Sample records for atomic energy program

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Seaborg, Glenn T.

    1963-01-31

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

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McCone, John A.

    1961-01-31

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

  3. U.S. Radioecology Research Programs of the Atomic Energy Commission in the 1950s

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    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 Programsmore » 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 Biological and Environmental Research (DOE/BER). Contributors to the

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

    NASA Technical Reports Server (NTRS)

    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.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dean, Gordon

    1953-07-31

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

  6. A History of the Atomic Energy Commission

    DOE R&D Accomplishments Database

    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.

  7. Nuclear energy in the service of biomedicine: the U.S. Atomic Energy Commission's radioisotope program, 1946-1950.

    PubMed

    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.

  8. Atomic Energy Levels in Crystals

    DTIC Science & Technology

    1961-02-24

    testing, evaluation, calibration services, and various consultation and information servics. Research projecta are also performed for other government...agencies when the woric relates to and aupplementi the basic program of the Bureau or when the Bureau’s unique competence is requed aThe scope of...Johns Hopkins University, with the support of the U.S. Atomic Energy Commission, initiated a program of experimental studies of the sharp line

  9. Spreadsheet-Based Program for Simulating Atomic Emission Spectra

    ERIC Educational Resources Information Center

    Flannigan, David J.

    2014-01-01

    A simple Excel spreadsheet-based program for simulating atomic emission spectra from the properties of neutral atoms (e.g., energies and statistical weights of the electronic states, electronic partition functions, transition probabilities, etc.) is described. The contents of the spreadsheet (i.e., input parameters, formulas for calculating…

  10. The NASA atomic oxygen effects test program

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Brady, Joyce A.

    1988-01-01

    The NASA Atomic Oxygen Effects Test Program was established to compare the low earth orbital simulation characteristics of existing atomic oxygen test facilities and utilize the collective data from a multitude of simulation facilities to promote understanding of mechanisms and erosion yield dependence upon energy, flux, metastables, charge, and environmental species. Four materials chosen for this evaluation include Kapton HN polyimide, FEP Teflon, polyethylene, and graphite single crystals. The conditions and results of atomic oxygen exposure of these materials is reported by the participating organizations and then assembled to identify degrees of dependency of erosion yields that may not be observable from any single atomic oxygen low earth orbital simulation facility. To date, the program includes 30 test facilities. Characteristics of the participating test facilities and results to date are reported.

  11. IDEN2-A program for visual identification of spectral lines and energy levels in optical spectra of atoms and simple molecules

    NASA Astrophysics Data System (ADS)

    Azarov, V. I.; Kramida, A.; Vokhmentsev, M. Ya.

    2018-04-01

    The article describes a Java program that can be used in a user-friendly way to visually identify spectral lines observed in complex spectra with theoretically predicted transitions between atomic or molecular energy levels. The program arranges various information about spectral lines and energy levels in such a way that line identification and determination of positions of experimentally observed energy levels become much easier tasks that can be solved fast and efficiently.

  12. 32 CFR 2400.4 - Atomic Energy Material.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 32 National Defense 6 2013-07-01 2013-07-01 false Atomic Energy Material. 2400.4 Section 2400.4 National Defense Other Regulations Relating to National Defense OFFICE OF SCIENCE AND TECHNOLOGY POLICY REGULATIONS TO IMPLEMENT E.O. 12356; OFFICE OF SCIENCE AND TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM...

  13. 32 CFR 2400.4 - Atomic Energy Material.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 32 National Defense 6 2010-07-01 2010-07-01 false Atomic Energy Material. 2400.4 Section 2400.4 National Defense Other Regulations Relating to National Defense OFFICE OF SCIENCE AND TECHNOLOGY POLICY REGULATIONS TO IMPLEMENT E.O. 12356; OFFICE OF SCIENCE AND TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM...

  14. 32 CFR 2400.4 - Atomic Energy Material.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 32 National Defense 6 2014-07-01 2014-07-01 false Atomic Energy Material. 2400.4 Section 2400.4 National Defense Other Regulations Relating to National Defense OFFICE OF SCIENCE AND TECHNOLOGY POLICY REGULATIONS TO IMPLEMENT E.O. 12356; OFFICE OF SCIENCE AND TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM...

  15. 32 CFR 2400.4 - Atomic Energy Material.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 32 National Defense 6 2011-07-01 2011-07-01 false Atomic Energy Material. 2400.4 Section 2400.4 National Defense Other Regulations Relating to National Defense OFFICE OF SCIENCE AND TECHNOLOGY POLICY REGULATIONS TO IMPLEMENT E.O. 12356; OFFICE OF SCIENCE AND TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM...

  16. 32 CFR 2400.4 - Atomic Energy Material.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 32 National Defense 6 2012-07-01 2012-07-01 false Atomic Energy Material. 2400.4 Section 2400.4 National Defense Other Regulations Relating to National Defense OFFICE OF SCIENCE AND TECHNOLOGY POLICY REGULATIONS TO IMPLEMENT E.O. 12356; OFFICE OF SCIENCE AND TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM...

  17. Atomic Energy Basics, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

    This booklet is part of the "Understanding the Atom Series," though it is a later edition and not included in the original set of 51 booklets. A basic survey of the principles of nuclear energy and most important applications are provided. These major topics are examined: matter has molecules and atoms, the atom has electrons, the nucleus,…

  18. Energy Scaling of Cold Atom-Atom-Ion Three-Body Recombination

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

    We study three-body recombination of Ba++Rb +Rb in the mK regime where a single 138Ba+ ion in a Paul trap is immersed into a cloud of ultracold 87Rb atoms. We measure the energy dependence of the three-body rate coefficient k3 and compare the results to the theoretical prediction, k3∝Ecol-3 /4, where Ecol is the collision energy. We find agreement if we assume that the nonthermal ion energy distribution is determined by at least two different micromotion 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 in an ultracold atom cloud and yield important prospects for atom-ion experiments targeting the s -wave regime.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    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.

