WorldWideScience

Sample records for atomic energy agreements

  1. 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.

  2. 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...

  3. 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.

  4. 14th April 2008 - Signature of a Cooperation Agreement between Turkey represented by the President of the Turkish Atomic Energy Authority O. Cakiroglu and CERN, represented by Director-General R. Aymar.

    CERN Multimedia

    Mona Schweizer

    2008-01-01

    14th April 2008 - Signature of a Cooperation Agreement between Turkey represented by the President of the Turkish Atomic Energy Authority O. Cakiroglu and CERN, represented by Director-General R. Aymar.

  5. 25 September 2012 - Signature of an Agreement between the Islamic Republic of Pakistan, represented by the Pakistan Atomic Energy Commission Chairman A. Parvez and CERN, represented by its Director-General R. Heuer.

    CERN Multimedia

    Maximilien Brice

    2012-01-01

    25 September 2012 - Signature of an Agreement between the Islamic Republic of Pakistan, represented by the Pakistan Atomic Energy Commission Chairman A. Parvez and CERN, represented by its Director-General R. Heuer.

  6. 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…

  7. Report realized on the behalf of the Foreign Affairs Commission on the law project, adopted by the Senate, authorizing the added protocol ratification to the agreement between France, the European Atomic Energy Community and the International Atomic Energy Agency relative to the guaranties application in France; Rapport fait au nom de la Commission des Affaires Etrangeres sur le projet de Loi, adopte par le Senat, autorisant la ratification du protocole additionnel a l'accord entre la France, la Communaute europeenne de l'energie atomique et l'Agence internationale de l'energie atomique relatif a l'application de garanties en France

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-02-01

    This document presents the analyse of the law project, adopted by the Senate, authorizing the added protocol ratification to the agreement between France, the Atomic Energy European Community and the International Atomic Energy Agency relative to the guaranties application in France. It deals with the nuclear proliferation fight in France and the the program of enhancement of guaranties in the framework of the IAEA. (A.L.B.)

  8. 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...

  9. REVIEW OF THE NEGOTIATION OF THE MODEL PROTOCOL ADDITIONAL TO THE AGREEMENT(S) BETWEEN STATE(S) AND THE INTERNATIONAL ATOMIC ENERGY AGENCY FOR THE APPLICATION OF SAFEGUARDS,INFCIRC/540 (Corrected) VOLUME I/III SETTING THE STAGE: 1991-1996.

    Energy Technology Data Exchange (ETDEWEB)

    Rosenthal, M.D.; Saum-Manning, L.; Houck, F.; Anzelon, G.

    2010-01-01

    Events in Iraq at the beginning of the 1990s demonstrated that the safeguards system of the International Atomic Energy Agency (IAEA) needed to be improved. It had failed, after all, to detect Iraq's clandestine nuclear weapon program even though some of Iraq's's activities had been pursued at inspected facilities in buildings adjacent to ones being inspected by the IAEA. Although there were aspects of the implementation of safeguards where the IAEA needed to improve, the primary limitations were considered to be part of the safeguards system itself. That system was based on the Nuclear Nonproliferation Treaty of 1970, to which Iraq was a party, and implemented on the basis of a model NPT safeguards agreement, published by the IAEA 1972 as INFCIRC/153 (corrected). The agreement calls for states to accept and for the IAEA to apply safeguards to all nuclear material in the state. Iraq was a party to such an agreement, but it violated the agreement by concealing nuclear material and other nuclear activities from the IAEA. Although the IAEA was inspecting in Iraq, it was hindered by aspects of the agreement that essentially limited its access to points in declared facilities and provided the IAEA with little information about nuclear activities anywhere else in Iraq. As a result, a major review of the NPT safeguards system was initiated by its Director General and Member States with the objective of finding the best means to enable the IAEA to detect both diversions from declared stocks and any undeclared nuclear material or activities in the state. Significant improvements that could be made within existing legal authority were taken quickly, most importantly a change in 1992 in how and when and what design information would be reported to the IAEA. During 1991-1996, the IAEA pursued intensive study, legal and technical analysis, and field trials and held numerous consultations with Member States. The Board of Governors discussed the issue of

  10. Atomic displacement energy in amorphous compounds

    Science.gov (United States)

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

    2016-12-01

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

  11. 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.

  12. 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...

  13. World Energy Data System (WENDS). Volume VI. International agreement profiles

    Energy Technology Data Exchange (ETDEWEB)

    None

    1979-06-01

    The World Energy Data System contains organized data on those countries and international organizations that may have critical impact on world energy. The international agreement profiles in WENDS are all energy-related and are organized by energy technology. These are: coal; conservation; fusion; geothermal; nuclear fission; oil, gas, and shale; solar, wind, and ocean thermal; and other (cooperation in electrical power equipment acquisition, energy, energy research, etc.). The agreement profiles are accessible by energy technology and alphabetically by country.

  14. 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)

  15. 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.

  16. Law project adopted by the Senate and authorizing the ratification of the additional protocol to the agreement between France, the European atomic energy community and the international atomic energy agency relative to the application of warranties in France; Projet de loi adopte par le Senat autorisant la ratification du protocole additionnel a l'accord entre la France, la Communaute europeenne de l'energie atomique et l'Agence internationale de l'energie atomique relatif a l'application de garanties en Franc

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-10-01

    This project of law concerns an additional protocol to the agreement of warranties signed on September 22, 1998 between France, the European atomic energy community and the IAEA. This agreement concerns the declaration of all information relative to the R and D activities linked with the fuel cycle and involving the cooperation with a foreign country non endowed with nuclear weapons. These information include the trade and processing of nuclear and non-nuclear materials and equipments devoted to nuclear reactors (pressure vessels, fuel loading/unloading systems, control rods, force and zirconium tubes, primary coolant pumps, deuterium and heavy water, nuclear-grade graphite), to fuel reprocessing plants, to isotope separation plants (gaseous diffusion, laser enrichment, plasma separation, electromagnetic enrichment), to heavy water and deuterium production plants, and to uranium conversion plants. (J.S.)

  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. 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.

  19. 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.

  20. 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.

  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. Report realized on behalf of the Foreign Affairs Commission, of Defense and Armed Forces on the law project allowing the additional protocol ratification to the agreement between France, European Community of the atomic energy and the International Atomic Energy Agency relative to the guaranties application in France; Rapport fait au nom de la commission des affaires etrangeres, de la defense et des forces armees sur le projet de loi autorisant la ratification du protocole additionnel a l'accord entre la France, la Communaute europeenne de l'energie atomique et l'Agence internationale de l'energie atomique relatif a l'application de garanties en France

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

    In a first part the author presents the International Atomic Energy Agency and its missions in the nuclear non proliferation policy especially in the agreements with the states of the TNP (Treaty of Nuclear non Proliferation). the today position of France is then analyzed towards the IAEA and the novations added by the additional protocol. (A.L.B.)

  3. 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.

  4. Energy Agreement for Sustainable Growth; Energieakkoord voor duurzame groei

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-09-01

    The SER (Social and Economic Council of the Netherlands) Energy Agreement for Sustainable Growth outlines the ambition to provide a long-term perspective for the Dutch energy economy with short and medium term agreements. Therefore, a large number of concrete measures and elaborations are agreed upon. Quantitative assessments are made of the effects for 2020-2023. Because there are almost no concrete measures for a longer period and the uncertainties are increasing for the longer term, calculations were not carried out for years after 2023. The extent to which the agreed steps contribute to the necessary building blocks for the energy transition in the long term is assessed qualitatively. Agreed targets in the agreement are: (1) A reduction in final energy consumption by an average of 1.5% per year; (2) 100 PJ energy conservation in final energy consumption in 2020; (3) 14% renewable energy by 2020 and 16% in 2023; (4) at least 15,000 jobs with an emphasis on the next few years [Dutch] Het SER-Energieakkoord voor duurzame groei schetst als ambitie het bieden van een langetermijnperspectief voor onze energiehuishouding met afspraken voor de korte en middellange termijn. Het is daartoe een groot aantal concrete maatregelen en nadere uitwerkingen overeengekomen. ECN/PBL hebben met het EIB een kwantitatieve doorrekening gemaakt van de effecten voor 2020/23. Omdat er vrijwel geen concrete maatregelen zijn afgesproken die gericht zijn op een verder liggende periode en de onzekerheden op langere termijn steeds meer toenemen, is geen doorrekening voor latere jaren gemaakt. De mate waarin de afgesproken stappen bijdragen aan de nodige bouwstenen voor de energietransitie op langere termijn is kwalitatief beoordeeld. Afgesproken doelen in het akkoord zijn: (1) Een besparing van het finale energieverbruik met gemiddeld 1,5% per jaar; (2) 100 PJ besparing in het finale energieverbruik in 2020; (3) 14% hernieuwbare energie in 2020 en 16% in 2023; (4) Tenminste 15.000 banen met

  5. 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...

  6. 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)…

  7. 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.

  8. 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.

  9. 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.

  10. Energy technologies at the cutting edge: international energy technology collaboration IEA Implementing Agreements

    Energy Technology Data Exchange (ETDEWEB)

    Pottinger, C. (ed.)

    2007-05-15

    Ensuring energy security and addressing climate change issues in a cost-effective way are the main challenges of energy policies and in the longer term will be solved only through technology cooperation. To encourage collaborative efforts to meet these energy challenges, the IEA created a legal contract - Implementing Agreement - and a system of standard rules and regulations. This allows interested member and non-member governments or other organisations to pool resources and to foster the research, development and deployment of particular technologies. For more than 30 years, this international technology collaboration has been a fundamental building block in facilitating progress of new or improved energy technologies. There are now 41 Implementing Agreements. This is the third in the series of publications highlighting the recent results and achievements of the IEA Implementing Agreements. This document is arranged in the following sections: Cross-cutting activities (sub-sectioned: Climate technology initiative; Energy Technology Data Eexchange; and Energy technology systems analysis programme); End-use technologies (sub-sectioned: Buildings; Electricity; Industry; and Transport; Fossil fuels (sub-sectioned: Clean Coal Centre; Enhanced oil recovery Fluidized bed conversion; Greenhouse Gas R & D; Multiphase flow sciences); Fusion power; Renewable energies and hydrogen; and For more information (including detail on the IEA energy technology network; IEA Secretariat Implementing Agreement support; and IEA framework. Addresses are given for the Implementing Agreements. The publication is based on core input from the Implementing Agreement Executive Committee.

  11. Law project (no. 1329) adopted by the Senate and authorizing the ratification of the agreement between the French Republic, the European Atomic Energy Community and the International Atomic Energy Agency relative to the enforcement of warranties in the framework of the treaty of nuclear weapons prohibition in South America and the Caribbeans area (two protocols together); Projet de loi (no. 1329) adopte par le Senat autorisant la ratification de l'accord entre la Republique francaise, la Communaute europeenne de l'energie atomique et l'Agence internationale de l'energie atomique relatif a l'application de garanties dans le cadre du traite visant l'interdiction des armes nucleraires en Amerique latine et dans les Caraibes (ensemble deux protocoles)

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-01-01

    The French Senate adopted on January 6, 2004 the project of law which authorizes the ratification of the agreement between France, the European atomic energy community and the IAEA about the enforcement of warranties in the framework of the treaty of interdiction of nuclear weapons in South America and in the Caribbean area signed in Vienna (Austria) on March 21, 2000. The text of this treaty is attached to this law. (J.S.)

  12. Energy efficiency in energy-intensive industries - an evaluation of the Swedish voluntary agreement PFE

    OpenAIRE

    Stenqvist, Christian; Nilsson, Lars J.

    2012-01-01

    In this paper we evaluate the Swedish Programme for improving energy efficiency in energy-intensive industries (PFE). Since 2005, some 100 energy-intensive companies have entered this five year voluntary agreement (VA) and been exempted from the EU minimum tax on electricity. In return, each company is required to: conduct an energy audit and analysis; identify and invest in profitable electricity saving measures; implement and certify an energy management system; introduce routines for energ...

  13. The quid-pro-quo of environmental agreements: Reflections on industrial energy efficiency agreements from five countries

    Energy Technology Data Exchange (ETDEWEB)

    Helby, Peter

    2001-10-01

    This workshop paper reflects on the exchange of values between the government side and the business side, which is a core logic of environmental agreements. The reflections refer to case studies of industrial energy efficiency agreements from Denmark, France, Germany, Netherlands and Sweden, originating from the VAIE project (Voluntary Agreements, Implementation and Efficiency). The government bargaining chips discussed are monetary rewards, help to gain competitive advantage, regulatory flexibility and political protection. The business side bargaining chips are emission limits, organisational change, investments, information, submission to control and political pain reduction. The discussion underlines the need for substantial commitments by the government side, as a precondition for achieving effective agreements.

  14. The Swedish energy policy agreement in a nuclear perspective

    Energy Technology Data Exchange (ETDEWEB)

    Bergloef, Carl [Swedish Nuclear Society, Stockholm (Sweden)

    2016-08-15

    Since the establishment of nuclear power in the 1970s and 1980s Sweden has been more or less fossil free when it comes to electricity production. Nuclear power production together with a large hydropower production is taking care of daily load variations. Sweden has found a receipt that many countries strive for. After decades of nuclear debate and unclear future it is now very satisfying to have a society based long term energy policy agreement for nuclear power. The Phase-out Act has been removed and will not be reinforced. New reactor constructions are allowed at existing nuclear sites, up to a maximum of ten reactors. The nuclear tax will be removed.

  15. 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.

  16. 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.

  17. 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).

  18. 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.

  19. REVIEW OF THE NEGOTIATION OF THE MODEL PROTOCOL ADDITIONAL TO THE AGREEMENT(S) BETWEEN STATE(S) AND THE INTERNATIONAL ATOMIC ENERGY AGENCY FOR THE APPLICATION OF SAFEGUARDS, INFCIRC/540 (Corrected) VOLUME II/III IAEA COMMITTEE 24, Major Issues Underlying the Model Additional Protocol (1996-1997).

    Energy Technology Data Exchange (ETDEWEB)

    Rosenthal, M.D.; Saum-Manning, L.; Houck, F.

