional periodic systems at the density-functional theory and hybrid Hartree-Fock/density-functional theory levels. We also report the full relaxation of forsterite supercells at the B3LYP level of theory.

  15. The dependence of scattering length on van derWaals interaction and reduced mass of the system in two-atomic collision at cold energies

    Indian Academy of Sciences (India)

    RAY HASI

    2016-07-01

    The static exchange model (SEM) and the modified static exchange model (MSEM) recently introduced by Ray in {\\it Pramana – J. Phys.} 83, 907 (2014) are used to study the elastic collision between two hydrogen-like atoms when both are in ground states by considering the system as a four-body Coulomb system in the centre of mass frame, in which all the Coulomb interaction terms in direct and exchange channels are treated exactly. The SEM includes the non-adiabatic short-range effect due to electron exchange. The MSEM added init, the long-range effect due to induced dynamic dipole polarizabilities between the atoms e.g., the van der Waals interaction. Applying the SEM code in different H-like two-atomic systems, a reduced mass $(\\mu)$ dependence on the scattering length is observed. Again, applying the MSEM code on H(1s)–H(1s) elastic scattering and varying the minimum values of interatomic distance $R_0$, the dependence of scattering length on the effective interatomic potential consistent with the existing physics is observed. Both these basic findings in low and cold energy atomic collision physics are quite useful and are being reported for the first time.

  16. Fast fitting-in of wind energy? Short-term effects of wind energy because of the Crisis and Recovery Act; Windenergie sneller ingepast? Korte termijn effecten windenergie door CHW

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2010-07-15

    This report describes the results of a study on the effects of the Crisis and Recovery Act on the realization of wind energy projects by provincial implementation plans in the Netherlands. [Dutch] Dit rapport beschrijft de resultaten van een onderzoek naar de effecten van de Crisis- en herstelwet (CHW) op de realisatie van windenergieprojecten via provinciale inpassingsplannen.

  17. Potential energies of characteristic atoms on basis of experimental heats of formation of AuCu and AuCu_3 compounds (Ⅰ)

    Institute of Scientific and Technical Information of China (English)

    XIE You-qing; LIU Xin-bi; LI Xiao-bo; PENG Hong-jian; NIE Yao-zhuang

    2009-01-01

    The systematic science of alloys(SSA) is a framework of the total energy and total volume able to be separated. The potential energy sequences of characteristic atoms at the central sites of the basic clusters in the fcc-based lattice Au-Cu system are separated out from smaller experimental heats of formation of L10-AuCu and L1_2-AuCu_3 compounds only, by nine potential energy E-functions and through the use of structural unit inversion method. From these potential energy sequences, the potential energies and heats of formation of the disordered Au1-xCux alloys at 0 K are calculated. The potential energies, heats of formation and Tc-temperatures of order-disorder transitions of the L1_0-AuCu, L1_2-Au_3Cu and L1_2-AuCu_3 compounds, as well as the Au_3Cu-, AuCu- and AuCu_3~- type ordered alloys with maximal ordering degrees are calculated too. The results show that the 5th E-function may be chosen for developing it into the free energy-, enthalpy-, vibrational energy- and vibrational entropy-functions for describing thermodynamic properties of the compounds, ordered and disordered phases and for establishing the phase diagram of the Au-Cu system in the future.

  18. Effective atomic numbers of different types of materials for proton interaction in the energy region 1 keV-10 GeV

    Science.gov (United States)

    Kurudirek, Murat

    2014-10-01

    The effective atomic numbers (Zeff) of different types of materials such as tissues, tissue equivalents, organic compounds, glasses and dosimetric materials have been calculated for total proton interactions in the energy region 1 keV-10 GeV. Also, effective atomic numbers relative to water (Zeff RW) have been presented in the entire energy region for the materials that show better water equivalent properties. Some human tissues such as adipose tissue, bone compact, muscle skeletal and muscle striated have been investigated in terms of tissue equivalency by comparing Zeff values and the better tissue equivalents have been determined for these tissues. With respect to the variation of Zeff with kinetic energy, it has been observed that Zeff seems to be more or less the same in the energy region 400 keV-10 GeV for the given materials except for the photographic emulsion, calcium fluoride, silicon dioxide, aluminum oxide and Teflon. The values of Zeff have found to be constant for photographic emulsion after 1 GeV, for calcium fluoride between 1 MeV and 1 GeV and for silicon dioxide, aluminum oxide and Teflon between 400 keV and 1 GeV. This constancy clearly shows the availability of using Zeff in estimating radiation response of the materials at first glance.

  19. Effective atomic numbers of different types of materials for proton interaction in the energy region 1 keV–10 GeV

    Energy Technology Data Exchange (ETDEWEB)

    Kurudirek, Murat, E-mail: mkurudirek@gmail.com

    2014-10-01

    The effective atomic numbers (Z{sub eff}) of different types of materials such as tissues, tissue equivalents, organic compounds, glasses and dosimetric materials have been calculated for total proton interactions in the energy region 1 keV–10 GeV. Also, effective atomic numbers relative to water (Z{sub eff}RW) have been presented in the entire energy region for the materials that show better water equivalent properties. Some human tissues such as adipose tissue, bone compact, muscle skeletal and muscle striated have been investigated in terms of tissue equivalency by comparing Z{sub eff} values and the better tissue equivalents have been determined for these tissues. With respect to the variation of Z{sub eff} with kinetic energy, it has been observed that Z{sub eff} seems to be more or less the same in the energy region 400 keV–10 GeV for the given materials except for the photographic emulsion, calcium fluoride, silicon dioxide, aluminum oxide and Teflon. The values of Z{sub eff} have found to be constant for photographic emulsion after 1 GeV, for calcium fluoride between 1 MeV and 1 GeV and for silicon dioxide, aluminum oxide and Teflon between 400 keV and 1 GeV. This constancy clearly shows the availability of using Z{sub eff} in estimating radiation response of the materials at first glance.

  20. A setup for transmission measurements of low energy multiply charged ions through free-standing few atomic layer films

    Science.gov (United States)

    Smejkal, V.; Gruber, E.; Wilhelm, R. A.; Brandl, L.; Heller, R.; Facsko, S.; Aumayr, F.

    2016-09-01

    We report the design and testing of a setup for transmission measurements of multiply charged ions through free-standing films with a thickness of a few atomic layers. The investigation thereof can yield deeper insight into charge equilibration and pre-equilibrium stopping phenomena which can ultimately be used to specifically tailor and modify these materials.