  20. The RPA Atomization Energy Puzzle.

    PubMed

    Ruzsinszky, Adrienn; Perdew, John P; Csonka, Gábor I

    2010-01-12

    There is current interest in the random phase approximation (RPA), a "fifth-rung" density functional for the exchange-correlation energy. RPA has full exact exchange and constructs the correlation with the help of the unoccupied Kohn-Sham orbitals. In many cases (uniform electron gas, jellium surface, and free atom), the correction to RPA is a short-ranged effect that is captured by a local spin density approximation (LSDA) or a generalized gradient approximation (GGA). Nonempirical density functionals for the correction to RPA were constructed earlier at the LSDA and GGA levels (RPA+), but they are constructed here at the fully nonlocal level (RPA++), using the van der Waals density functional (vdW-DF) of Langreth, Lundqvist, and collaborators. While they make important and helpful corrections to RPA total and ionization energies of free atoms, they correct the RPA atomization energies of molecules by only about 1 kcal/mol. Thus, it is puzzling that RPA atomization energies are, on average, about 10 kcal/mol lower than those of accurate values from experiment. We find here that a hybrid of 50% Perdew-Burke-Ernzerhof GGA with 50% RPA+ yields atomization energies much more accurate than either one does alone. This suggests a solution to the puzzle: While the proper correction to RPA is short-ranged in some systems, its contribution to the correlation hole can spread out in a molecule with multiple atomic centers, canceling part of the spread of the exact exchange hole (more so than in RPA or RPA+), making the true exchange-correlation hole more localized than in RPA or RPA+. This effect is not captured even by the vdW-DF nonlocality, but it requires the different kind of full nonlocality present in a hybrid functional.

  1. General Atomics Sciences Education Foundation Outreach Programs

    NASA Astrophysics Data System (ADS)

    Winter, Patricia S.

    1997-11-01

    Scientific literacy for all students is a national goal. The General Atomics (GA) Foundation Outreach Program is committed to playing a major role in enhancing pre-college education in science, engineering and new technologies. GA has received wide recognition for its Sciences Education Program, a volunteer effort of GA employees and San Diego science teachers. GA teacher/scientist teams have developed inquiry-based education modules and associated workshops based on areas of core competency at GA: Fusion -- Energy of the Stars; Explorations in Materials Science; Portrait of an Atom; DNA Technology. [http://www.sci-ed-ga.org]. Workshops [teachers receive printed materials and laboratory kits for ``hands-on" modules] have been presented for 700+ teachers from 200+ area schools. Additional workshops include: University of Denver for Denver Public Schools; National Educators Workshop; Standard Experiments in Engineering Materials; Update '96 in Los Alamos; Newspapers in Education Workshop (LA Times); American Chemical Society Regional/National meetings, and California Science Teachers Association Conference. Other outreach includes High School Science Day, school partnerships, teacher and student mentoring and the San Diego Science Alliance [http://www.sdsa.org].

  2. Annual Report to Congress of the Atomic Energy Commission for 1969

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Seaborg, Glenn T.

    1970-01-31

    The document represents the 1969 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report opens with ''An Introduction to the Atomic Energy Programs during 1969'' followed by 17 Chapters, 8 appendices and an index. Chapters are as follows: (1) Source, Special, and Byproduct Nuclear Materials; (2) Nuclear Materials Safeguards; (3) The Nuclear Defense Effort; (4) Naval Propulsion Reactors; (5) Reactor Development and Technology; (6) Licensing and Regulating the Atom; (7) Operational and Public Safety; (8) Space Nuclear Propulsion; (9) Specialized Nuclear Power; (10) Isotopic Radiation Applications; (11) Peaceful Nuclear Explosives; (12) International Affairs and Cooperation; (13) Informationalmore » and Related Activities; (14) Nuclear Education and Training; (15) Biomedical and Physical Research; (16) Industrial Participation Aspects; and, (17) Administrative and Management Matters.« less

  3. Annual Report to Congress of the Atomic Energy Commission for 1968

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Seaborg, Glenn T.

    1969-01-31

    The document represents the 1968 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report opens with ''An Introduction to the Atomic Energy Programs during 1968'' followed by 17 Chapters, 8 appendices and an index. Chapters are as follows: (1) Source, Special, and Nuclear Byproduct Materials; (2) Nuclear Materials Safeguards; (3) The Nuclear Defense Effort; (4) Naval Propulsion Reactors; (5) Reactor Development and Technology; (6) Licensing and Regulating the Atom; (7) Operational and Public Safety; (8) Nuclear Rocket Propulsion; (9) Specialized Nuclear Power; (10) Isotopic Radiation Applications; (11) Peaceful Nuclear Explosives; (12) International Affairs and Cooperation; (13) Informationalmore » and Related Activities; (14) Nuclear Education and Training; (15) Biomedical and Physical Research; (16) Industrial Participation Aspects; and, (17) Administrative and Management Matters.« less

  4. Annual Report to Congress of the Atomic Energy Commission for 1965

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Seaborg, Glenn T.

    1966-01-31

    The document represents the 1965 Annual Report of the Atomic Energy Commission (AEC) to Congress. The report opens with a Foreword - a letter from President Lyndon B. Johnson. The main portion is divided into 3 major sections for 1965, plus 10 appendices and the index. Section names and chapters are as follows. Part One reports on Developmental and Promotional Activities with the following chapters: (1) The Atomic Energy Program - 1965; (2) The Industrial Base ; (3) Industrial Relations; (4) Operational Safety; (5) Source and Special Nuclear Materials Production; (6) The Nuclear Defense Effort; (7) Civilian Nuclear Power; (8)more » Nuclear Space Applications; (9) Auxiliary Electrical Power for Land and Sea; (10) Military Reactors; (11) Advanced Reactor Technology and Nuclear Safety Research; (12) The Plowshare Program; (13) Isotopes and Radiation Development; (14) Facilities and Projects for Basic Research; (15) International Cooperation; and, (16) Nuclear Education and Information. Part Two reports on Regulatory Activities with the following chapters: (1) Licensing and Regulating the Atom; (2) Reactors and other Nuclear Facilities; and, (3) Control of Radioactive Materials. Part Three reports on Adjudicatory Activities.« less

  5. Partitioning dynamic electron correlation energy: Viewing Møller-Plesset correlation energies through Interacting Quantum Atom (IQA) energy partitioning

    NASA Astrophysics Data System (ADS)

    McDonagh, James L.; Vincent, Mark A.; Popelier, Paul L. A.

    2016-10-01

    Here MP2, MP3 and MP4(SDQ) are energy-partitioned for the first time within the Interacting Quantum Atoms (IQA) context, as proof-of-concept for H2, He2 and HF. Energies are decomposed into four primary energy contributions: (i) atomic self-energies, and atomic interaction energies comprising of (ii) Coulomb, (iii) exchange and (iv) dynamic election correlation terms. We generate and partition one- and two-particle density-matrices to obtain all atomic energy components. This work suggests that, in terms of Van der Waals dispersion, the correlation energies represent an atomic stabilisation, by proximity to other atoms, as opposed to direct interactions with other nearby atoms.