    2010-01-01

    Volume I of this Review traces the origins of the Model Additional Protocol. It covers the period from 1991, when events in Iraq triggered an intensive review of the safeguards system, until 1996, when the IAEA Board of Governors established Committee 24 to negotiate a new protocol to safeguards agreement. The period from 1991-1996 set the stage for this negotiation and shaped its outcome in important ways. During this 5-year period, many proposals for strengthening safeguards were suggested and reviewed. Some proposals were dropped, for example, the suggestion by the IAEA Secretariat to verify certain imports, and others were refined. A rough consensus was established about the directions in which the international community wanted to go, and this was reflected in the draft of an additional protocol that was submitted to the IAEA Board of Governors on May 6, 1996 in document GOV/2863, Strengthening the Effectiveness and Improving the Efficiency of the Safeguards System - Proposals For Implementation Under Complementary Legal Authority, A Report by the Director General. This document ended with a recommendation that, 'the Board, through an appropriate mechanism, finalize the required legal instrument taking as a basis the draft protocol proposed by the Secretariat and the explanation of the measures contained in this document.'

  20. 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.

  1. 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...

  2. 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.

  3. 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.

  4. 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).

  5. 75 FR 16173 - Renewal of Agency Information Collection for Tribal Energy Resource Agreements; Comment Request

    Science.gov (United States)

    2010-03-31

    ... Bureau of Indian Affairs Renewal of Agency Information Collection for Tribal Energy Resource Agreements... submitting the information collection titled ``Tribal Energy Resource Agreements (TERAs)'' to the Office of... determine the capacity of tribes to manage the development of energy resources on tribal lands....

  6. 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.

  7. Shoulders to the Wheel: Energy-Related College/Business Cooperative Agreements.

    Science.gov (United States)

    Jackman, Mary Jane G.; Mahoney, James R.

    This booklet provides information on cooperative agreements between college and industry, focusing special attention on such agreements in energy-related fields. After highlighting the major elements of cooperative agreements and their benefits and potential problems, the report examines the economic context in which joint activity between…

  8. 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)

  9. 75 FR 4836 - Renewal of Agency Information Collection for Tribal Energy Resource Agreements

    Science.gov (United States)

    2010-01-29

    ... Bureau of Indian Affairs Renewal of Agency Information Collection for Tribal Energy Resource Agreements... Affairs, is proposing to submit the information collection titled ``Tribal Energy Resource Agreements... resources on tribal lands. Information collected: Enables IEED to engage in a consultation process...

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. Energy service agreement as a tool of the program implementation aimed at raising of energy efficiency: challenges and opportunities

    Directory of Open Access Journals (Sweden)

    Tupikina Anastasia

    2016-01-01

    Full Text Available In this article relevance of energy service agreement as a tool of energy efficiency raising has been proved. On the basis of analysis of researches aimed at energy service agreements, legislative base and procedural framework, examples of implementation of energy service agreements the key challenges have been defined, slowing down the development of energy services market in Russia. Possible ways of solving these problems have been shown and the necessity of complex approach to dealing with these issues has been drawn.

  16. 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.

  17. Agreement to provide energy planning, analysis, and evaluation

    Energy Technology Data Exchange (ETDEWEB)

    1980-03-01

    Three separate subjects are analyzed: (1) the incremental pricing requirements of LNG projects, (2) cooperative Arab/Israeli energy programs based on natural gas, and (3) the effects of the 1978 Natural Gas Policy Act on the country as a whole and particularly on Illinois, Michigan, Wisconsin, and Minnesota. The studies found that (1) incremental pricing of LNG complicates the financing of LNG projects and reduces the number of viable projects, leading to increased oil and LP-gas imports, (2) cooperative gas-utilization ventures between Egypt and Israel should aim at developing a regional pipeline network, constructing export facilities, and producing chemical feedstocks, and (3) the peculiarities of each region of the US, along with the interdependency of the factors involved in assessing the NGPA's impact on each region, complicate any attempt to quantify the act's effects, but the profile constructed for Region 5 will facilitate quantification when more data become available.

  18. 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.

  19. Energy efficiency in energy-intensive industries-an evaluation of the Swedish voluntary agreement PFE

    Energy Technology Data Exchange (ETDEWEB)

    Stenqvist, C.; Nilsson, L.J. [Environmental and Energy Systems Studies, Department of Technology and Society, Faculty of Engineering, Lund University, P.O. Box 118, 22100 Lund (Sweden)

    2012-05-15

    In this paper, we evaluate the Swedish Programme for improving energy efficiency in energy-intensive industries (PFE). Since 2005, some 100 energy-intensive companies have entered this 5-year voluntary agreement (VA) and been exempted from the EU minimum tax on electricity. In return, each company is required to: conduct an energy audit and analysis; identify and invest in profitable electricity saving measures; implement and certify an energy management system; introduce routines for energy efficient procurement and project planning. For most participants the first programme period was completed in 2009 and available data enables this PFE ex-post evaluation. An impact evaluation compiles and analyse data that the companies have reported to the administrating agency, the Swedish Energy Agency (SEA). This assessment of quantifiable results is complemented by a process-oriented approach that combines studies of policy documents, previous evaluations and personal communication with administrators as well as companies. The bottom-up calculation method distinguishes between gross and net impact. While the SEA estimates a gross impact of 1,450 GW h/year, the net impact consists of an interval between 689 and 1,015 GW h of net annual electricity savings. PFE has effectively and, to a low cost, exceeded the estimated impact of a minimum tax and can thus be judged as successful. A comprehensive evaluation plan could facilitate relevant data gathering in PFE and similar VAs and could, in doing so, improve accuracy and possibly reduce evaluation cost. Such a plan should give weight also to the organisational changes, with potential long-lasting effects, that these programmes are capable of promoting.

  20. The implementation of a multi-annual agreement for energy efficiency in The Netherlands

    NARCIS (Netherlands)

    Dinica, Valentina; Bressers, Hans Th.A.; Bruijn, de Theo

    2007-01-01

    The paper analyses the implementation of the second multi-annual agreement for energy efficiency concluded in the Netherlands with industrial sectors for the period 2002–2010. It aims to investigate whether the multi-annual agreement MJA2, as a voluntary instrument, is sufficiently stimulating behav

  1. 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

  2. 77 FR 36532 - Review of Small Generator Interconnection Agreements and Procedures; Solar Energy Industries...

    Science.gov (United States)

    2012-06-19

    ...-001; ER12-1855-000] Review of Small Generator Interconnection Agreements and Procedures; Solar Energy... discuss issues related to a petition for rulemaking recently submitted by the Solar Energy Industries... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF ENERGY...

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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)

  10. 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...

  11. 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...

  12. 78 FR 37567 - Renewal of Agency Information Collection for Tribal Energy Resource Agreements

    Science.gov (United States)

    2013-06-21

    ... Bureau of Indian Affairs Renewal of Agency Information Collection for Tribal Energy Resource Agreements... of energy resources on tribal lands. Information collection: Enables IEED to engage in a consultation... Assistant Director for Information Resources. BILLING CODE 4310-4M-P...

  13. Voluntary agreements with white certificates for energy efficiency improvement as a hybrid policy instrument

    NARCIS (Netherlands)

    Oikonomou, V.; Patel, M. K.; van der Gaast, W.; Rietbergen, M.

    2009-01-01

    In this paper we examine the implementation of a combined policy scheme that consists of a traditional instrument, the voluntary agreements (VAs), and an innovative one, the white certificates (WhC). The basic structure of this scheme is that energy suppliers who undertake an energy efficiency oblig

  14. 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.

  15. 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.

  16. 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)

  17. 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.

  18. Testing the Agreement/Tense Omission Model: Why the Data on Children's Use of Non-Nominative 3psg Subjects Count against the ATOM

    Science.gov (United States)

    Pine, Julian M.; Rowland, Caroline F.; Lieven, Elena V. M.; Theakston, Anna L.

    2005-01-01

    One of the most influential recent accounts of pronoun case-marking errors in young children's speech is Schutze & Wexler's (1996) Agreement/Tense Omission Model (ATOM). The ATOM predicts that the rate of agreeing verbs with non-nominative subjects will be so low that such errors can be reasonably disregarded as noise in the data. The present…

  19. 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,…

  20. 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.

  1. International Energy Agency Implementing Agreements and Annexes: A Guide for Building Technologies Program Managers

    Energy Technology Data Exchange (ETDEWEB)

    Evans, Meredydd; Runci, Paul; Meier, Alan

    2008-08-01

    This report presents results from a program evaluation of the U.S. Department of Energy?s Buildings Technologies Program (BTP) participation in collaborative international technology implementing agreements. The evaluation was conducted by researchers from the Pacific Northwest National Laboratory and the Lawrence Berkeley National Laboratory in the fall of 2007 and winter 2008 and was carried out via interviews with stakeholders in four implementing agreements in which BTP participates, reviews of relevant program reports, websites and other published materials. In addition to these findings, the report includes a variety of supporting materials such that aim to assist BTP managers who currently participate in IEA implementing agreements or who may be considering participation.

  2. 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.

  3. 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.

  4. 78 FR 19005 - Renewal of Agency Information Collection for Tribal Energy Resource Agreements

    Science.gov (United States)

    2013-03-28

    ... Bureau of Indian Affairs Renewal of Agency Information Collection for Tribal Energy Resource Agreements... resources on tribal lands. Information collection: Enables IEED to engage in a consultation process with... Assistant Director for Information Resources. BILLING CODE 4310-4M-P...

  5. Agreements for energy and environment; Patto per l'energia e l'ambiente

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-07-01

    In this paper are reported in ambit of italian national conference of energy and environment, an agreement undersigned by deputy of political and social forces. [Italian] In questo documento e' illustrato il patto per l'energia e l'ambiente cui hanno aderito forze sociali e politiche del paese.

  6. 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.

  7. 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%.

  8. 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.

  9. 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.

  10. 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.

  11. 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).

  12. 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.

  13. 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.

  14. Spring agreement on energy conservation in new housing estate; Lente-akkoord energiebesparing in nieuwbouw

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2008-04-15

    Energy use in new shops, houses and offices will have been reduced with 50% in 2015 compared to today. That is the core of the agreement on energy saving in new housing estates established by the Dutch Ministry of Housing, Spatial Planning and the Environment (VROM) with the Dutch organizations Vereniging van Nederlandse Projectontwikkelingmaatschapijen (NEPROM), Vereniging voor Ontwikkelaars en Bouwondernemers (NVB) and Bouwend Nederland. The Agreement is one of the sector agreements that was announced in the memorandum 'New energy for the climate' (more familiar by the name of the programme 'Clean and Efficient'). The memorandum is the starting point for climate policy in this cabinet term. [mk]. [Dutch] Het energiegebruik in nieuwe winkels, woningen en kantoren zal in 2015 met 50% zijn gereduceerd ten opzichte van nu. Dat is de kern van het akkoord over energiebesparing in de nieuwbouw dat het ministerie van VROM heeft gesloten met de Vereniging van Nederlandse Projectontwikkelingmaatschapijen (NEPROM), Vereniging voor Ontwikkelaars en Bouwondernemers (NVB) en Bouwend Nederland. Het akkoord is een van de sectorakkoorden die in de nota 'Nieuwe energie voor het klimaat' (beter bekend onder de naam van het programma 'Schoon en Zuinig') is aangekondigd. De nota is in deze het uitgangspunt voor het klimaatbeleid.

  15. Obstacles to the nuclear technology development in Brazil: from the beginning of atomic age to the Brazil-Germany Nuclear Agreement; Entraves ao desenvolvimento da tecnologia nuclear no Brasil: dos primordios da era atomica ao Acordo Nuclear Brasil-Alemanha

    Energy Technology Data Exchange (ETDEWEB)

    Medeiros, Tharsila Reis de

    2005-07-01

    This paper intends to comprehend the Brazilian social actors' efforts applied to the nuclear energy control, from the beginning of Atomic Age to Brazil-Germany Nuclear Agreement. It tries to demonstrate that the limits of The Brazilian nuclear development in this period derive from the capitalist development dynamics in Brazil and from the absence of continuity on the motivations of its nuclear policy. (author)

  16. 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.

  17. Miscellaneous agreements between the U.S. Department of Energy and Federal, State, and local agencies.

    Energy Technology Data Exchange (ETDEWEB)

    Meincke, Carol L.

    2010-08-01

    This document identifies and provides access to source documentation for the Site- Wide Environmental Impact Statement for Sandia National Laboratories/New Mexico. Specifically, it lists agreements between the U.S. Department of Energy (DOE), the National Nuclear Security Administration (NNSA), DOE/NNSA/Sandia Site Office (SSO), Sandia Corporation, and local and state government agencies, Department of Defense, Kirtland Air Force Base, and other federal agencies.

  18. 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.

  19. 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.

  20. Brazil and the strengthening of safeguard system of the International Atomic Energy Agency: from the four-part agreement to the additional protocol; O Brasil e o fortalecimento do sistema de salvaguardas da Agencia Internacional de Energia Atomica: do acordo quadripartite ao protocolo adicional

    Energy Technology Data Exchange (ETDEWEB)

    Moura, Carmen Lidia Richter Ribeiro

    2001-07-01

    The main objective of this paper is to analyse the evolution of IAEA verification system, that constitutes one of the main fundaments of the Non-proliferation nuclear weapons regimen, and to point out elements that contribute to inform the Brazilian position related to the Model Protocol additional to agreements for safeguard application: instrument that comprehend the most recent multilateral efforts of the nuclear verification

  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. The Signing of the U.S.-India Agreement Concerning Peaceful Uses of Nuclear Energy

    Directory of Open Access Journals (Sweden)

    Jörn Müller

    2009-02-01

    Agreement has been formally concluded, this note will outline its background and its contents and give a brief assessment of its compatibility with and its impact on the international nuclear non-proliferation regime. The first part of the note will give a short overview of the international non-proliferation regime relevant for the US-India Agreement. The second part will deal with the evolution of the Agreement and will give some background information on the Indian nuclear program. The third part will give a preliminary assessment of the Agreement’s impact on the global non-proliferation regime.



    [1]        The agreement is available in full text at http://www.state.gov/r/pa/prs/ps/2007/ aug/90050.htm (last visited 5 November 2008. It is also sometimes termed as “123 Agreement”, referring to section 123 of the US Atomic Energy Act of 1954, Pub. L. 109-401, 68 Stat. 919, which lays down the requirements under US domestic law for nuclear cooperation with other States.

    [2]        Kesav Murthy Wable, The U.S.-India Strategic Nuclear Partnership: A Debilitating Blow to the Non-Proliferation Regime, Brooklyn Journal of International Law 33 (2008 719-759.