  6. ENergy and Power Evaluation Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    NONE

    1996-11-01

    In the late 1970s, national and international attention began to focus on energy issues. Efforts were initiated to design and test analytical tools that could be used to assist energy planners in evaluating energy systems, particularly in developing countries. In 1984, the United States Department of Energy (DOE) commissioned Argonne National Laboratory`s Decision and Information Sciences Division (DIS) to incorporate a set of analytical tools into a personal computer-based package for distribution in developing countries. The package developed by DIS staff, the ENergy and Power Evaluation Program (ENPEP), covers the range of issues that energy planners must face: economic development,more » energy demand projections, supply-and-demand balancing, energy system expansion, and environmental impact analysis. Following the original DOE-supported development effort, the International Atomic Energy Agency (IAEA), with the assistance from the US Department of State (DOS) and the US Department of Energy (DOE), provided ENPEP training, distribution, and technical support to many countries. ENPEP is now in use in over 60 countries and is an international standard for energy planning tools. More than 500 energy experts have been trained in the use of the entire ENPEP package or some of its modules during the international training courses organized by the IAEA in collaboration with Argonne`s Decision and Information Sciences (DIS) Division and the Division of Educational Programs (DEP). This report contains the ENPEP program which can be download from the internet. Described in this report is the description of ENPEP Program, news, forums, online support and contacts.« less

  7. Energy from the Atom.

    ERIC Educational Resources Information Center

    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…

  8. 78 FR 64414 - Assistance to Foreign Atomic Energy Activities

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-10-29

    ... DEPARTMENT OF ENERGY 10 CFR Part 810 RIN 1994-AA02 Assistance to Foreign Atomic Energy Activities... Assistance to Foreign Atomic Energy Activities since 1986. The NOPR reflected a need to make the regulations... concerning Assistance to Foreign Atomic Energy Activities since 1986. (76 FR 55278) The NOPR reflected a need...

  9. Twenty-third Semiannual Report of the Commission to the Congress, January 1958. Progress in peaceful uses of atomic energy July - December 1957

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Strauss, Lewis L.

    1958-01-31

    The document represents the twenty-third semiannual Atomic Energy Commission (AEC) report to Congress. The report sums up the major activities and developments in the national atomic energy program covering the period July - December 1957. A special part one of this semiannual report is titled ''Progress in the Peaceful Uses of Atomic Energy - A 3-year Summary.

  10. The Atomization Energy of Mg4

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Arnold, James O. (Technical Monitor)

    1999-01-01

    The atomization energy of Mg4 is determined using the MP2 and CCSD(T) levels of theory. Basis set incompleteness, basis set extrapolation, and core-valence effects are discussed. Our best atomization energy, including the zero-point energy and scalar relativistic effects, is 24.6+/-1.6 kcal per mol. Our computed and extrapolated values are compared with previous results, where it is observed that our extrapolated MP2 value is good agreement with the MP2-R12 value. The CCSD(T) and MP2 core effects are found to have the opposite signs.

  11. Atomic Mass and Nuclear Binding Energy for I-131 (Iodine)

    NASA Astrophysics Data System (ADS)

    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 I-131 (Iodine, atomic number Z = 53, mass number A = 131).

  12. Atomic Mass and Nuclear Binding Energy for F-22 (Fluorine)

    NASA Astrophysics Data System (ADS)

    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-22 (Fluorine, atomic number Z = 9, mass number A = 22).

  13. Report on the activities of the Danish Atomic Energy Commission up to 31 March 1957

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    1958-01-15

    Activities of the Danish Atomic Energy Commission from its establishment in 1955 through March, 1957, are reported. The technical and administrative organization of the Commission are outlined. Contracts were signed for the purchase of two reactors. The site for a reactor research establishment was acquired on the Risoe Peninsula near Roskilde. Land for agricultural experiments was acquired nearby. Buildings and facilities were nearing completion by 1957. Training programs for personnel were held. Areas of international cooperation in the peaceful use of atomic energy are outlined. A statement of expenditures is included. (C.H.)

  14. Spacecraft thermal energy accommodation from atomic recombination

    NASA Technical Reports Server (NTRS)

    Carleton, Karen L.; Marinelli, William J.

    1991-01-01

    Measurements of atomic recombination probabilities important in determining energy release to reusable spacecraft thermal protection surfaces during reentry are presented. An experimental apparatus constructed to examine recombination of atomic oxygen from thermal protection and reference materials at reentry temperatures is described. The materials are examined under ultrahigh vacuum conditions to develop and maintain well characterized surface conditions that are free of contamination. When compared with stagnation point heat transfer measurements performed in arc jet facilities, these measurements indicate that a significant fraction of the excess energy available from atom recombination is removed from the surface as metastable O2.

  15. Atomic Mass and Nuclear Binding Energy for U-287 (Uranium)

    NASA Astrophysics Data System (ADS)

    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 U-287 (Uranium, atomic number Z = 92, mass number A = 287).

  16. Atomic Mass and Nuclear Binding Energy for Ac-212 (Actinium)

    NASA Astrophysics Data System (ADS)

    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 Ac-212 (Actinium, atomic number Z = 89, mass number A = 212).

  17. Product energy distributions and energy partitioning in O atom reactions on surfaces

    NASA Technical Reports Server (NTRS)

    Halpern, Bret; Kori, Moris

    1987-01-01

    Surface reactions involving O atoms are likely to be highly exoergic, with different consequences if energy is channeled mostly to product molecules or surface modes. Thus the surface may become a source of excited species which can react elsewhere, or a sink for localized heat deposition which may disrupt the surface. The vibrational energy distribution of the product molecule contains strong clues about the flow of released energy. Two instructive examples of energy partitioning at surfaces are the Pt catalyzed oxidations: (1) C(ads) + O(ads) yields CO* (T is greater than 1000 K); and (2) CO(ads) + O(gas) yields CO2* (T is approx. 300 K). The infrared emission spectra of the excited product molecules were recorded and the vibrational population distributions were determined. In reaction 1, energy appeared to be statistically partitioned between the product CO and several Pt atoms. In reaction 2, partitioning was non-statistical; the CO2 asymmetric stretch distribution was inverted. In gas reactions these results would indicate a long lived and short lived activated complex. The requirement that Pt be heated in O atoms to promote reaction of atomic O and CO at room temperature is specifically addressed. Finally, the fraction of released energy that is deposited in the catalyst is estimated.

  18. Ground Levels and Ionization Energies for the Neutral Atoms

    National Institute of Standards and Technology Data Gateway

    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.

  19. The reaction efficiency of thermal energy oxygen atoms with polymeric materials

    NASA Technical Reports Server (NTRS)

    Koontz, S. L.; Nordine, Paul

    1990-01-01

    The reaction efficiency of several polymeric materials with thermal-energy (0.04 eV translational energy), ground-state (O3P) oxygen atoms was determined by exposing the materials to a room temperature gas containing a known concentration of atomic oxygen. The reaction efficiency measurements were conducted in two flowing afterglow systems of different configuration. Atomic oxygen concentration measurements, flow, transport and surface dose analysis is presented in this paper. The measured reaction efficiencies of Kapton, Mylar, polyethylene, D4-polyethylene and Tedlar are .001 to .0001 those determined with high-energy ground-state oxygen atoms in low earth orbit or in a high-velocity atom beam. D4-polyethylene exhibits a large kinetic isotope effect with atomic oxygen at thermal but not hyperthermal atom energies.

  20. Plowshare Program - American Atomic Bomb Tests For Industrial Applications

    ScienceCinema

    None

    2018-01-16

    The United States Atomic Energy Commission (AEC) established the Plowshare Program as a research and development activity to explore the technical and economic feasibility of using nuclear explosives for industrial applications. The reasoning was that the relatively inexpensive energy available from nuclear explosions could prove useful for a wide variety of peaceful purposes. The Plowshare Program began in 1958 and continued through 1975. Between December 1961 and May 1973, the United States conducted 27 Plowshare nuclear explosive tests comprising 35 individual detonations. Conceptually, industrial applications resulting from the use of nuclear explosives could be divided into two broad categories: 1) large-scale excavation and quarrying, where the energy from the explosion was used to break up and/or move rock; and 2) underground engineering, where the energy released from deeply buried nuclear explosives increased the permeability and porosity of the rock by massive breaking and fracturing. Possible excavation applications included: canals, harbors, highway and railroad cuts through mountains, open pit mining, construction of dams, and other quarry and construction-related projects. Underground nuclear explosion applications included: stimulation of natural gas production, preparation of leachable ore bodies for in situ leaching, creation of underground zones of fractured oil shale for in situ retorting, and formation of underground natural gas and petroleum storage reservoirs.

  1. QED effects on individual atomic orbital energies

    NASA Astrophysics Data System (ADS)

    Kozioł, Karol; Aucar, Gustavo A.

    2018-04-01

    Several issues, concerning QED corrections, that are important in precise atomic calculations are presented. The leading QED corrections, self-energy and vacuum polarization, to the orbital energy for selected atoms with 30 ≤ Z ≤ 118 have been calculated. The sum of QED and Breit contributions to the orbital energy is analyzed. It has been found that for ns subshells the Breit and QED contributions are of comparative size, but for np and nd subshells the Breit contribution takes a major part of the QED+Breit sum. It has also, been found that the Breit to leading QED contributions ratio for ns subshells is almost independent of Z. The Z-dependence of QED and Breit+QED contributions per subshell is shown. The fitting coefficients may be used to estimate QED effects on inner molecular orbitals. We present results of our calculations for QED contributions to orbital energy of valence ns-subshell for group 1 and 11 atoms and discuss about the reliability of these numbers by comparing them with experimental first ionization potential data.

  2. Books on Atomic Energy for Adults and Children, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

    This booklet in the "Understanding the Atom" series includes annotated bibliographies for children (grade level indicated) and adults. Over 100 basic books on atomic energy and closely related subjects are alphabetized by title and an author index. A list of publisher addresses are included. A brief introduction to library usage is given. The…

  3. Surface conversion techniques for low energy neutral atom imagers

    NASA Technical Reports Server (NTRS)

    Quinn, J. M.

    1995-01-01

    This investigation has focused on development of key technology elements for low energy neutral atom imaging. More specifically, we have investigated the conversion of low energy neutral atoms to negatively charged ions upon reflection from specially prepared surfaces. This 'surface conversion' technique appears to offer a unique capability of detecting, and thus imaging, neutral atoms at energies of 0.01 - 1 keV with high enough efficiencies to make practical its application to low energy neutral atom imaging in space. Such imaging offers the opportunity to obtain the first instantaneous global maps of macroscopic plasma features and their temporal variation. Through previous in situ plasma measurements, we have a statistical picture of large scale morphology and local measurements of dynamic processes. However, with in situ techniques it is impossible to characterize or understand many of the global plasma transport and energization processes. A series of global plasma images would greatly advance our understanding of these processes and would provide the context for interpreting previous and future in situ measurements. Fast neutral atoms, created from ions that are neutralized in collisions with exospheric neutrals, offer the means for remotely imaging plasma populations. Energy and mass analysis of these neutrals provides critical information about the source plasma distribution. The flux of neutral atoms available for imaging depends upon a convolution of the ambient plasma distribution with the charge exchange cross section for the background neutral population. Some of the highest signals are at relatively low energies (well below 1 keV). This energy range also includes some of the most important plasma populations to be imaged, for example the base of the cleft ion fountain.

  4. Plowshare Program - American Atomic Bomb Tests For Industrial Applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    2012-04-22

    The United States Atomic Energy Commission (AEC) established the Plowshare Program as a research and development activity to explore the technical and economic feasibility of using nuclear explosives for industrial applications. The reasoning was that the relatively inexpensive energy available from nuclear explosions could prove useful for a wide variety of peaceful purposes. The Plowshare Program began in 1958 and continued through 1975. Between December 1961 and May 1973, the United States conducted 27 Plowshare nuclear explosive tests comprising 35 individual detonations. Conceptually, industrial applications resulting from the use of nuclear explosives could be divided into two broad categories: 1)more » large-scale excavation and quarrying, where the energy from the explosion was used to break up and/or move rock; and 2) underground engineering, where the energy released from deeply buried nuclear explosives increased the permeability and porosity of the rock by massive breaking and fracturing. Possible excavation applications included: canals, harbors, highway and railroad cuts through mountains, open pit mining, construction of dams, and other quarry and construction-related projects. Underground nuclear explosion applications included: stimulation of natural gas production, preparation of leachable ore bodies for in situ leaching, creation of underground zones of fractured oil shale for in situ retorting, and formation of underground natural gas and petroleum storage reservoirs.« less

  5. A Bibliography of Basic Books on Atomic Energy. Update.

    ERIC Educational Resources Information Center

    Atomic Energy Commission, Washington, DC. Office of Information Services.

    This booklet, part of the United States Atomic Energy Commission's series of information booklets, lists selected commerically published books for the general public on atomic energy and closely related subjects. It includes annotated bibliographies for children (grade level indicated) and adults. The books are arranged by subject, alphabetized by…

  6. Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation.

    PubMed

    Irwin, Benedict W J; Huggins, David J

    2018-06-12

    We present a general method called atom-wise free energy perturbation (AFEP), which extends a conventional molecular dynamics free energy perturbation (FEP) simulation to give the contribution to a free energy change from each atom. AFEP is derived from an expansion of the Zwanzig equation used in the exponential averaging method by defining that the system total energy can be partitioned into contributions from each atom. A partitioning method is assumed and used to group terms in the expansion to correspond to individual atoms. AFEP is applied to six example free energy changes to demonstrate the method. Firstly, the hydration free energies of methane, methanol, methylamine, methanethiol, and caffeine in water. AFEP highlights the atoms in the molecules that interact favorably or unfavorably with water. Finally AFEP is applied to the binding free energy of human immunodeficiency virus type 1 protease to lopinavir, and AFEP reveals the contribution of each atom to the binding free energy, indicating candidate areas of the molecule to improve to produce a more strongly binding inhibitor. FEP gives a single value for the free energy change and is already a very useful method. AFEP gives a free energy change for each "part" of the system being simulated, where part can mean individual atoms, chemical groups, amino acids, or larger partitions depending on what the user is trying to measure. This method should have various applications in molecular dynamics studies of physical, chemical, or biochemical phenomena, specifically in the field of computational drug discovery.