  3. 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.

  4. Additional protocol between France, EURATOM and IAEA. 2001-2002 ordinary session. Project of law authorizing the ratification of the additional protocol to the agreement between France, the European Atomic Energy Community and the International Atomic Energy Agency relative to the application of warranties in France; Protocole additionnel entre la France, Euratom et l'AIEA. Session ordinaire de 2001-2002. Projet de loi autorisant la ratification du protocole additionnel a l'accord entre la France, la Communaute europeenne de l'energie atomique et l'Agence internationale de l'energie atomique relatif a l'application de garanties en France

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

    This additional protocol to the agreement between France, EURATOM and the IAEA aims at reinforcing the nuclear weapons non-proliferation regime. This protocol widens the field of competences of the IAEA with the supply of new information relative to: the civil nuclear cooperation between France and countries having no nuclear weapons in the domain of fuel cycle; the regular inspection of French nuclear facilities; the trade (import and export) of medium- or high-level radioactive wastes containing plutonium, highly enriched uranium or {sup 233}U, and the trade of some non-nuclear equipments or materials with countries having no nuclear weapons. The protocol defines also some practical dispositions relative to the delays and periodicity of controls, to the transmission of data, to the appointment of IAEA inspectors and their access to the facilities and sites considered. The list of the activities and equipments covered by the protocol are given in appendixes. (J.S.)

  5. 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.

  6. 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.

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

    Science.gov (United States)

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

    2002-05-01

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

  8. The energy agreement: what does it mean? Assessment of the agreements made; Het Energieakkoord. Wat gaat het betekenen? Inschatting van de gemaakte afspraken

    Energy Technology Data Exchange (ETDEWEB)

    Londo, M. [ECN Beleidsstudies, Amsterdam (Netherlands); Boot, P. [Planbureau voor de Leefomgeving PBL, Den Haag (Netherlands)

    2013-09-01

    The SER (Social and Economic Council of the Netherlands) Energy Agreement for Sustainable Growth outlines the ambition to provide a long-term perspective for the Dutch energy economy with short and medium term agreements. Therefore, a large number of concrete measures and elaborations are agreed upon. Quantitative assessments are made of the effects for 2020-2023. Because there are almost no concrete measures for a longer period and the uncertainties are increasing for the longer term, calculations were not carried out for years after 2023. The extent to which the agreed steps contribute to the necessary building blocks for the energy transition in the long term is assessed qualitatively. Agreed targets in the agreement are: (1) A reduction in final energy consumption by an average of 1.5% per year; (2) 100 PJ energy conservation in final energy consumption in 2020; (3) 14% renewable energy by 2020 and 16% in 2023; (4) at least 15,000 jobs with an emphasis on the next few years [Dutch] Het SER-Energieakkoord voor duurzame groei schetst als ambitie het bieden van een langetermijnperspectief voor onze energiehuishouding met afspraken voor de korte en middellange termijn. Het is daartoe een groot aantal concrete maatregelen en nadere uitwerkingen overeengekomen. ECN/PBL hebben met het EIB een kwantitatieve doorrekening gemaakt van de effecten voor 2020/23. Omdat er vrijwel geen concrete maatregelen zijn afgesproken die gericht zijn op een verder liggende periode en de onzekerheden op langere termijn steeds meer toenemen, is geen doorrekening voor latere jaren gemaakt. De mate waarin de afgesproken stappen bijdragen aan de nodige bouwstenen voor de energietransitie op langere termijn is kwalitatief beoordeeld. Afgesproken doelen in het akkoord zijn: (1) Een besparing van het finale energieverbruik met gemiddeld 1,5% per jaar; (2) 100 PJ besparing in het finale energieverbruik in 2020; (3) 14% hernieuwbare energie in 2020 en 16% in 2023; (4) Tenminste 15.000 banen met

  9. 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.

  10. 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.}

  11. The energy supply agreement. General conditions for the supply of energy to consumers; De energieleveringsovereenkomst. Algemene voorwaarden voor de levering van energie aan consumenten

    Energy Technology Data Exchange (ETDEWEB)

    Loos, M.B.M.

    1998-01-14

    The supply of energy by an energy company is, according to the author a special form of purchase. In the right of purchase, however, no attention is paid to the existence of continuous agreements of purchase. In practice use is made of supply conditions in which the rights and obligations of both the energy company and the consumer are formulated in detail. However, the right of purchase and the agreements do not fit well. The author concludes that a limited legal regulation is required for which he takes the initiative in the last chapter of this thesis

  12. Many-body approximations for atomic binding energies

    CERN Document Server

    Schuster, Micah D; Staker, Joshua T

    2011-01-01

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

  13. The International Energy Agency's implementing agreement on hybrid and electric vehicles

    Energy Technology Data Exchange (ETDEWEB)

    Thibodeau, C. [Natural Resources Canada, Ottawa, ON (Canada). Office of Energy Efficiency

    2007-07-01

    This presentation discussed implementing agreements and programs developed by the International Energy Agency (IEA) for hybrid and electric vehicles. The agreement was designed to provide an international platform for the coordination of ideas, themes, and technologies related to hybrid and electric vehicles. Industries, governments, and users must also communicate to ensure the successful deployment of new technologies, laws and incentives. International collaboration programs will lower the cost for implementing new technologies in addition to enhancing information exchange. The IEA's Hybrid Electric Vehicles (IA-HEV) program was designed to promote pre-competitive research projects and provide information on hybrid vehicles and their impacts on energy efficiency and the environment. Annex groups related to the program include: (1) an information exchange on HEV technologies and programs; (2) an annex on hybrid electric vehicles; (3) clean city vehicles; (4) electrochemical systems; (5) electric cycles; (6) heavy-duty hybrid vehicles; (7) fuel cells for vehicles; and (8) deployment of HEVs. The Hybrid and Electric Vehicles Annex Group was established in 1994 to exchange information and prepare a series of reports on subjects related to components for hybrid vehicles, as well as on topics related to plug-in hybrid electric vehicles (PHEV). A new annex group has been proposed to study advanced battery technologies, policy issues, charging, marketability, and group administration. It was concluded that the group will report on progress and make all its research and findings available. Details of the IEA structure and governing board were provided. 6 figs.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. Voluntary Agreements for Energy Efficiency or GHG EmissionsReduction in Industry: An Assessment of Programs Around the World

    Energy Technology Data Exchange (ETDEWEB)

    Price, Lynn

    2005-06-01

    Voluntary agreements for energy efficiency improvement and reduction of energy-related greenhouse gas (GHG) emissions have been a popular policy instrument for the industrial sector in industrialized countries since the 1990s. A number of these national-level voluntary agreement programs are now being modified and strengthened, while additional countries--including some recently industrialized and developing countries--are adopting these type of agreements in an effort to increase the energy efficiency of their industrial sectors.Voluntary agreement programs can be roughly divided into three broad categories: (1) programs that are completely voluntary, (2) programs that use the threat of future regulations or energy/GHG emissions taxes as a motivation for participation, and (3) programs that are implemented in conjunction with an existing energy/GHG emissions tax policy or with strict regulations. A variety of government-provided incentives as well as penalties are associated with these programs. This paper reviews 23 energy efficiency or GHG emissions reduction voluntary agreement programs in 18 countries, including countries in Europe, the U.S., Canada, Australia, New Zealand, Japan, South Korea, and Chinese Taipei (Taiwan) and discusses preliminary lessons learned regarding program design and effectiveness. The paper notes that such agreement programs, in which companies inventory and manage their energy use and GHG emissions to meet specific reduction targets, are an essential first step towards GHG emissions trading programs.

  19. 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…

  20. Beyond an energy deal: Impacts of the Sino-Australia uranium agreement

    Energy Technology Data Exchange (ETDEWEB)

    Wu Jiaping [School for Social and Policy Research, Charles Darwin University, Darwin, NT 0909 (Australia)], E-mail: jiaping.wu@cdu.edu.au; Garnett, Stephen T.; Barnes, Tony [School for Social and Policy Research, Charles Darwin University, Darwin, NT 0909 (Australia)

    2008-01-15

    Is the spectacular growth of Sino-Australian trade compelling Australian policy-makers to strengthen strategic support for China in the face of traditional alliances? The recently signed trade agreement under which Australia will annually export 20,000 tonnes of uranium to China for power generation for the next 20 years, will feed China's increased energy demand, allow a reduction in dependence on coal-based energy and ameliorate environmental deterioration, all matters that have become critical to China's economic growth. Yet the uranium trade will contribute only slightly to China's energy needs, and to the Australian economy. However, the trade deal was signed even though China, as a nuclear military power, is a potential threat to Australia's strongest military ally, the US. At the same time it reignited a divisive debate in Australia, covering a wide range of political, social, economic, health and environmental policy areas that reach well beyond strategic relationships. That the Australian Government will risk both internal and external criticism seems to be further recognition that Australia is becoming increasingly dependent on the continued growth of China's economy for its prosperity.

  1. Beyond an energy deal: Impacts of the Sino-Australia uranium agreement

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Jiaping; Garnett, Stephen T.; Barnes, Tony [School for Social and Policy Research, Charles Darwin University, Darwin, NT 0909 (Australia)

    2008-01-15

    Is the spectacular growth of Sino-Australian trade compelling Australian policy-makers to strengthen strategic support for China in the face of traditional alliances? The recently signed trade agreement under which Australia will annually export 20,000 tonnes of uranium to China for power generation for the next 20 years, will feed China's increased energy demand, allow a reduction in dependence on coal-based energy and ameliorate environmental deterioration, all matters that have become critical to China's economic growth. Yet the uranium trade will contribute only slightly to China's energy needs, and to the Australian economy. However, the trade deal was signed even though China, as a nuclear military power, is a potential threat to Australia's strongest military ally, the US. At the same time it reignited a divisive debate in Australia, covering a wide range of political, social, economic, health and environmental policy areas that reach well beyond strategic relationships. That the Australian Government will risk both internal and external criticism seems to be further recognition that Australia is becoming increasingly dependent on the continued growth of China's economy for its prosperity. (author)

  2. 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.

  3. 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

  4. Training program to prepare the U.S. DOE laboratories for the entry into force of the protocol additional to the agreement between the United States of America and the International Atomic Energy Agency for the application of safeguards in the United

    Energy Technology Data Exchange (ETDEWEB)

    Boyer, Brian David [Los Alamos National Laboratory; Stevens, Rebecca C [Los Alamos National Laboratory; Uribe, Eva C [Los Alamos National Laboratory; Sandoval, M Analisa [Los Alamos National Laboratory; Valente, John N [Los Alamos National Laboratory; Valente, John U [BNL; Jo, Jae H [BNL; Sellen, Joana [U.S. DOE/NNSA; Wonder, Edward [QINETIQ-NORTH AMERICA

    2009-01-01

    National Laboratory, and Oak Ridge National Laboratory to cover the situations that these labs, which respectively represent nuclear weapons labs, nuclear energy labs, and science labs and environmental management sites, would encounter during a complementary access. Each of the three labs hosted a mock complementary access activity, which included mock inspectors from the BNL-LANL team. In addition to reviewing the draft declarations from each of the host labs, the BNL-LANL team conducted open source research in a manner similar to what IAEA inspectors would do to research the activities at a location and prepare questions for the location to answer and that would be the focus of a complementary access. The host labs and other labs attending the training found the training to be extremely useful and helpful in making sure that each lab's Additional Protocol team had made correct declarations of nuclear activities, had properly trained staff ready to host and answer IAEA inquiries, and would implement managed access during a complementary access that would provide access by the IAEA team to resolve questions or inconsistencies about a particular declaration and still protect the information addressed by Articles 1 and 7 of the U.S. AP.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

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

    CERN Document Server

    Pardy, Miroslav

    2016-01-01

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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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...

  8. 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.

  9. 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)

  10. 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.

  11. 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.

  12. 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…

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. An Energy Efficient Mutual Authentication and Key Agreement Scheme Preserving Anonymity for Wireless Sensor Networks.

    Science.gov (United States)

    Lu, Yanrong; Li, Lixiang; Peng, Haipeng; Yang, Yixian

    2016-06-08

    WSNs (Wireless sensor networks) are nowadays viewed as a vital portion of the IoTs (Internet of Things). Security is a significant issue in WSNs, especially in resource-constrained environments. AKA (Authentication and key agreement) enhances the security of WSNs against adversaries attempting to get sensitive sensor data. Various AKA schemes have been developed for verifying the legitimate users of a WSN. Firstly, we scrutinize Amin-Biswas's currently scheme and demonstrate the major security loopholes in their works. Next, we propose a lightweight AKA scheme, using symmetric key cryptography based on smart card, which is resilient against all well known security attacks. Furthermore, we prove the scheme accomplishes mutual handshake and session key agreement property securely between the participates involved under BAN (Burrows, Abadi and Needham) logic. Moreover, formal security analysis and simulations are also conducted using AVISPA(Automated Validation of Internet Security Protocols and Applications) to show that our scheme is secure against active and passive attacks. Additionally, performance analysis shows that our proposed scheme is secure and efficient to apply for resource-constrained WSNs.

  19. An Energy Efficient Mutual Authentication and Key Agreement Scheme Preserving Anonymity for Wireless Sensor Networks

    Science.gov (United States)

    Lu, Yanrong; Li, Lixiang; Peng, Haipeng; Yang, Yixian

    2016-01-01

    WSNs (Wireless sensor networks) are nowadays viewed as a vital portion of the IoTs (Internet of Things). Security is a significant issue in WSNs, especially in resource-constrained environments. AKA (Authentication and key agreement) enhances the security of WSNs against adversaries attempting to get sensitive sensor data. Various AKA schemes have been developed for verifying the legitimate users of a WSN. Firstly, we scrutinize Amin-Biswas’s currently scheme and demonstrate the major security loopholes in their works. Next, we propose a lightweight AKA scheme, using symmetric key cryptography based on smart card, which is resilient against all well known security attacks. Furthermore, we prove the scheme accomplishes mutual handshake and session key agreement property securely between the participates involved under BAN (Burrows, Abadi and Needham) logic. Moreover, formal security analysis and simulations are also conducted using AVISPA(Automated Validation of Internet Security Protocols and Applications) to show that our scheme is secure against active and passive attacks. Additionally, performance analysis shows that our proposed scheme is secure and efficient to apply for resource-constrained WSNs. PMID:27338382

  20. "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.