  7. Attenuation of Scattered Thermal Energy Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    Banks, Bruce a.; Seroka, Katelyn T.; McPhate, Jason B.; Miller, Sharon K.

    2011-01-01

    The attenuation of scattered thermal energy atomic oxygen is relevant to the potential damage that can occur within a spacecraft which sweeps through atomic oxygen in low Earth orbit (LEO). Although there can be significant oxidation and resulting degradation of polymers and some metals on the external surfaces of spacecraft, there are often openings on a spacecraft such as telescope apertures, vents, and microwave cavities that can allow atomic oxygen to enter and scatter internally to the spacecraft. Atomic oxygen that enters a spacecraft can thermally accommodate and scatter to ultimately react or recombine on surfaces. The atomic oxygen that does enter a spacecraft can be scavenged by use of high erosion yield polymers to reduce its reaction on critical surfaces and materials. Polyoxymethylene and polyethylene can be used as effective atomic oxygen scavenging polymers.

  8. The Harnessed Atom: Nuclear Energy & Electricity.

    ERIC Educational Resources Information Center

    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)…

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

    PubMed

    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. Copyright © 2013 Wiley Periodicals, Inc.

  10. Translations from the Soviet Journal of Atomic Energy

    DTIC Science & Technology

    1962-02-15

    constructing a new communist society. Atomic energy, i4n its role of a new and powerful source of highly con •entrated energy, can effect a con- siderable...problem have provided sufficient evidence of the perni- cious effects of radioactive contamination on humanbeings and require the development of special...be necessary to effect a considerable decrease in the cost of electrical power pro- duced at atomic electric power, stations. One of the most

  11. Energy dissipation unveils atomic displacement in the noncontact atomic force microscopy imaging of Si(111 )-(7 ×7 )

    NASA Astrophysics Data System (ADS)

    Arai, Toyoko; Inamura, Ryo; Kura, Daiki; Tomitori, Masahiko

    2018-03-01

    The kinetic energy of the oscillating cantilever of noncontact atomic force microscopy (nc-AFM) at room temperature was considerably dissipated over regions between a Si adatom and its neighboring rest atom for Si(111 )-(7 ×7 ) in close proximity to a Si tip on the cantilever. However, nc-AFM topographic images showed no atomic features over those regions, which were the hollow sites of the (7 ×7 ). This energy dissipation likely originated from displacement of Si adatoms with respect to the tip over the hollow sites, leading to a lateral shift of the adatoms toward the rest atom. This interaction led to hysteresis over each cantilever oscillation cycle; when the tip was retracted, the Si adatom likely returned to its original position. To confirm the atomic processes involved in the force interactions through Si dangling bonds, the Si(111 )-(7 ×7 ) surface was partly terminated with atomic hydrogen (H) and examined by nc-AFM. When the Si adatoms and/or the rest atoms were terminated with H, the hollow sites were not bright (less dissipation) in images of the energy dissipation channels by nc-AFM. The hollow sites acted as metastable sites for Si adatoms in surface diffusion and atom manipulation; thus, the dissipation energy which is saturated on the tip likely corresponds to the difference in the potential energy between the hollow site and the Si adatom site. In this study, we demonstrated the ability of dissipation channels of nc-AFM to enable visualization of the dynamics of atoms and molecules on surfaces, which cannot be revealed by nc-AFM topographic images alone.

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

    NASA Technical Reports Server (NTRS)

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

    2007-01-01

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

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

    ERIC Educational Resources Information Center

    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,…

  14. Variable energy, high flux, ground-state atomic oxygen source

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor); Orient, Otto J. (Inventor)

    1987-01-01

    A variable energy, high flux atomic oxygen source is described which is comprised of a means for producing a high density beam of molecules which will emit O(-) ions when bombarded with electrons; a means of producing a high current stream of electrons at a low energy level passing through the high density beam of molecules to produce a combined stream of electrons and O(-) ions; means for accelerating the combined stream to a desired energy level; means for producing an intense magnetic field to confine the electrons and O(-) ions; means for directing a multiple pass laser beam through the combined stream to strip off the excess electrons from a plurality of the O(-) ions to produce ground-state O atoms within the combined stream; electrostatic deflection means for deflecting the path of the O(-) ions and the electrons in the combined stream; and, means for stopping the O(-) ions and the electrons and for allowing only the ground-state O atoms to continue as the source of the atoms of interest. The method and apparatus are also adaptable for producing other ground-state atoms and/or molecules.

  15. Probing dark energy with atom interferometry

    NASA Astrophysics Data System (ADS)

    Burrage, Clare; Copeland, Edmund J.; Hinds, E. A.

    2015-03-01

    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.

  16. Presentation Stations of the General Atomics Fusion Educational Program

    NASA Astrophysics Data System (ADS)

    Lee, R. L.; Fusion Group Education Outreach Team

    1996-11-01

    The General Atomics Fusion Group's Educational Program has been actively promoting fusion science and applications throughout San Diego County's secondary school systems for over three years. The educational program allows many students to learn more about nuclear fusion science, its applications, and what it takes to become an active participant in an important field of study. It also helps educators to better understand how to teach fusion science in their classroom. Tours of the DIII--D facility are a centerpiece of the program. Over 1000 students visited the DIII--D research facility during the 1995--1996 school year for a half-day of presentations, discussions, and hands-on learning. Interactive presentations are provided at six different stations by GA scientists and engineers to small groups of students during the tours. Stations include topics on energy, plasma science, the electromagnetic spectrum, radiation and risk assessment, and data acquisition. Included also is a tour of the DIII--D machine hall and model where students can see and discuss many aspects of the tokamak. Portions of each station will be presented and discussed.

  17. Nonperturbative theory for the dispersion self-energy of atoms

    NASA Astrophysics Data System (ADS)

    Thiyam, Priyadarshini; Persson, C.; Brevik, I.; Sernelius, Bo E.; Boström, Mathias

    2014-11-01

    We go beyond the approximate series expansions used in the dispersion theory of finite-size atoms. We demonstrate that a correct, and nonperturbative, theory dramatically alters the dispersion self-energies of atoms. The nonperturbed theory gives as much as 100 % corrections compared to the traditional series-expanded theory for the smaller noble gas atoms.

  18. FWP executive summaries, Basic Energy Sciences Materials Sciences Programs (SNL/NM)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Samara, G.A.

    1997-05-01

    The BES Materials Sciences Program has the central theme of Scientifically Tailored Materials. The major objective of this program is to combine Sandia`s expertise and capabilities in the areas of solid state sciences, advanced atomic-level diagnostics and materials synthesis and processing science to produce new classes of tailored materials as well as to enhance the properties of existing materials for US energy applications and for critical defense needs. Current core research in this program includes the physics and chemistry of ceramics synthesis and processing, the use of energetic particles for the synthesis and study of materials, tailored surfaces and interfacesmore » for materials applications, chemical vapor deposition sciences, artificially-structured semiconductor materials science, advanced growth techniques for improved semiconductor structures, transport in unconventional solids, atomic-level science of interfacial adhesion, high-temperature superconductors, and the synthesis and processing of nano-size clusters for energy applications. In addition, the program includes the following three smaller efforts initiated in the past two years: (1) Wetting and Flow of Liquid Metals and Amorphous Ceramics at Solid Interfaces, (2) Field-Structured Anisotropic Composites, and (3) Composition-Modulated Semiconductor Structures for Photovoltaic and Optical Technologies. The latter is a joint effort with the National Renewable Energy Laboratory. Separate summaries are given of individual research areas.« less

  19. Comparison of Atomic Oxygen Erosion Yields of Materials at Various Energy and Impact Angles

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Waters, Deborah L.; Thorson, Stephen D.; deGroh, Kim, K.; Snyder, Aaron; Miller, Sharon

    2006-01-01

    The atomic oxygen erosion yields of various materials, measured in volume of material oxidized per incident atomic oxygen atom, are compared to the commonly accepted standard of Kapton H (DuPont) polyimide. The ratios of the erosion yield of Kapton H to the erosion yield of various materials are not consistent at different atomic oxygen energies. Although it is most convenient to use isotropic thermal energy RF plasma ashers to assess atomic oxygen durability, the results can be misleading because the relative erosion rates at thermal energies are not necessarily the same as low Earth orbital (LEO) energies of approx.4.5 eV. An experimental investigation of the relative atomic oxygen erosion yields of a wide variety of polymers and carbon was conducted using isotropic thermal energy (approx.0.1 eV) and hyperthermal energy (approx.70 eV) atomic oxygen using an RF plasma asher and an end Hall ion source. For hyperthermal energies, the atomic oxygen erosion yields relative to normal incident Kapton H were compared for sweeping atomic oxygen arrival with that of normal incidence arrival. The results of isotropic thermal energy, normal incident, and sweeping incident atomic oxygen are also compared with measured or projected LEO values.

  20. History of the United States Atomic Energy Commission. Volume II. 1947 / 1952, Atomic Shield

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hewlett, Richard G.; Duncan, Francis

    1972-01-01

    Sponsored by the Historical Advisory Committee of the Atomic Energy Commission (AEC), this 2-volume series provides an unclassified history of the AEC. Volume I is subtitled ''The New World'' and covers the AEC from 1939 through 1946. This volume, Volume II, is subtitled ''Atomic Shield'' and covers the years 1947 through 1952.

  1. A finite difference Hartree-Fock program for atoms and diatomic molecules

    NASA Astrophysics Data System (ADS)

    Kobus, Jacek

    2013-03-01

    The newest version of the two-dimensional finite difference Hartree-Fock program for atoms and diatomic molecules is presented. This is an updated and extended version of the program published in this journal in 1996. It can be used to obtain reference, Hartree-Fock limit values of total energies and multipole moments for a wide range of diatomic molecules and their ions in order to calibrate existing and develop new basis sets, calculate (hyper)polarizabilities (αzz, βzzz, γzzzz, Az,zz, Bzz,zz) of atoms, homonuclear and heteronuclear diatomic molecules and their ions via the finite field method, perform DFT-type calculations using LDA or B88 exchange functionals and LYP or VWN correlations ones or the self-consistent multiplicative constant method, perform one-particle calculations with (smooth) Coulomb and Krammers-Henneberger potentials and take account of finite nucleus models. The program is easy to install and compile (tarball+configure+make) and can be used to perform calculations within double- or quadruple-precision arithmetic. Catalogue identifier: ADEB_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADEB_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 2 No. of lines in distributed program, including test data, etc.: 171196 No. of bytes in distributed program, including test data, etc.: 9481802 Distribution format: tar.gz Programming language: Fortran 77, C. Computer: any 32- or 64-bit platform. Operating system: Unix/Linux. RAM: Case dependent, from few MB to many GB Classification: 16.1. Catalogue identifier of previous version: ADEB_v1_0 Journal reference of previous version: Comput. Phys. Comm. 98(1996)346 Does the new version supersede the previous version?: Yes Nature of problem: The program finds virtually exact solutions of the Hartree-Fock and density functional theory type equations for atoms, diatomic molecules and their ions

  2. Using atom interferometry to detect dark energy

    NASA Astrophysics Data System (ADS)

    Burrage, Clare; Copeland, Edmund J.

    2016-04-01

    We review the tantalising prospect that the first evidence for the dark energy driving the observed acceleration of the universe on giga-parsec scales may be found through metre scale laboratory-based atom interferometry experiments. To do that, we first introduce the idea that scalar fields could be responsible for dark energy and show that in order to be compatible with fifth force constraints, these fields must have a screening mechanism which hides their effects from us within the solar system. Particular emphasis is placed on one such screening mechanism known as the chameleon effect where the field's mass becomes dependent on the environment. The way the field behaves in the presence of a spherical source is determined and we then go on to show how in the presence of the kind of high vacuum associated with atom interferometry experiments, and when the test particle is an atom, it is possible to use the associated interference pattern to place constraints on the acceleration due to the fifth force of the chameleon field - this has already been used to rule out large regions of the chameleon parameter space and maybe one day will be able to detect the force due to the dark energy field in the laboratory.

  3. Theoretical atomic physics code development I: CATS: Cowan Atomic Structure Code

    DOE Office of Scientific and Technical Information (OSTI.GOV)

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

    An adaptation of R.D. Cowan's Atomic Structure program, CATS, has been developed as part of the Theoretical Atomic Physics (TAPS) code development effort at Los Alamos. CATS has been designed to be easy to run and to produce data files that can interface with other programs easily. The CATS produced data files currently include wave functions, energy levels, oscillator strengths, plane-wave-Born electron-ion collision strengths, photoionization cross sections, and a variety of other quantities. This paper describes the use of CATS. 10 refs.

  4. The U.S. Department of Energy - Office of Environmental Management Cooperation Program with the Russian Federal Atomic Energy Agency (ROSATOM)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gerdes, K.D.; Holtzscheiter, E.W.