  1. 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.

  2. 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.

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

    Science.gov (United States)

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

    1995-09-01

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

  4. 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.

  5. Contracting in the energy market. The connection and transport agreement; Contracteren in de energiemarkt. De aansluit- en transportovereenkomst

    Energy Technology Data Exchange (ETDEWEB)

    Brinkman, M.E. [Stek, Amsterdam (Netherlands)

    2012-12-15

    The ever-changing regulatory framework of the energy market turns out to be an unruly climate for contracting. Private law agreements are sometimes difficult to fit in the framework of laws and regulations: it is usually a matter of bend or break. The connection and distribution agreement is a clear example. This article uses a number of thematically grouped, illustrative disputes to discuss the field of tension between private law connection and distribution agreements on the one hand and public laws and regulations in the Dutch energy market on the other hand. Specific attention is paid to the civil law solutions and bottlenecks and the lessons learned based on jurisprudence [Dutch] Het altijd veranderende regulatoire kader van de energiemarkt blijkt een weerbarstig klimaat om in te contracteren. Privaatrechtelijke overeenkomsten passen soms lastig in het stramien van de wet- en regelgeving: het blijkt veelal een kwestie van bend or break. De aansluit- en transportovereenkomst is daar een duidelijk voorbeeld van. In dit artikel wordt aan de hand van een aantal thematisch gegroepeerde illustratieve geschillen het spanningsveld besproken tussen privaatrechtelijke aansluit- en transportovereenkomsten enerzijds en de publiekrechtelijke wet- en regelgeving in de Nederlandse energiemarkt anderzijds. Daarbij wordt specifiek aandacht besteed aan de civielrechtelijke oplossingen en knelpunten en de lessons learned op grond van de jurisprudentie.

  6. Sensory Agreement Guides Kinetic Energy Optimization of Arm Movements during Object Manipulation

    Science.gov (United States)

    Farshchiansadegh, Ali; Melendez-Calderon, Alejandro; Ranganathan, Rajiv; Murphey, Todd D.; Mussa-Ivaldi, Ferdinando A.

    2016-01-01

    The laws of physics establish the energetic efficiency of our movements. In some cases, like locomotion, the mechanics of the body dominate in determining the energetically optimal course of action. In other tasks, such as manipulation, energetic costs depend critically upon the variable properties of objects in the environment. Can the brain identify and follow energy-optimal motions when these motions require moving along unfamiliar trajectories? What feedback information is required for such optimal behavior to occur? To answer these questions, we asked participants to move their dominant hand between different positions while holding a virtual mechanical system with complex dynamics (a planar double pendulum). In this task, trajectories of minimum kinetic energy were along curvilinear paths. Our findings demonstrate that participants were capable of finding the energy-optimal paths, but only when provided with veridical visual and haptic information pertaining to the object, lacking which the trajectories were executed along rectilinear paths. PMID:27035587

  7. Sensory Agreement Guides Kinetic Energy Optimization of Arm Movements during Object Manipulation.

    Directory of Open Access Journals (Sweden)

    Ali Farshchiansadegh

    2016-04-01

    Full Text Available The laws of physics establish the energetic efficiency of our movements. In some cases, like locomotion, the mechanics of the body dominate in determining the energetically optimal course of action. In other tasks, such as manipulation, energetic costs depend critically upon the variable properties of objects in the environment. Can the brain identify and follow energy-optimal motions when these motions require moving along unfamiliar trajectories? What feedback information is required for such optimal behavior to occur? To answer these questions, we asked participants to move their dominant hand between different positions while holding a virtual mechanical system with complex dynamics (a planar double pendulum. In this task, trajectories of minimum kinetic energy were along curvilinear paths. Our findings demonstrate that participants were capable of finding the energy-optimal paths, but only when provided with veridical visual and haptic information pertaining to the object, lacking which the trajectories were executed along rectilinear paths.

  8. 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.

  9. INFX GUIDE: DEPARTMENT OF ENERGY BILATERAL AGREEMENTS FOR COOPERATION IN THE FIELD OF RADIOACTIVE WASTE MANAGEMENT (INFX: INTERNATIONAL INFORMATION EXCHANGE)

    Energy Technology Data Exchange (ETDEWEB)

    Harman, K. M.; Lakey, L. T.; Leigh, I. W.; Jeffs, A. G.

    1985-07-01

    As the U. S. Department of Energy (DOE) and DOE contractors have increased the magnitude and scope of their cooperative activities with other nations in the nuclear fuel cycle and waste management field, a need has developed for ready sources of information concerning foreign waste management programs, DOE technology exchange policies, bilateral fuel cycle and waste management agreements and plans and activities to implement those agreements. The INFX (International InLormation E~change) Guide is one of a series of documents that have been prepared to provide that information. The INFX Guide has been compiled under the charter of PNL's International Support Office (IPSO) to maintain for DOE a center to collect, organize, evaluate and disseminate information on foreign and international radioactive waste management programs. Because the information in this document is constantly subject to change, the document is assembled in loose-leaf form to accommodate frequent updates.

  10. Organization of regulatory instruments. Close-ups of energy agreements and environmental approvals; Organisering af styringsinstrumenter. Naerbilleder af energiaftaler og miljoegodkendelser

    Energy Technology Data Exchange (ETDEWEB)

    Holm Pedersen, L.; Rieper, O.; Hansen, P.

    1998-12-01

    Energy agreements were introduced in the 1990s as a tool which, via a central authority and integrated use of consultants, was intended to get the companies in question to improve their energy efficiency and thus reduce their impact on the environment in the form of CO{sub 2} emissions. The agreements give companies with energy-intensive production the possibility of achieving a reduction of their energy tax by entering into an agreement with the Danish Energy Agency. The agreements are, in principle, voluntary, but are often an economic `must` for the companies. Unlike energy agreements, environmental approvals are obligatory for certain types of companies and are granted by a local authority (county or municipality), which supervises compliance with the approvals. The approvals include requirements concerning the companies` emissions, but do not normally make any requirements concerning their production processes. An energy agreement, on the other hand, focuses on uncovering actual possibilities for energy savings through energy inspections and requirements concerning an energy management system at the companies. About 7,000 companies have environmental approval and about 200 have entered into an energy agreement. Case studies based on qualitative interviews with the companies` managements, the regulatory authorities` case officers and the energy consultants. Case studies were carried out of energy agreements and environmental approvals at four companies selected to span the spectrum from small enterprises with a relatively simple pollution profile (two potato starch factories) to large companies with a complicated pollution profile (two foundries). The case studies gave a close understanding of the regulatory processes and insight into the relationships between them. On the other hand, they did not provide much basis for generalisation. The case studies show that there is an interaction between the different environmental aspects of the companies` production

  11. 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…

  12. 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...

  13. 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.

  14. 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

  15. 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.

  16. 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...

  17. 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.

  18. 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.

  19. 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.

  20. 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...

  1. Radial Quantitative Ultrasound and Dual Energy X-Ray Absorptiometry: Intermethod Agreement for Bone Status Assessment in Children

    Directory of Open Access Journals (Sweden)

    Kar Hau Chong

    2015-01-01

    Full Text Available Aim. To validate a radial quantitative ultrasound (QUS system with dual energy X-ray absorptiometry (DXA, a criterion technique in bone status assessment among children. Methods. Bone health was evaluated using a radial QUS system (Sunlight Omnisense 8000P to measure the speed of sound (SOS at one-third distal radius of the nondominant hand and DXA (Hologic QDR was used to assess whole body bone mineral density (BMD. Results. Some 29.9% of the children were grossly misclassified according to quartiles of BMD and radial SOS. Poor agreement was observed between Z-scores of radial SOS and whole-body BMD (mean difference = 0.6 ± 0.9; 95% limits of agreement = −1.4 to 2.6. With a cut-off value of −1.0, radial SOS yielded satisfactory sensitivity (80% and specificity (93% for the detection of children with low BMD. Conclusion. The observed poor agreement in the present study suggests that radial QUS and DXA are not comparable and hence are not interchangeable in evaluating bone status of the children.

  2. 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.).

  3. 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.

  4. 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.

  5. 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)

  6. 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.

  7. [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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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...

  13. 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.

  14. 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.

  15. Hydrogen atom wave function and eigen energy in the Rindler space

    CERN Document Server

    Dai, De-Chang

    2016-01-01

    We study the hydrogen atom eigenstate energy and wave function in the Rindler space. The probability distribution is tilted because the electric field of the nucleus is no longer spherically symmetric. The hydrogen atom therefore cannot be treated exactly in the same way as what it is in an inertial frame. We also find that if the external force accelerates only the nucleus and then the nucleus accelerates its surrounding electrons through electromagnetic force, the electrons can tunnel through the local energy gap and split the hydrogen atom into an ion. This is similar to what one expects from the Stark effect. However, the critical acceleration is about $3\\times 10^{22} m/s^2$. It is well beyond the gravitational acceleration on a regular star surface.

  16. Report made on behalf of the commission of foreign affairs about the law project, adopted by the Senate, authorizing the ratification of the agreement between the French Republic, the European Atomic Energy Community and the International Atomic Energy Agency relative to the enforcement of warranties in the framework of the treaty of nuclear weapons prohibition in South America and the Caribbeans area (two protocols together); Rapport fait au nom de la commission des affaires etrangeres sur le projet de loi, adopte par le senat, autorisant la ratification de l'accord entre la Republique francaise, la Communaute europeenne de l'energie atomique et l'Agence internationale de l'energie atomique relatif a l'application de garanties dans le cadre du traite visant l'interdiction des armes nucleaires en Amerique latine et dans les Caraibes (ensemble deux protocoles)

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

    This report comments the reasons of the signature of the agreement between France, EURATOM and the IAEA for the reinforcement of IAEA's non-proliferation controls in the South America and Caribbean areas (law project no. 1329). The ratification of this agreement will have only few concrete consequences but will contribute to the promotion of non-proliferation and to the enforcement of warranties in the framework of the treaty of interdiction of nuclear weapons in South America and in the Caribbean area (signed in Vienna, Austria, on March 21, 2000). The commission of foreign affairs adopted this law project on March 3, 2004. (J.S.)

  17. 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.

  18. 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.

  19. 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…

  20. 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...

  1. 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.

  2. 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)

  3. 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.

  4. 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

  5. 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

  6. 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.``

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. Physics and Its Multiple Roles in the International Atomic Energy Agency

    Science.gov (United States)

    Massey, Charles D.

    2017-01-01

    The IAEA is the world's centre for cooperation in the nuclear field. It was set up as the world's ``Atoms for Peace'' organization in 1957 within the United Nations family. The Agency works with its Member States and multiple partners worldwide to promote the safe, secure and peaceful use of nuclear technologies. Three main areas of work underpin the IAEA's mission: Safety and Security, Science and Technology, and Safeguards and Verification. To carry out its mission, the Agency is authorized to encourage and assist research on, and development and practical application of, atomic energy for peaceful uses throughout the world; foster the exchange of scientific and technical information on peaceful uses of atomic energy; and encourage the exchange of training of scientists and experts in the field of peaceful uses of atomic energy. Nowadays, nuclear physics and nuclear technology are applied in a great variety of social areas, such as power production, medical diagnosis and therapies, environmental protection, security control, material tests, food processing, waste treatments, agriculture and artifacts analysis. This presentation will cover the role and practical application of physics at the IAEA, and, in particular, focus on the role physics has, and will play, in nuclear security.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. The European Economic Area (EEA) agreement and the Norwegian energy policy; EOES-avtalen og norsk energipolitikk

    Energy Technology Data Exchange (ETDEWEB)

    Austvik, Ole Gunnar; Claes, Dag Harald

    2011-07-01

    The Norwegian energy policy has a long tradition of strong public management. Already in the early 1900s the state ensured the right of first refusal to any new power stations and ensured that the privately owned power plant should go without charge back to the state after 60 years. The development of the petroleum sector Since 1970 the number of the corresponding manner largely been controlled by the state through public companies and stronger regulations, which (in conjunction with Norwegian and foreign private companies) to ensure employment, skills and added value would get 'the whole nation as a whole.' The goals were national and the funding were interventionistic from the public side. EU internal market represents in turn a far more liberal ideology, and promotes neutral nation competition for the benefit of the whole of the European Economic cooperation area (EEA). In the internal market the state's role is largely limited to being regulator of economic activities undertaken by private actors. Here are the goal European and the the funds are regulatory. The two models are met through the EEA agreement, both in terms of who the policy is going to work for and how it should be exercised. On the energy policy area these two major challenges creates for Norway: firstly, as a producer and exporter of oil and gas, economic and political interests are not always in line with the EU's interests as a consumer and importer of energy, for the second we have a tradition of a stronger governance of the energy sector than the EU internal market calls for. While not exist EEA Agreement in a vacuum.The changes in the petroleum regime in 2001-2002 through partial privatization of Statoil, the first gas directive and the case against the Gas Negotiating Committee (GFU) must be seen in context. Change is due to the mature of the petroleum sector, market development,development of the infrastructure and general international liberal economic trends that EEA

  18. The European Economic Area (EEA) agreement and the Norwegian energy policy; EOES-avtalen og norsk energipolitikk

    Energy Technology Data Exchange (ETDEWEB)

    Austvik, Ole Gunnar; Claes, Dag Harald

    2011-07-01

    The Norwegian energy policy has a long tradition of strong public management. Already in the early 1900s the state ensured the right of first refusal to any new power stations and ensured that the privately owned power plant should go without charge back to the state after 60 years. The development of the petroleum sector Since 1970 the number of the corresponding manner largely been controlled by the state through public companies and stronger regulations, which (in conjunction with Norwegian and foreign private companies) to ensure employment, skills and added value would get 'the whole nation as a whole.' The goals were national and the funding were interventionistic from the public side. EU internal market represents in turn a far more liberal ideology, and promotes neutral nation competition for the benefit of the whole of the European Economic cooperation area (EEA). In the internal market the state's role is largely limited to being regulator of economic activities undertaken by private actors. Here are the goal European and the the funds are regulatory. The two models are met through the EEA agreement, both in terms of who the policy is going to work for and how it should be exercised. On the energy policy area these two major challenges creates for Norway: firstly, as a producer and exporter of oil and gas, economic and political interests are not always in line with the EU's interests as a consumer and importer of energy, for the second we have a tradition of a stronger governance of the energy sector than the EU internal market calls for. While not exist EEA Agreement in a vacuum.The changes in the petroleum regime in 2001-2002 through partial privatization of Statoil, the first gas directive and the case against the Gas Negotiating Committee (GFU) must be seen in context. Change is due to the mature of the petroleum sector, market development,development of the infrastructure and general international liberal economic trends that EEA

  19. 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.