    2006-07-01

    The U.S. Department of Energy's (DOE) Office of Environmental Management (EM) has collaborated with the Russian Federal Atomic Energy Agency - Rosatom (formerly Minatom) for 14 years on waste management challenges of mutual concern. Currently, EM is cooperating with Rosatom to explore issues related to high-level waste and investigate Russian experience and technologies that could support EM site cleanup needs. EM and Rosatom are currently implementing six collaborative projects on high-level waste issues: 1) Advanced Melter Technology Application to the U.S. DOE Defense Waste Processing Facility (DWPF) - Cold Crucible Induction Heated Melter (CCIM); 2) - Design Improvements to themore » Cold Crucible Induction Heated Melter; 3) Long-term Performance of Hanford Low-Activity Glasses in Burial Environments; 4) Low-Activity-Waste (LAW) Glass Sulfur Tolerance; 5) Improved Retention of Key Contaminants of Concern in Low Temperature Immobilized Waste Forms; and, 6) Documentation of Mixing and Retrieval Experience at Zheleznogorsk. Preliminary results and the path forward for these projects will be discussed. An overview of two new projects 7) Entombment technology performance and methodology for the Future 8) Radiation Migration Studies at Key Russian Nuclear Disposal Sites is also provided. The purpose of this paper is to provide an overview of EM's objectives for participating in cooperative activities with the Russian Federal Atomic Energy Agency, present programmatic and technical information on these activities, and outline specific technical collaborations currently underway and planned to support DOE's cleanup and closure mission. (authors)« less

  5. Vibrational Energy Transfer from Heme through Atomic Contacts in Proteins.

    PubMed

    Yamashita, Satoshi; Mizuno, Misao; Tran, Duy Phuoc; Dokainish, Hisham M; Kitao, Akio; Mizutani, Yasuhisa

    2018-05-10

    A pathway of vibrational energy flow in myoglobin was studied by time-resolved anti-Stokes ultraviolet resonance Raman spectroscopy combined with site-directed mutagenesis. Our previous study suggested that atomic contacts in proteins provide the dominant pathway for energy transfer while covalent bonds do not. In the present study, we directly examined the contributions of covalent bonds and atomic contacts to the pathway of vibrational energy flow by comparing the anti-Stokes resonance Raman spectra of two myoglobin mutants: one lacked a covalent bond between heme and the polypeptide chain and the other retained the intact bond. The two mutants showed no significant difference in temporal changes in the anti-Stokes Raman intensities of the tryptophan bands, implying that the dominant channel of vibrational energy transfer is not through the covalent bond but rather through van der Waals atomic contacts between heme and the protein moiety. The obtained insights contribute to our general understanding of energy transfer in the condensed phase.

  6. 26 CFR 1.164-8 - Payments for municipal services in atomic energy communities.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 26 Internal Revenue 2 2013-04-01 2013-04-01 false Payments for municipal services in atomic energy... Corporations § 1.164-8 Payments for municipal services in atomic energy communities. (a) General. For taxable... any community (as defined in section 21b of the Atomic Energy Community Act of 1955 (42 U.S.C. 2304...

  7. 26 CFR 1.164-8 - Payments for municipal services in atomic energy communities.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 2 2010-04-01 2010-04-01 false Payments for municipal services in atomic energy... Corporations § 1.164-8 Payments for municipal services in atomic energy communities. (a) General. For taxable... any community (as defined in section 21b of the Atomic Energy Community Act of 1955 (42 U.S.C. 2304...

  8. 26 CFR 1.164-8 - Payments for municipal services in atomic energy communities.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 26 Internal Revenue 2 2011-04-01 2011-04-01 false Payments for municipal services in atomic energy... Corporations § 1.164-8 Payments for municipal services in atomic energy communities. (a) General. For taxable... any community (as defined in section 21b of the Atomic Energy Community Act of 1955 (42 U.S.C. 2304...

  9. 26 CFR 1.164-8 - Payments for municipal services in atomic energy communities.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 26 Internal Revenue 2 2012-04-01 2012-04-01 false Payments for municipal services in atomic energy... Corporations § 1.164-8 Payments for municipal services in atomic energy communities. (a) General. For taxable... any community (as defined in section 21b of the Atomic Energy Community Act of 1955 (42 U.S.C. 2304...

  10. 26 CFR 1.164-8 - Payments for municipal services in atomic energy communities.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 26 Internal Revenue 2 2014-04-01 2014-04-01 false Payments for municipal services in atomic energy... Corporations § 1.164-8 Payments for municipal services in atomic energy communities. (a) General. For taxable... any community (as defined in section 21b of the Atomic Energy Community Act of 1955 (42 U.S.C. 2304...

  11. Atomic electron energies including relativistic effects and quantum electrodynamic corrections

    NASA Technical Reports Server (NTRS)

    Aoyagi, M.; Chen, M. H.; Crasemann, B.; Huang, K. N.; Mark, H.

    1977-01-01

    Atomic electron energies have been calculated relativistically. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all orbitals in all atoms with 2 less than or equal to Z less than or equal to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. These results will serve for detailed comparison of calculations based on other approaches. The magnitude of quantum electrodynamic corrections is exhibited quantitatively for each state.

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

    PubMed

    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.

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

    ERIC Educational Resources Information Center

    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)

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

    NASA Technical Reports Server (NTRS)

    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.

  15. A Bibliography of Basic Books on Atomic Energy, A World of the Atom Series Booklet.

    ERIC Educational Resources Information Center

    Atomic Energy Commission, Washington, DC.

    This booklet in the "World of the Atom" Series replaces the earlier Books on Atomic Energy for Adults and Children. It includes annotated bibliographies for children (grade level indicated) and adults. Over 60 books are classed as elementary and over 70 as advanced. These are alphabetized by title and also indexed by author. A list of…

  16. Interconfigurational energies in transition-metal atoms using gradient-corrected density-functional theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kutzler, F.W.; Painter, G.S.

    1991-03-15

    The rapid variation of charge and spin densities in atoms and molecules provides a severe test for local-density-functional theory and for the use of gradient corrections. In the study reported in this paper, we use the Langreth, Mehl, and Hu (LMH) functional and the generalized gradient approximation (GGA) of Perdew and Yue to calculate {ital s}-{ital d} transition energies, 4{ital s} ionization energies, and 3{ital d} ionization energies for the 3{ital d} transition-metal atoms. These calculations are compared with results from the local-density functional of Vosko, Wilk, and Nusair. By comparison with experimental energies, we find that the gradient functionalsmore » are only marginally more successful than the local-density approximation in calculating energy differences between states in transition-metal atoms. The GGA approximation is somewhat better than the LMH functional for most of the atoms studied, although there are several exceptions.« less

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

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

    1949-01-01

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

  18. Energy dependence of the trapping of uranium atoms by aluminum oxide surfaces

    NASA Technical Reports Server (NTRS)

    Librecht, K. G.