  20. 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).

  1. 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.

  2. 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".

  3. 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.

  4. 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

  5. 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...

  6. 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

  7. Background information on the estimation of short-term effects of the Energy Agreement for Sustainable Growth on renewable energy; Toelichting inschatting korte-termijneffecten Energieakkoord op hernieuwbare energie

    Energy Technology Data Exchange (ETDEWEB)

    Hekkenberg, M.; Londo, H.M.; Lensink, S.M. [ECN Beleidsstudies, Petten (Netherlands)

    2013-09-01

    On September 4, 2013, representatives of employers' associations, trade union federations, environmental organizations, the Dutch government and civil society have signed an Energy Agreement for Sustainable Growth. ECN and PBL have been asked to evaluate this agreement. This report gives background information on the evaluation of the measures aimed at improving energy efficiency in industry and agriculture [Dutch] Op 4 september 2013 is het 'Energieakkoord voor duurzame groei' getekend. ECN en PBL zijn gevraagd het akkoord te beoordelen en door te rekenen. Dit rapport dient als achtergronddocument bij de doorrekening van de maatregelen gericht op energiebesparing in de industrie en land- en tuinbouw.

  8. Results and prospects Energy efficiency of MEE businesses in the Netherlands. Evaluation of the Long-term agreements energy efficiency MEE; Resultaten en vooruitzichten Energieefficientie MEE bedrijven in Nederland. Evaluatie Meerjaren afspraken energie efficientie MEE

    Energy Technology Data Exchange (ETDEWEB)

    Walrecht, A.; Harmsen, H.; Steinbusch, K.

    2013-09-15

    The 'Long-Term Agreements on Energy Efficiency (MEE, abbreviated in Dutch) concerns agreements between the government and companies on the effective and efficient use of energy. The objective of MEE is to realize energy efficiency improvement in affiliated companies and businesses. The purpose of the evaluation is to answer the questions: (a) To what extent has the MEE contributed to additional savings on top of the planned autonomous energy saving; (b) What is, as a result of the MEE agreements, in the next years, the expected energy efficiency improvement; and (c) What are the implementation costs for the Dutch government and industry in relation to the benefits? [Dutch] De Meerjarenafspraken Energie-Efficiency (MEE) betreft afspraken tussen de overheid en bedrijven over het effectiever en efficienter inzetten van energie. Het doel van de evaluatie is antwoord te geven op de vragen: (a) In hoeverre heeft de MEE bijgedragen aan extra energiebesparing; (b) Wat is, als gevolg van de MEE afspraken, in de volgende jaren de te verwachten energie efficiency verbetering?; (c) Wat zijn de uitvoeringslasten bij overheid en bedrijfsleven in verhouding tot de baten?.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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...

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Voluntary agreements for increasing energy-efficiency in industry: Case study of a pilot project with the steel industry in Shandong Province, China

    Energy Technology Data Exchange (ETDEWEB)

    Price, Lynn; Worrell, Ernst; Sinton, Jonathan; Yun, Jiang

    2003-03-01

    China faces a significant challenge in the years ahead to continue to provide essential materials and products for a rapidly-growing economy while addressing pressing environmental concerns. China's industrial sector is heavily dependent on the country's abundant, yet polluting, coal resources. While tremendous energy conservation and environmental protection achievements were realized in the industrial sector in the past, there remains a great gulf between the China's level of energy efficiency and that of the advanced countries of the world. Internationally, significant energy efficiency improvement in the industrial sector has been realized in a number of countries using an innovative policy mechanism called Voluntary Agreements. This paper describes international experience with Voluntary Agreements in the industrial sector as well as the development of a pilot program to test the use of such agreements with two steel mills in Shandong Province, China.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. Background information for the SER Energy Agreement for Sustainable Growth calculations. Sectors Industry, Agriculture and Horticulture; Achtergronddocument bij doorrekening Energieakkoord. Sectoren industrie en land- en tuinbouw

    Energy Technology Data Exchange (ETDEWEB)

    Wetzels, W. [ECN Beleidsstudies, Petten (Netherlands)

    2013-09-01

    On September 4, 2013, representatives of employers' associations, trade union federations, environmental organizations, the Dutch government and civil society have signed an Energy Agreement for Sustainable Growth. ECN and PBL have been asked to evaluate this agreement. This report gives background information on the evaluation of the measures aimed at improving energy efficiency in industry and agriculture [Dutch] Op 4 september 2013 is het 'Energieakkoord voor duurzame groei' getekend. ECN en PBL zijn gevraagd het akkoord te beoordelen en door te rekenen. Dit rapport dient als achtergronddocument bij de doorrekening van de maatregelen gericht op energiebesparing in de industrie en land- en tuinbouw.

  7. 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.

  8. 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.

  9. 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.

  10. Cold heteronuclear atom-ion collisions

    CERN Document Server

    Zipkes, Christoph; Ratschbacher, Lothar; Sias, Carlo; Köhl, Michael

    2010-01-01

    We study cold heteronuclear atom ion collisions by immersing a trapped single ion into an ultracold atomic cloud. Using ultracold atoms as reaction targets, our measurement is sensitive to elastic collisions with extremely small energy transfer. The observed energy-dependent elastic atom-ion scattering rate deviates significantly from the prediction of Langevin but is in full agreement with the quantum mechanical cross section. Additionally, we characterize inelastic collisions leading to chemical reactions at the single particle level and measure the energy-dependent reaction rate constants. The reaction products are identified by in-trap mass spectrometry, revealing the branching ratio between radiative and non-radiative charge exchange processes.

  11. 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

  12. 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.

  13. 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…

  14. 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...

  15. 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.)

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Voluntary agreements, implementation and efficiency. Swedish country study report. Covering the EKO-Energi programme. With case studies in pulp and paper and heavy vehicle manufacturing

    Energy Technology Data Exchange (ETDEWEB)

    Kaagstroem, Jonas; Aastrand, Kerstin; Helby, Peter

    2000-03-01

    The VAIE research project is concerned with voluntary agreements for improvement of industrial energy efficiency in five European countries. This national report deals with the Swedish EKO-Energi agreements. It includes case studies in pulp and paper and heavy vehicle manufacturing. The first chapter presents the principal aspects of the Swedish EKO-Energi programme, explains the selection of companies for case studies, and summarises the results of the national study. The chapter shows the EKO-Energi programme to be directed at a fairly exclusive part of Swedish industry, namely environmental front-runners striving for EMAS or ISO 14001 certification. It provides them with paid energy audits and with marketing support. It requires them to establish an energy management system, i.e. to include energy efficiency issues in their certification process. The agreements are 'soft' in the sense that they address mainly organisational issues, are based much on trust in the companies own dedication to improvement, and are very informal in the monitoring. On the balance, the EKO-Energi programme would seem to be a small, but reasonably effective programme, contributing particularly to such organisational developments as are important for long-term trends in industrial energy efficiency. The second chapter provides a brief introduction to the whole VAIE project and outlines the methodology of the study, explained in more detail in a separate report. The third chapter describes the progress of the EKO-Energi programme from policy formulation to implementation, and assesses a number of hypotheses concerning this process. Support is found for the hypotheses (a) that voluntary agreements tend to exclude the influence of third parties, (b) that they tend to continue the logic of previous policies, and (c) that expected short term energy savings tend to be very close to the baseline scenario. The fourth chapter describes how agreements with individual companies are made

  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. 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.

  5. 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.

  6. 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 ...

  7. 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).

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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...

  14. 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.

  15. 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.

  16. 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...

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

    CERN Document Server

    Artemiev, A N; Yerokhin, V A

    1995-01-01

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

  18. 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.

  19. 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...

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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 ...

  7. 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...

  8. 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.

  9. 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.

  10. Effective atomic numbers and electron densities of some human tissues and dosimetric materials for mean energies of various radiation sources relevant to radiotherapy and medical applications

    Science.gov (United States)

    Kurudirek, Murat

    2014-09-01

    Effective atomic numbers, Zeff, and electron densities, neff, are convenient parameters used to characterise the radiation response of a multi-element material in many technical and medical applications. Accurate values of these physical parameters provide essential data in medical physics. In the present study, the effective atomic numbers and electron densities have been calculated for some human tissues and dosimetric materials such as Adipose Tissue (ICRU-44), Bone Cortical (ICRU-44), Brain Grey/White Matter (ICRU-44), Breast Tissue (ICRU-44), Lung Tissue (ICRU-44), Soft Tissue (ICRU-44), LiF TLD-100H, TLD-100, Water, Borosilicate Glass, PAG (Gel Dosimeter), Fricke (Gel Dosimeter) and OSL (Aluminium Oxide) using mean photon energies, Em, of various radiation sources. The used radiation sources are Pd-103, Tc-99, Ra-226, I-131, Ir-192, Co-60, 30 kVp, 40 kVp, 50 kVp (Intrabeam, Carl Zeiss Meditec) and 6 MV (Mohan-6 MV) sources. The Em values were then used to calculate Zeff and neff of the tissues and dosimetric materials for various radiation sources. Different calculation methods for Zeff such as the direct method, the interpolation method and Auto-Zeff computer program were used and agreements and disagreements between the used methods have been presented and discussed. It has been observed that at higher Em values agreement is quite satisfactory (Dif.<5%) between the adopted methods.

  11. 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

  12. Effective atomic number and electron density of amino acids within the energy range of 0.122-1.330 MeV

    Science.gov (United States)

    More, Chaitali V.; Lokhande, Rajkumar M.; Pawar, Pravina P.

    2016-08-01

    Photon attenuation coefficient calculation methods have been widely used to accurately study the properties of amino acids such as n-acetyl-L-tryptophan, n-acetyl-L-tyrosine, D-tryptophan, n-acetyl-L-glutamic acid, D-phenylalanine, and D-threonine. In this study, mass attenuation coefficients (μm) of these amino acids for 0.122-, 0.356-, 0.511-, 0.662-, 0.884-, 1.170, 1.275-, 1.330-MeV photons are determined using the radio-nuclides Co57, Ba133, Cs137, Na22, Mn54, and Co60. NaI (Tl) scintillation detection system was used to detect gamma rays with a resolution of 8.2% at 0.662 MeV. The calculated attenuation coefficient values were then used to determine total atomic cross sections (σt), molar extinction coefficients (ε), electronic cross sections (σe), effective atomic numbers (Zeff), and effective electron densities (Neff) of the amino acids. Theoretical values were calculated based on the XCOM data. Theoretical and experimental values are found to be in a good agreement (error<5%). The variations of μm, σt, ε, σe, Zeff, and Neff with energy are shown graphically. The values of μm, σt, ε, σe are higher at lower energies, and they decrease sharply as energy increases; by contrast, Zeff and Neff were found to be almost constant.

  13. 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.

  14. 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)...

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. Cooperative monitoring of regional security agreements

    Energy Technology Data Exchange (ETDEWEB)

    Pregenzer, A.L.; Vannoni, M.; Biringer, K.L.

    1995-08-01

    This paper argues that cooperative monitoring plays a critical role in the implementation of regional security agreements and confidence building measures. A framework for developing cooperative monitoring options is proposed and several possibilities for relating bilateral and regional monitoring systems to international monitoring systems are discussed. Three bilateral or regional agreements are analyzed briefly to illustrate different possibilities: (1) the demilitarization of the Sinai region between Israel and Egypt in the 1970s; (2) the 1991 quadripartite agreement for monitoring nuclear facilities among Brazil, Argentina, The Argentine-Brazilian Agency for Accounting and Control of Nuclear Materials and the International Atomic Energy Agency; and (3) a bilateral Open Skies agreement between Hungary and Romania in 1991. These examples illustrate that the relationship of regional or bilateral arms control or security agreements to international agreements depends on a number of factors: the overlap of provisions between regional and international agreements; the degree of interest in a regional agreement among the international community; efficiency in implementing the agreement; and numerous political considerations.Given the importance of regional security to the international community, regions should be encouraged to develop their own infrastructure for implementing regional arms control and other security agreements. A regional infrastructure need not preclude participation in an international regime. On the contrary, establishing regional institutions for arms control and nonproliferation could result in more proactive participation of regional parties in developing solutions for regional and international problems, thereby strengthening existing and future international regimes. Possible first steps for strengthening regional infrastructures are identified and potential technical requirements are discussed.

  20. 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

  1. KK—vacancy sharing and TET energy shift in near—symmetric heavy—ion atom collision

    Institute of Scientific and Technical Information of China (English)

    LiJing-Wen; JiangLi-Yang; 等

    1998-01-01

    The two-electron-one photon transitions(TET) are measured in 75MeV Ni+q+Cu collisons.The KK-vacancy sharing ratio RKK is deduced,which is in agreement with the theoretical prediction of Lennard.The emission energy of TET is slightly larger than twice the correspoding K transition energy.

  2. 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

  3. 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.)

  4. 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 ...

  5. 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 ...

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. Voluntary agreements, implementation and efficiency. Swedish country study report. Covering the EKO-Energi programme. With case studies in pulp and paper and heavy vehicle manufacturing

    Energy Technology Data Exchange (ETDEWEB)

    Kaagstroem, Jonas; Aastrand, Kerstin; Helby, Peter

    2000-03-01

    The VAIE research project is concerned with voluntary agreements for improvement of industrial energy efficiency in five European countries. This national report deals with the Swedish EKO-Energi agreements. It includes case studies in pulp and paper and heavy vehicle manufacturing. The first chapter presents the principal aspects of the Swedish EKO-Energi programme, explains the selection of companies for case studies, and summarises the results of the national study. The chapter shows the EKO-Energi programme to be directed at a fairly exclusive part of Swedish industry, namely environmental front-runners striving for EMAS or ISO 14001 certification. It provides them with paid energy audits and with marketing support. It requires them to establish an energy management system, i.e. to include energy efficiency issues in their certification process. The agreements are 'soft' in the sense that they address mainly organisational issues, are based much on trust in the companies own dedication to improvement, and are very informal in the monitoring. On the balance, the EKO-Energi programme would seem to be a small, but reasonably effective programme, contributing particularly to such organisational developments as are important for long-term trends in industrial energy efficiency. The second chapter provides a brief introduction to the whole VAIE project and outlines the methodology of the study, explained in more detail in a separate report. The third chapter describes the progress of the EKO-Energi programme from policy formulation to implementation, and assesses a number of hypotheses concerning this process. Support is found for the hypotheses (a) that voluntary agreements tend to exclude the influence of third parties, (b) that they tend to continue the logic of previous policies, and (c) that expected short term energy savings tend to be very close to the baseline scenario. The fourth chapter describes how agreements with individual companies are made

  1. 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.

  2. 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.

  3. Agreement technologies

    CERN Document Server

    Ossowski, Sascha

    2013-01-01

    More and more transactions, whether in business or related to leisure activities, are mediated automatically by computers and computer networks, and this trend is having a significant impact on the conception and design of new computer applications. The next generation of these applications will be based on software agents to which increasingly complex tasks can be delegated, and which interact with each other in sophisticated ways so as to forge agreements in the interest of their human users. The wide variety of technologies supporting this vision is the subject of this volume. It summarises

  4. 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...

  5. Background information for the SER Energy Agreement for Sustainable Growth calculations. Sector Built Environment; Achtergronddocument bij doorrekening SER Energieakkoord. Sector Gebouwde omgeving

    Energy Technology Data Exchange (ETDEWEB)

    Menkveld, M.; Tigchelaar, C. [ECN Beleidsstudies, Petten (Netherlands)

    2013-09-01

    This publication is part of the support given by ECN and PBL in the development of a national energy agreement between March and September 2013 as initiated by the SER (Social and Economic Council of the Netherlands). The report gives background information on the evaluation of measures in the agreement aimed at the built environment. It is an annex of the general evaluation of PBL/ECN [Dutch] Dit rapport is geschreven als onderdeel van de ondersteuning door ECN en PBL bij het tot stand komen van het energieakkoord in de periode maart tot september 2013. Dit rapport dient als achtergrond bij de doorrekening van de maatregelen gericht op energiebesparing in de gebouwde omgeving.

  6. Energy agreement Brazil-German and the perspectives of institutional cooperation in renewable energy sector; Acordo energetico Brasil-Alemanha e as perpectivas de cooperacao institucional no campo das energias renovaveis

    Energy Technology Data Exchange (ETDEWEB)

    Guimaraes, Patricia Borba Vilar; Xavier, Yanko Marcius de Alencar [Agencia Nacional do Petroleo, Gas Natural e Biocombustiveis (ANP), Brasilia, DF (Brazil). Programa de Recursos Humanos em Direito do Petroleo, Gas Natural e Biocombustiveis

    2009-08-15

    This work examine the purpose of institutional relations between Brazil and Germany, which are now consolidated in the political, economic, cultural and social development, by virtue of the intense cooperation that has been developed over recent years through numerous public and private entities of both countries.The sector of energy production, strategic for national development, was signed in May 2008, an energy agreement that is part of the action plan of the strategic joint German-Brazilian, demonstrating that Brazil and Germany hold similar views regarding the discussion of the energy sector, in particular, renewable energy.

  7. 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.

  8. 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.

  9. 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.

  10. Energy efficiency clauses in charter party agreements legal and economic perspectives and their application to ocean grain transport

    CERN Document Server

    Psarros, George Adamantios

    2017-01-01

    This book provides practical solutions for addressing energy efficiency as a clause term within a charter party contract. For this, upon a reflection of the regulatory craft, it analyzes key concepts of case law, and discusses them together with commercial and economic principles. In this way, the book aims at offering a comprehensive, interdisciplinary view of the chartering process, together with a new approach for safeguarding energy efficiency investments. A special emphasis is given to the maritime industry. Here, the newly developed framework, based on game theory, has been successfully applied to demonstrate the importance of including a clause term in contract negotiation to achieve protection against both an uncertain market and an even more challenging shipping environment. The book not only fills a gap in the literature, covering a topic that has been largely neglected to date, yet it offers researchers and practitioners extensive information to change the chartering process radically.

  11. 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…

  12. 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

  13. 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...

  14. 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.

  15. The Beginning of Japan Nuclear Power:Japan-U.K Atomic Agreement in 1958%日本核电的开端:1958年日英原子能协定

    Institute of Scientific and Technical Information of China (English)

    陈巍

    2011-01-01

    It was in the late 1950s that the nuclear technique developed quickly,nuclear power generation had got access to the practical stage.Japan,the only country that had been attacked by atomic bomb in the world,began to develop and introduced urgently the nuclear equipments and technologies.The Japan-U.K Atomic Agreement signed by Japan and Britain jointly was a milestone which indicated that Japan made use of the nuclear power generation for the first time after introducing gas-cooled reactor.Although Japan had comprised in the negotiation because of the need for the help from Britain,the signed agreement and introduction of nuclear equipments established a new era for the Japanese history of usage of nuclear power.%20世纪50年代后期,世界核能和平利用技术迅速发展,核能发电已进入实用阶段。作为世界上唯一受过原子弹轰炸国家的日本,由于预计到未来能源的短缺,开始迫切地发展和引进核电设备和技术。这一时期通过与英国签定《日英原子能一般协定》,引进气冷式反应堆发电所,开启了日本核能发电之滥觞。虽然在交涉中,由于在技术上有求于人,日本作了不少让步,但《协定》的达成和核能设备的引进,却开辟了日本利用核能的新时代。

  16. 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).

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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 ($i$...

  3. 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.

  4. FFTF Authorization Agreement

    Energy Technology Data Exchange (ETDEWEB)

    DAUTEL, W.A.

    2000-02-25

    The purpose of the Authorization Agreement is to serve as a mechanism whereby the U.S. Department of Energy, Richland Operations Office (RL) and Fluor Hanford (FH) jointly clarify and agree to key conditions for conducting work safely and efficiently.

  5. Coulombic free energy and salt ion association per phosphate of all-atom models of DNA oligomer: dependence on oligomer size.

    Science.gov (United States)

    Shkel, Irina A; Record, M Thomas

    2012-08-23

    We investigate how the coulombic Gibbs free energy and salt ion association per phosphate charge of DNA oligomers vary with oligomer size (i.e. number of charged residues ∣ZD∣) at 0.15 M univalent salt by non-linear Poisson Boltzmann (NLPB) analysis of all-atom DNA models. Calculations of these quantities ([Formula: see text], [Formula: see text]) are performed for short and long double-stranded (ds) and single-stranded (ss) DNA oligomers, ranging from 4 to 118 phosphates (ds) and from 2 to 59 phosphates (ss). Behaviors of [Formula: see text] and [Formula: see text] as functions of ∣ZD∣ provide a measure of the range of the coulombic end effect and determine the size of an oligomer at which an interior region with the properties (per charge) of the infinite-length polyelectrolyte first appears. This size (10-11 phosphates at each end for ds DNA and 6-9 for ss DNA at 0.15 M salt) is in close agreement with values obtained previously by Monte Carlo and NLPB calculations for cylindrical models of polyions, and by analysis of binding of oligocations to DNA oligomers. Differences in [Formula: see text] and in [Formula: see text] between ss and ds DNA are used to predict effects of oligomeric size and salt concentration on duplex stability in the vicinity of 0.15 M salt. Results of all-atom calculations are compared with results of less structurally detailed models and with experimental data.

  6. Photoionization of iodine atoms: Angular distributions and relative partial photoionization cross-sections in the energy region 11.0-23.0 eV

    Science.gov (United States)

    Eypper, Marie; Innocenti, Fabrizio; Morris, Alan; Dyke, John M.; Stranges, Stefano; West, John B.; King, George C.

    2010-08-01

    Relative partial photoionization cross-sections and angular distribution parameters, β, have been measured for the first, I+(P32)←I(P23/2), and fourth, I+(D12)←I(P23/2), (5p)-1 photoelectron (PE) bands of atomic iodine, by performing angle-resolved constant-ionic-state (CIS) measurements on these PE bands in the photon energy range 11.0-23.0 eV. Three Rydberg series, two ns and one nd series, which converge to the I+ P31 limit at 11.33 eV and four Rydberg series, two ns and two nd series, which converge to the I+ D12 limit at 12.15 eV were observed in the first PE band CIS spectra. The fourth band CIS spectrum showed structure in the 12.9-14.1eV photon energy range, which is also seen in the first band CIS spectra. This structure arises from excitation to ns and nd Rydberg states that are parts of series converging to the I+ S10 limit we reported on earlier, as well as 5s→5p excitations in the photon energy range 17.5-22.5 eV. These atomic iodine CIS spectra show reasonably good agreement with the equivalent spectra obtained for atomic bromine. The β-plots for the first PE band recorded up to the I+ P31 and I+ D12 limits only show resonances corresponding to some of the 5p→nd excitations observed in the first band CIS spectra scanned to the I+ D12 limit (12.15 eV). These plots are interpreted in terms of an angular momentum transfer model with the positive values of β obtained on resonances corresponding to parity allowed jt=1 and 3 channels and the off-resonance negative β values corresponding to parity unfavored channels, where jt is the quantum number for angular momentum transfer between the molecule, and the ion and photoelectron. The β-plots recorded for iodine are significantly different from those obtained for atomic bromine. Comparison of the experimental CIS spectra and β-plots with available theoretical results highlights the need for higher level calculations which include factors such as configuration interaction in the initial and final

  7. 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.

  8. 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 ...

  9. 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

  10. 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。

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Estimating the hydration enthalpies of neutral alkali metal atoms.

    Science.gov (United States)

    Stace, A J

    2006-10-26

    Using existing data on the ionization energies of alkali metal atoms in small clusters of water, a thermodynamic cycle is proposed from which the hydration enthalpies of the neutral metal atoms can be estimated. Where comparisons are possible, the results are in reasonable agreement with those obtained using both experimental and ab initio methods. Application of the thermodynamic cycle to neutral alkali metal atoms solvated in ammonia yields solvation enthalpies that are significantly lower than those obtained for water.

  17. 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.

  18. 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.

  19. 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.

  20. Co-operation agreement between the European Organization for Nuclear Research (CERN) and the Government of People's Republic of Bangladesh concerning Education, Scientific and Technical Co-operation in High-Energy Physics

    CERN Document Server

    2014-01-01

    Co-operation agreement between the European Organization for Nuclear Research (CERN) and the Government of People's Republic of Bangladesh concerning Education, Scientific and Technical Co-operation in High-Energy Physics

  1. Mr Bikash Sinha, Director of SAHA & VECC and Prof. Rolf Heuer, Director general of CERN, sign a collaboration agreements between SAHA (Saha Institute of Nuclear Physics), VECC (Variable Energy Cyclotron Centre), India and CERN ISOLDE.

    CERN Multimedia

    Maximilien Brice

    2009-01-01

    Mr Bikash Sinha, Director of SAHA & VECC and Prof. Rolf Heuer, Director general of CERN, sign a collaboration agreements between SAHA (Saha Institute of Nuclear Physics), VECC (Variable Energy Cyclotron Centre), India and CERN ISOLDE.

  2. Cooperation Agreement between the European Organization for Nuclear Research (CERN) and The Qatar Foundation for Education, Science and Community Development concerning Scientific and Technical Co-operation in High Energy Physics

    CERN Document Server

    2016-01-01

    Cooperation Agreement between the European Organization for Nuclear Research (CERN) and The Qatar Foundation for Education, Science and Community Development concerning Scientific and Technical Co-operation in High Energy Physics

  3. 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...

  4. 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.

  5. 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).

  6. 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.

  7. 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...

  8. Case Studies of integrated hydrogen systems. International Energy Agency Hydrogen Implementing Agreement, Final report for Subtask A of task 11 - Integrated Systems

    Energy Technology Data Exchange (ETDEWEB)

    Schucan, T. [Paul Scherrer Inst., Villigen PSI (Switzerland)

    1999-12-31

    Within the framework of the International Energy Agency Hydrogen Implementing Agreement, Task 11 was undertaken to develop tools to assist in the design and evaluation of existing and potential hydrogen demonstration projects. Emphasis was placed on integrated systems, from input energy to hydrogen end use. Included in the PDF document are the Executive Summary of the final report and the various case studies. The activities of task 11 were focused on near- and mid-term applications, with consideration for the transition from fossil-based systems to sustainable hydrogen energy systems. The participating countries were Canada, Italy, Japan, the Netherlands, Spain, Switzerland and the United States. In order for hydrogen to become a competitive energy carrier, experience and operating data need to be generated and collected through demonstration projects. A framework of scientific principles, technical expertise, and analytical evaluation and assessment needed to be developed to aid in the design and optimization of hydrogen demonstration projects to promote implementation. The task participants undertook research within the framework of three highly coordinated subtasks that focused on the collection and critical evaluation of data from existing demonstration projects around the world, the development and testing of computer models of hydrogen components and integrated systems, and the evaluation and comparison of hydrogen systems. While the Executive Summary reflects work on all three subtasks, this collection of chapters refers only to the work performed under Subtask A. Ten projects were analyzed and evaluated in detail as part of Subtask A, Case Studies. The projects and the project partners were: Solar Hydrogen Demonstration Project, Solar-Wasserstoff-Bayern, Bayernwerk, BMW, Linde, Siemens (Germany); Solar Hydrogen Plant on Residential House, M. Friedli (Switzerland); A.T. Stuart Renewable Energy Test Site; Stuart Energy Systems (Canada); PHOEBUS Juelich

  9. Supporting Technical Work Under IAEA Safeguards Agreements of 2013 Completed by Laboratory of Technical Research for Nuclear Safeguards

    Institute of Scientific and Technical Information of China (English)

    GAO; Qiang; LIU; Hong-bin; YANG; Qun; BU; Li-xin; MIAO; Qiang; HE; Li-xia; XU; Zheng; ZHANG; Wen-liang

    2013-01-01

    Safeguards applied by the International Atomic Energy Agency(IAEA)are an important element of the global nuclear non-proliferation regime.In order to verify that commitments made by states under safeguards agreements with the IAEA are fulfilled.China signed the voluntary offer agreement(INFCIRC/369)with IAEA in 1988.The agreement entered into force in 1989.There are three nuclear

  10. Embedded-atom Potential for Oxygen

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The analytic embedded-atom potential for oxygen is developed from the experimental data and the results of the first-principle. The potential is used to predict the geometries and energies of O3, fcc, bcc, sc and diamond. The predictions are in good agreement with experimental data available and other theoretical results.

  11. 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.

  12. Collisions of halogen (/sup 2/P) and rare gas (/sup 1/S) atoms. [Differential cross sections, elastic model, coupling potential energy, L-S coupling, multiplets

    Energy Technology Data Exchange (ETDEWEB)

    Becker, C.H.

    1978-12-01

    Differential cross sections I (THETA) at several collision energies measured in crossed molecular beam experiments are reported for several combinations of halogen atoms (/sup 2/P) scattered off rare gas-rare gas atoms (/sup 1/S/sub 0/), namely, F + Ne, F + Ar, F + Kr, F + Xe, C1 + Xe. The scattering is described by an elastic model appropriate to Hund's case c coupling. With the use of this model, the X 1/2, I 3/2, and II 1/2 interaction potential energy curves are derived by fitting calculated differential cross sections, based on analytic representations of the potentials, to the data. The F - Xe X 1/2 potential shows a significant bonding qualitatively different than for the other F-rare gases. The I 3/2 and II 1/2 potentials closely resemble the van der Waals interactions of the one electron richer ground state rare gas-rare gas systems. Coupled-channel scattering calculations are carried out for F + Ar, F + Xe, and C1 + Xe using the realistic potential curves derived earlier. The results justify the use of the elastic model, and give additional information on intramultiplet and intermultiplet transitions. The transitions are found to be governed by the crossing of the two ..cap omega.. = 1/2 potentials in the complex plane. The measured I (theta) and I (THETA) derived from the coupled-channel computations show small oscillations or perturbations (Stueckelberg oscillations) though quantitative agreement is not obtained.The nature of the anomalous F - Xe X 1/2 potential is discussed as is the approximation of a constant spin orbit coupling over the experimentally accessible range of internuclear distances for these open shell molecules. 55 references.

  13. 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

  14. 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.

  15. 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.

  16. Production of whole-tree chips for energy - a Danish perspective : Proceedings of a workshop of the International Energy Agency Bioenergy Agreement : task 12 forest management activity

    Energy Technology Data Exchange (ETDEWEB)

    Gamborg, C. [Danish Forest and Landscape Research Inst. (Denmark)

    1998-11-01

    Ways to increase the production of forest fuels in the form of whole-tree chips for energy were examined. About one half of the production of forest fuels is used by central energy producers such as district heating plants or combined power and heating plants, the rest of the forest biomass is used as firewood for the heating of private homes. This report assessed the effect of selected silviculture factors such as tree species, thinning program, and plant density on the production of wood chips. In Denmark, a plant density of 2,500 and 4,500 plants per hectare for Norway spruce is used in the forests. It was suggested that if plant density were increased to about 6,500 plants per hectare, volume production would increase by 30-50 percent depending on site quality. Plant densities above 6,500 plants per hectare would, however, diminish returns in volume production. It was emphasized that it is important to consider the environmental impact of whole-tree chip production for energy purposes to ensure that it does not degrade the forest ecosystem. Ways in which to increase biomass yield production under different silviculture systems were outlined for Norway spruce (east and west Denmark), Norway spruce with nurse trees (east and west Denmark), beech planted, beech planted with nurse trees, and beech natural regeneration. 22 refs., 12 tabs., 7 figs.

  17. 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.

  18. 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.

  19. 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.

  20. 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).

  1. 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

  2. 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.

  3. 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)

  4. Effective atomic numbers of blue topaz at different gamma-rays energies obtained from Compton scattering technique

    Energy Technology Data Exchange (ETDEWEB)

    Tuschareon, S., E-mail: tuscharoen@hotmail.com; Limkitjaroenporn, P., E-mail: tuscharoen@hotmail.com; Kaewkhao, J., E-mail: tuscharoen@hotmail.com [Center of Excellence in Glass Technology and Materials Science (CEGM), Nakhon Pathom Rajabhat University, Nakhon Pathom, 73000, Thailand and Science Program, Faculty of Science and Technology, Nakhon Pathom Rajabhat University, Nakhon Pathom, 73000 (Thailand)

    2014-03-24

    Topaz occurs in a wide range of colors, including yellow, orange, brown, pink-to-violet and blue. All of these color differences are due to color centers. In order to improve the color of natural colorless topaz, the most commonly used is irradiated with x- or gamma-rays, indicated that attenuation parameters is important to enhancements by irradiation. In this work, the mass attenuation coefficients of blue topaz were measured at the different energy of γ-rays using the Compton scattering technique. The results show that, the experimental values of mass attenuation coefficient are in good agreement with the theoretical values. The mass attenuation coefficients increase with the decrease in gamma rays energies. This may be attributed to the higher photon interaction probability of blue topaz at lower energy. This result is a first report of mass attenuation coefficient of blue topaz at different gamma rays energies.

  5. 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...

  6. 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.

  7. 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.

  8. 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.

  9. 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).

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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...

  16. 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...

  17. 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)

  18. 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.

  19. 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.

  20. 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 ...

  1. 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...

  2. 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.

  3. 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.

  4. 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.

  5. Final report for the Department of Energy funded cooperative agreement ''Electronic Research Demonstration Project'' [University electronic research administration demonstration project

    Energy Technology Data Exchange (ETDEWEB)

    Rodman, John

    1998-07-31

    This is the final report for the Department of Energy (DOE) funded cooperative agreement ''Electronic Research Demonstration Project (DE-FC02-92ER35180)'' for the period August 1994-July 1998. The goal of the project, referred to as NewERA, was to demonstrate the use of open standards for electronic commerce to support research administration, otherwise referred to as Electronic Research Administration (ERA). The NewERA demonstration project provided a means to test interagency standards developed within the Federal Grant Electronic Commerce Committee, a group comprised of federal granting agencies. The NewERA program was initiated by DOE. NewERA was comprised of three separate, but related, ERA activities in preaward administration, postaward administration, and secure Internet commerce. The goal of New ERA was to demonstrate an open standard implementation of ERA using electronic data interchange, e-mail and Internet transaction security between grant applicants and DOE, along with t h e other participating agencies.

  6. 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.

  7. 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.

  8. 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.

  9. A Conventional Agreement

    Institute of Scientific and Technical Information of China (English)

    YAN WEI

    2010-01-01

    @@ More effective multilateral measures to secure nuclear materials are needed to make the world a safer place,said Chinese President Hu Jintao at the first global summit on nuclear on April 13. The appeal was made at the Nuclear Security Summit in Washington,D.C.,addressing the mounting threat of nuclear terrorism.The gathering,attended by leaders and representatives of 47 countries,also enjoyed the participation of international organizations like the International Atomic Energy Agency(IAEA)as well as the UN.

  10. 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.

  11. 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).

  12. Nuclear recoil corrections to the 2p$_{3/2}$ state energy of hydrogen-like and high Z lithium-like atoms in all orders in $\\alpha$Z

    CERN Document Server

    Artemiev, A N; Yerokhin, V A

    1995-01-01

    The relativistic nuclear recoil corrections to the energy of the 2p_{\\frac{3}{2}} state of hydrogen-like and the (1s)^{2}2p_{\\frac{3}{2 }} state of high Z lithium-like atoms in all orders in \\alpha Z are calculated. The calculations are carried out using the B-spline method for the Dirac equation. For low Z the results of the calculation are in good agreement with the \\alpha Z -expansion results. It is found that the total nuclear recoil contribution to the energy of the (1s)^{2}2p_{\\frac{3}{2}}- (1s)^{2}2s transition in lithium-like uranium constitutes -0.09\\,eV.

  13. 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.

  14. 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.

  15. 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.

  16. Observation of Atom-Wave Beats Using a Kerr Modulator for Atom Waves.

    Science.gov (United States)

    Décamps, B; Gillot, J; Vigué, J; Gauguet, A; Büchner, M

    2016-02-01

    A phase modulation puts the atom in a coherent superposition of quantum states with different kinetic energies. We have detected the interference of such modulated waves at the output of our atom interferometer, and we have observed beats at the difference of the modulation frequencies and its harmonics, in good agreement with theory. The phase modulations were produced by a Kerr phase modulator, i.e., by the propagation of the atom wave in a time-dependent electric field. An extension of this technique to electron interferometry should open the way to very high temporal resolution in electron microscopy.

  17. An Overview of the Cooperative Effort between the United States Department of Energy and the China Atomic Energy Authority to Enhance MPC&A Inspections for Civil Nuclear Facilities in China

    Energy Technology Data Exchange (ETDEWEB)

    Ahern, Keith [U.S. Enrichment Corporation Paducah Gaseous Diffusion Plant; Daming, Liu [China Institute of Atomic Energy (CIAE); Hanley, Tim [U.S. Department of Energy, NNSA; Livingston, Linwood [Pacific Northwest National Laboratory (PNNL); McAninch, Connie [U.S. Department of Energy, NNSA; McGinnis, Brent R [ORNL; Ning, Shen [China Institute of Atomic Energy (CIAE); Qun, Yang [China Institute of Atomic Energy (CIAE); Roback, Jason William [ORNL; Tuttle, Glenn [U.S. Nuclear Regulatory Commission; Xuemei, Gao [China Institute of Atomic Energy (CIAE); Galer, Regina [U.S. National Nuclear Security Administration; Peterson, Nancy [U.S. National Nuclear Security Administration; Jia, Jinlie [China Atomic Energy Authority (CAEA)

    2011-01-01

    The United States Department of Energy, National Nuclear Security Administration (DOE/NNSA) and the China Atomic Energy Authority (CAEA) are cooperating to enhance the domestic regulatory inspections capacity for special nuclear material protection, control and accounting (MPC&A) requirements for civil nuclear facilities in China. This cooperation is conducted under the auspices of the Agreement between the Department of Energy of the United States of America and the State Development and Planning Commission of the People s Republic of China on Cooperation Concerning Peaceful Uses of Nuclear Technology. This initial successful effort was conducted in three phases. Phase I focused on introducing CAEA personnel to DOE and U. S. Nuclear Regulatory Commission inspection methods for U. S. facilities. This phase was completed in January 2008 during meetings in Beijing. Phase II focused on developing physical protection and material control and accounting inspection exercises that enforced U. S. inspection methods identified during Phase 1. Hands on inspection activities were conducted in the United States over a two week period in July 2009. Simulated deficiencies were integrated into the inspection exercises. The U. S. and Chinese participants actively identified and discussed deficiencies noted during the two week training course. The material control and accounting inspection exercises were conducted at the Paducah Gaseous Diffusion Plant (PGDP) in Paducah, KY. The physical protection inspection exercises were conducted at the Oak Ridge National Laboratory (ORNL) in Oak Ridge, TN. Phase III leveraged information provided under Phase I and experience gained under Phase II to develop a formal inspection guide that incorporates a systematic approach to training for Chinese MPC&A field inspectors. Additional hands on exercises that are applicable to Chinese regulations were incorporated into the Phase III training material. Phase III was completed in May 2010 at the China

  18. 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.

  19. 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...

  20. 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.

  1. Energy conservation in acceleration. Long-range energy efficiency agreements with the industry in the Netherlands after the year 2000; Energiebesparing in een stroomversnelling. Meerjarenafspraken energiebesparing met de industrie na 2000

    Energy Technology Data Exchange (ETDEWEB)

    Heijnes, H.; De Beer, J.; Blok, K. [ECOFYS, Utrecht (Netherlands)

    1998-10-01

    An overview is given of possibilities to strengthen and broaden the so-called long-range energy efficiency agreements (MJA) between industrial sectors in the Netherlands and the Dutch government. Technical-economical energy saving options for the long-term concern available information and data on existing and new techniques for energy conservation, attention for different greenhouse gases, and integrated chain management. Parts of the MJAs that can be improved concern (1) the implementation of more ambitious targets (best practice, ALARA) and differentiated targets; (2) licenses instead of MJAs in specific sectors, and the relation between the licensing policy and the environmental policy in general; (3) improvement of aspects of realization, e.g. monitoring, publicity, duration; (4) the integration of new items, e.g. integrated chain management and attention for more different greenhouse gases; and (5) the role of energy utilities. In chapter 2 the potential for industrial emission reduction are discussed for CO2 en non-CO2 greenhouse gases. In chapter 3 attention is paid to the present problems of the MJAs with respect to the level of ambition, degree of cover, monitoring and reporting, and publicity. Also the role of the energy utilities to improve industrial energy conservation is outlined. In chapter 4 an example of an MJA, in which integrated chain management plays an important role, has been elaborated. The example concerns the graphic industry and the paper industry. In chapter 5 some other sectors in which integrated chain management could play a role are discussed. 40 refs.

  2. 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

  3. 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

  4. Elastic collisions between Si and D atoms at low temperatures and accurate analytic potential energy function and molecular constants of the SiD(X2∏) radical

    Institute of Scientific and Technical Information of China (English)

    Shi De-Heng; Zhang Jin-Ping; Sun Jin-Feng; Zhu Zun-Lue

    2009-01-01

    Interaction potential of the SiD(X2∏) radical is constructed by using the CCSD(T) theory in combination with the largest correlation-consistent quintuple basis set augmented with the diffuse functions in the valence range. Using the interaction potential, the spectroscopic parameters are accurately determined. The present D0, De, Re, ωe, αe and Be values are of 3.0956 eV, 3.1863 eV, 0.15223 nm, 1472.894 cm-1, 0.07799 cm-1 and 3.8717 cm-1, respectively,which are in excellent agreement with the measurements. A total of 26 vibrational states is predicted when J = 0 by solving the radial Schr(o)dinger equation of nuclear motion. The complete vibrational levels, classical turning points,initial rotation and centrifugal distortion constants when J = 0 are reported for the first time, which are in good accord with the available experiments. The total and various partial-wave cross sections are calculated for the elastic collisions between Si and D atoms in their ground states at 1.0×10-11-1.0×10-3 a.u. when the two atoms approach each other along the SiD(X2∏) potential energy curve. Four shape resonances are found in the total elastic cross sections, and their resonant energies are of 1.73×10-5, 4.0×10-5, 6.45×10-5 and 5.5×10-4 a.u., respectively. Each shape resonance in the total elastic cross sections is carefully investigated. The results show that the shape of the total elastic cross sections is mainly dominated by the s partial wave at very low temperatures. Because of the weakness of the shape resonances coming from the higher partial waves, most of them are passed into oblivion by the strong s partial-wave elastic cross sections.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. Agreement Workflow Tool (AWT)

    Data.gov (United States)

    Social Security Administration — The Agreement Workflow Tool (AWT) is a role-based Intranet application used for processing SSA's Reimbursable Agreements according to SSA's standards. AWT provides...

  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. Strong interaction physics from hadronic atoms

    Science.gov (United States)

    Batty, C. J.; Friedman, E.; Gal, A.

    1997-08-01

    Hadronic atoms provide a unique laboratory for studying strong interactions and nuclear medium effects at zero kinetic energy. Previous results from analyses of strong-interaction data consisting of level shifts, widths and yields in π-, K -, p¯ and ∑ - atoms are reviewed. Recent results from fits to comprehensive sets of data in terms of density-dependent optical potentials that respect the low-density limit, where the interaction tends to the free hadron nucleon value, are discussed. The importance of using realistic nuclear density distributions is highlighted. The introduction of density dependence in most cases significantly improves the fit to the data and leads to some novel results. For K - atoms, a substantial attraction of order 200 MeV in nuclear matter is suggested, with interesting repercussions for K¯ condensation and the evolution of strangeness in high-density stars. For p¯ atoms it is found that a reasonable p-wave strength can be accommodated in the fitted optical potential, in agreement with the energy dependence observed for some low-energy p¯N reactions. For ∑ - atoms, the fitted potential becomes repulsive inside the nucleus, implying that Σ hyperons generally do not bind in nuclei in agreement with recent measurements. This repulsion significantly affects calculated masses of neutron stars.

  14. Positron-alkali atom scattering

    Science.gov (United States)

    Mceachran, R. P.; Horbatsch, M.; Stauffer, A. D.; Ward, S. J.

    1990-01-01

    Positron-alkali atom scattering was recently investigated both theoretically and experimentally in the energy range from a few eV up to 100 eV. On the theoretical side calculations of the integrated elastic and excitation cross sections as well as total cross sections for Li, Na and K were based upon either the close-coupling method or the modified Glauber approximation. These theoretical results are in good agreement with experimental measurements of the total cross section for both Na and K. Resonance structures were also found in the L = 0, 1 and 2 partial waves for positron scattering from the alkalis. The structure of these resonances appears to be quite complex and, as expected, they occur in conjunction with the atomic excitation thresholds. Currently both theoretical and experimental work is in progress on positron-Rb scattering in the same energy range.

  15. 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...

  16. 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.

  17. 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.

  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. 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.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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)

  12. 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.

  13. 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)

  14. Experimental ionization of atomic hydrogen with few-cycle pulses

    CERN Document Server

    Pullen, M G; Laban, D E; Palmer, A J; Hanne, G F; Grum-Grzhimailo, A N; Abeln, B; Bartschat, K; Weflen, D; Ivanov, I; Kheifets, A; Quiney, H M; Litvinyuk, I V; Sang, R T; Kielpinski, D

    2011-01-01

    We present the first experimental data on strong-field ionization of atomic hydrogen by few-cycle laser pulses. We obtain quantitative agreement at the 10% level between the data and an {\\it ab initio} simulation over a wide range of laser intensities and electron energies.

  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. Starting points for the reference path in the evaluation of the SER Energy Agreement for Sustainable Growth; Uitgangspunten voor het referentiepad bij de evaluatie van het SER-energieakkoord

    Energy Technology Data Exchange (ETDEWEB)

    Koelemeijer, R.; Verdonk, M. [Planbureau voor de Leefomgeving PBL, Den Haag (Netherlands); Van Dril, T.; Seebregts, A. [ECN Beleidsstudies, Amsterdam (Netherlands)

    2013-09-01

    The effect of the measures from the SER (Social and Economic Council of the Netherlands) energy agreement on energy, renewable energy and greenhouse gas emissions is assessed by ECN and PBL in relation to the so-called SER-reference path. This paper provides an overview of the assumptions for this reference path with regard to policy, macro-economic development, demography and energy prices and the CO2 price and gives the effect on the price for electricity [Dutch] Het effect van de maatregelen uit het SER-energieakkoord op energiegebruik, hernieuwbare energie en broeikasgasemissies is door ECN en PBL geraamd ten opzichte van het z.g. SER-referentiepad. Deze notitie geeft een overzicht van de gehanteerde uitgangspunten voor dit referentiepad ten aanzien van beleid, macro-economische groei, demografie en energie- en de CO2-prijs en geeft het effect daarvan op de elektriciteitsprijs.

  17. 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.

  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. Atom-interferometric measurement of Stark level splittings

    CERN Document Server

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

    2015-01-01

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

  7. Emission Trading System in the SER Energy Agreement for Sustainable Growth. Macro-economic calculation by means of WorldScan; ETS in het SER Energieakkoord. Macro-economische doorrekening met WorldScan

    Energy Technology Data Exchange (ETDEWEB)

    Brink, C. [Planbureau voor de Leefomgeving PBL, Den Haag (Netherlands)

    2013-09-01

    The Dutch National Energy Agreement for Sustainable Growth aims at strengthening the European system for emissions trading by a more strict emission ceiling. Also, the agreement aims at guarantee the competitiveness of global energy intensive businesses by adjusting the allocation method for emission rights. In the calculations for the energy agreement this is reflected in the adjustment of the ETS pricing path. In this memo the calculations with the equilibrium model WordlScan are described and presented [Dutch] Het Nationaal Energieakkoord voor Duurzame Groei zet in op een versterking van het Europees systeem voor emissiehandel (ETS) door aanscherpen van het emissieplafond. Verder wil het akkoord de concurrentiepositie van het mondiaal opererende energie-intensieve bedrijfsleven borgen door aanpassing van de allocatiemethode voor emissierechten. In de doorrekening van het Energieakkoord is deze inzet tot uitdrukking gebracht in een aanpassing van het ETS-prijspad. Deze notitie beschrijft de berekeningen met het algemeen evenwichtsmodel WorldScan waar deze aanpassing van het ETS-prijspad op is gebaseerd.

  8. 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.

  9. 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).

  10. 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.

  11. “Hard probes” of strongly-interacting atomic gases

    Energy Technology Data Exchange (ETDEWEB)

    Nishida, Yusuke [Los Alamos National Laboratory

    2012-06-18

    We investigate properties of an energetic atom propagating through strongly interacting atomic gases. The operator product expansion is used to systematically compute a quasiparticle energy and its scattering rate both in a spin-1/2 Fermi gas and in a spinless Bose gas. Reasonable agreement with recent quantum Monte Carlo simulations even at a relatively small momentum k/kF > 1.5 indicates that our large-momentum expansions are valid in a wide range of momentum. We also study a differential scattering rate when a probe atom is shot into atomic gases. Because the number density and current density of the target atomic gas contribute to the forward scattering only, its contact density (measure of short-range pair correlation) gives the leading contribution to the backward scattering. Therefore, such an experiment can be used to measure the contact density and thus provides a new local probe of strongly interacting atomic gases.

  12. Ionization in collisions between metastable hydrogen atoms

    Science.gov (United States)

    Bohr, Alex; Blickle, Andrew; Paolini, Stephen; Ohlinger, Luke; Forrey, Robert

    2012-06-01

    Associative and Penning ionization cross sections are calculated for collisions between metastable hydrogen 2s atoms at thermal energies. Cross sections for deuterium 2s collisions are also reported. The associative ionization cross sections behave as E-1 for collision energy E, in agreement with an existing experiment. The Penning ionization cross sections dominate for all energies and are found to follow the E-2/3 behavior that was predicted in previous work for the total ionization cross section. The magnitudes of our theoretical associative ionization cross sections for H(2s)+H(2s) collisions are between two and four times larger than the experimental data.

  13. Agreement in Bloomfield.

    Science.gov (United States)

    Langendoen, D. Terence; McDaniel, Dana S.

    A discussion of Leonard Bloomfield's theory on grammatical agreement examines agreement within Bloomfield's overall scheme of syntactic analysis and relates it to current work in syntax. Bloomfield's three types of agreement (concord, government, and cross-reference) are outlined and compared to the contemporary distinction between pro-drop and…

  14. 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.)

  15. 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.

  16. 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.

  17. 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…

  18. 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

  19. Project of law, adopted by the Senate, giving permission to the approval of the agreement between the French government and the international organization for thermonuclear fusion energy ITER, relative to the head office of ITER organization and to the privileges and immunities of ITER organization in the French territory; Projet de loi adopte par le Senat, autorisant l'approbation de l'accord entre le Gouvernement de la Republique francaise et l'Organisation internationale ITER pour l'energie de fusion relatif au siege de l'Organisation ITER et aux privileges et immunites de l'Organisation ITER sur le territoire francais

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2008-01-15

    The will of building up an international thermonuclear experimental reactor (ITER) gathers since several years the European community of atomic energy (Euratom), Japan, the USA, and Russia, next followed by China, South Korea and, since 2005, by India. The agreement signed in Paris between these seven parties on November 21, 2006 entrusted the international organization ITER with the realization of this project. The implications of the ITER project are enormous both in their scientific and in their economical aspects. France has a particular position in this project since the head office of ITER organisation is sited at Saint-Paul-lez-Durance and the tokamak will be built at Cadarache. Therefore, an agreement has been signed between ITER organization and the French government. The approval of this agreement is the object of this project of law made of a single article. The agreement between the French government and the international organization ITER is attached to the document. It defines the juridical status, the privileges and immunities of the organization itself and of its personnel inside the French territory. An appendix to the agreement precises the cooperation modalities between the French authorities and ITER organization. (J.S.)

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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...

  8. 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.

  9. 10 CFR 603.1340 - Technology investment agreement.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Technology investment agreement. 603.1340 Section 603.1340 Energy DEPARTMENT OF ENERGY (CONTINUED) ASSISTANCE REGULATIONS TECHNOLOGY INVESTMENT AGREEMENTS Definitions of Terms Used in this Part § 603.1340 Technology investment agreement. A TIA is a special type...

  10. 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.

  11. 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.

  12. Shareholders' agreements in Denmark

    DEFF Research Database (Denmark)

    Werlauff, Erik

    2010-01-01

    analyses the consequences of this. Rights and duties in the owners’ agreements must now be reiterated to the greatest possible extent in the company’s articles of association so that the precepts become binding on the company and its management. Whether the parties to the owners’ agreement can be required...

  13. Agreement on African Venture

    Institute of Scientific and Technical Information of China (English)

    LAN XINZHEN

    2010-01-01

    @@ China's biggest aluminum producer Aluminum Corp.China Ltd.(Chalco) signed a binding agreement with the world's second largest mining company,Rio Tinto,on July 29 in Beijing.The agreement will establish a joint venture to develop and operate the Simandou iron ore project in Guinea,Africa.

  14. The Helsinki Agreement

    Science.gov (United States)

    Babel: Journal of the Australian Federation of Modern Language Teachers' Associations, 1977

    1977-01-01

    A reprint of sections of the Helsinki agreement dealing with foreign languages and civilization, and cooperation and exchanges in the field of education. The agreement supports wider knowledge of foreign languages and promotes exchanges, cooperation, lexicography, and specialized programs in adult education. (AMH)

  15. 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.

  16. 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.

  17. 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.

  18. An Analytical Model for Adsorption and Diffusion of Atoms/Ions on Graphene Surface

    Directory of Open Access Journals (Sweden)

    Yan-Zi Yu

    2015-01-01

    Full Text Available Theoretical investigations are made on adsorption and diffusion of atoms/ions on graphene surface based on an analytical continuous model. An atom/ion interacts with every carbon atom of graphene through a pairwise potential which can be approximated by the Lennard-Jones (L-J potential. Using the Fourier expansion of the interaction potential, the total interaction energy between the adsorption atom/ion and a monolayer graphene is derived. The energy-distance relationships in the normal and lateral directions for varied atoms/ions, including gold atom (Au, platinum atom (Pt, manganese ion (Mn2+, sodium ion (Na1+, and lithium-ion (Li1+, on monolayer graphene surface are analyzed. The equilibrium position and binding energy of the atoms/ions at three particular adsorption sites (hollow, bridge, and top are calculated, and the adsorption stability is discussed. The results show that H-site is the most stable adsorption site, which is in agreement with the results of other literatures. What is more, the periodic interaction energy and interaction forces of lithium-ion diffusing along specific paths on graphene surface are also obtained and analyzed. The minimum energy barrier for diffusion is calculated. The possible applications of present study include drug delivery system (DDS, atomic scale friction, rechargeable lithium-ion graphene battery, and energy storage in carbon materials.

  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. Mexico/USA agreement for the performance of an energy audit: a study case; Acuerdo Mexico/EUA para realizar auditoria de energia: un caso de estudio

    Energy Technology Data Exchange (ETDEWEB)

    Romero Paredes, Hernando; Ambriz, Juan Jose [Universidad Autonoma Metropolitana-Iztapalapa, Mexico, D. F. (Mexico); Ortiz, Johny; Sheffield, John [University of Missouri-Rolla, Missouri (United States)

    1998-12-31

    This paper presents the results of two energy industrial audits carried out in Mexico City by a team of professors and students of the Missouri-Rolla University (UMR) and the Autonomous Metropolitan-Ixtapalapa University (UAM). This international interchange examines the potential of technological transfer of programs of the Industrial Advising and Analysis and Energy Diagnosis Centers which are sponsored by the Office of Industrial Technologies of the U.S. Department of Energy (Program IAC-DOE). The paper describes the applied technology by the international team to identify the opportunities of saving energy through visits to the manufacturing enterprises installations. These are classified in accordance with the potential saving areas (for instance: lighting, air compressors, motors, etc.) and include the energy saving, its associated costs, the implementation costs and the simple return period. The paper presents a study case related to two Mexican plants. A revision is made of one year statistics that enlists the energy saving opportunities found by the UMR-IAC team during eight years of operation for illustration purposes. The statistics are based in about 25 audits performed in the U.S. and encompass the energy and demand saving, the associated costs, the implementation costs an the simple return period. Also, the performance of joint audits is described as a valid form of technological transfer in two ways, of interest to the two educational institutions. The article concludes with the advantages of the joint approach to the energy audits and the potential for the development of a more ambitious program of technological transfer. The educational value of the above mentioned technological experience for the faculty and for the students involved in the academic interchange is also considered as an important opportunity to keep on performing these activities. [Espanol] Este articulo presenta los resultados de dos auditorias energeticas industriales realizadas