    1979-01-01

    The energy dependence of the trapping probability for sputtered U-235 atoms striking an oxidized aluminum collector surface at energies between 1 eV and 184 eV was measured. At the lowest energies, approximately 10% of the uranium atoms are not trapped, while above 10 eV essentially all of them stick. Trapping probabilities averaged over the sputtered energy distribution for uranium incident on gold and mica are also presented.

  19. 48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 3 2010-10-01 2010-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...

  20. 48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 3 2011-10-01 2011-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...

  1. 48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 48 Federal Acquisition Regulations System 3 2012-10-01 2012-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...

  2. 48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 3 2014-10-01 2014-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...

  3. 48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 3 2013-10-01 2013-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...

  4. Atomic Data for the CHIANTI Database

    NASA Technical Reports Server (NTRS)

    Bhatia, Anand K.; Landi, E.

    2012-01-01

    The CHIANTI spectral code consists of an atomic database and a suite of computer programs to calculate the optically thin spectrum of astrophysical objects and to carry out spectroscopic plasma diagnostics. The database includes atomic energy levels, wavelengths, radiative transition rates, collisional excitation, ionization and recombination rate coefficients, as well as data to calculate free-free, free-bound and two-photon continuum emission. In recent years, we have been pursuing a program to calculate atomic data for ions whose lines have been observed in astrophysical spectra but have been neglected in the literature, and to provide CHIANTI with all the data necessary to predict line intensities. There are two types of such ions: those for which calculations are available for low-energy configurations but not for high-energy configurations (i.e., C-like, N-like, O-like systems), and ions that have never or only seldom been studied. This poster will summarize the current status of this project and indicate the future activities .

  5. Atomic Spectroscopic Databases at NIST

    NASA Technical Reports Server (NTRS)

    Reader, J.; Kramida, A. E.; Ralchenko, Yu.

    2006-01-01

    We describe recent work at NIST to develop and maintain databases for spectra, transition probabilities, and energy levels of atoms that are astrophysically important. Our programs to critically compile these data as well as to develop a new database to compare plasma calculations for atoms that are not in local thermodynamic equilibrium are also summarized.

  6. Atomization Energies of SO and SO2; Basis Set Extrapolation Revisted

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Ricca, Alessandra; Arnold, James (Technical Monitor)

    1998-01-01

    The addition of tight functions to sulphur and extrapolation to the complete basis set limit are required to obtain accurate atomization energies. Six different extrapolation procedures are tried. The best atomization energies come from the series of basis sets that yield the most consistent results for all extrapolation techniques. In the variable alpha approach, alpha values larger than 4.5 or smaller than 3, appear to suggest that the extrapolation may not be reliable. It does not appear possible to determine a reliable basis set series using only the triple and quadruple zeta based sets. The scalar relativistic effects reduce the atomization of SO and SO2 by 0.34 and 0.81 kcal/mol, respectively, and clearly must be accounted for if a highly accurate atomization energy is to be computed. The magnitude of the core-valence (CV) contribution to the atomization is affected by missing diffuse valence functions. The CV contribution is much more stable if basis set superposition errors are accounted for. A similar study of SF, SF(+), and SF6 shows that the best family of basis sets varies with the nature of the S bonding.

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

    PubMed

    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.

  8. Energy-loss- and thickness-dependent contrast in atomic-scale electron energy-loss spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tan, Haiyan; Zhu, Ye; Dwyer, Christian

    2014-12-31

    Atomic-scale elemental maps of materials acquired by core-loss inelastic electron scattering often exhibit an undesirable sensitivity to the unavoidable elastic scattering, making the maps counter-intuitive to interpret. Here, we present a systematic study that scrutinizes the energy-loss and sample-thickness dependence of atomic-scale elemental maps acquired using 100 keV incident electrons in a scanning transmission electron microscope. For single-crystal silicon, the balance between elastic and inelastic scattering means that maps generated from the near-threshold Si-L signal (energy loss of 99 eV) show no discernible contrast for a thickness of 0.5λ (λ is the electron mean-free path, here approximately 110 nm). Atmore » greater thicknesses we observe a counter-intuitive “negative” contrast. Only at much higher energy losses is an intuitive “positive” contrast gradually restored. Our quantitative analysis shows that the energy-loss at which a positive contrast is restored depends linearly on the sample thickness. This behavior is in very good agreement with our double-channeling inelastic scattering calculations. We test a recently-proposed experimental method to correct the core-loss inelastic scattering and restore an intuitive “positive” chemical contrast. The method is demonstrated to be reliable over a large range of energy losses and sample thicknesses. The corrected contrast for near-threshold maps is demonstrated to be (desirably) inversely proportional to sample thickness. As a result, implications for the interpretation of atomic-scale elemental maps are discussed.« less

  9. Relative Energy Shift of a Two-Level Atom in a Cylindrical Spacetime

    NASA Astrophysics Data System (ADS)

    Zhang, Jia-Lin

    2012-11-01

    We investigate the evolution dynamics of a two-level atom system interacting with the massless scalar field in a Cylindrical spacetime. We find that both the energy shifts of ground state and excited state can be separated into two parts due to the vacuum fluctuations. One is the corresponding energy shift for a rest atom in four-dimensional Minkowski space without spatial compactification, the other is just the modification of the spatial compactified periodic length. It will reveal that the influence of the presence of one spatial compactified dimension can not be neglected in Lamb shift as the relative energy level shift of an atom.

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

    NASA Astrophysics Data System (ADS)

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

    2013-10-01

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

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

    PubMed

    Nedolya, Anatoliy V; Bondarenko, Natalya V

    2016-12-01

    Energy change of an iron face-centred cubic subnanocluster was evaluated using molecular mechanics method depending on the position of a carbon interstitial atom and substitutional atoms of nickel. Calculations of all possible positions of impurity atoms show that the energy change of the system are discrete and at certain positions of the atoms are close to continuous.In terms of energy, when all impurity atoms are on the same edge of an atomic cluster, their positions are more advantageous. The presence of nickel atoms on the edge of a cubic cluster resulted in decrease of potential barrier for a carbon atom and decrease in energy in the whole cluster. A similar drift of a carbon atom from central octahedral interstitial site to the surface in the direction <011> occurred under the influence of surface factors.Such configuration corresponds to decreasing symmetry and increasing the number of possible energy states of a subnanocluster, and it corresponds to the condition of spontaneous crystallization process in an isolated system.Taking into account accidental positions of the nickel atom in the iron cluster, such behaviour of the carbon atom can explain the mechanism of growth of a new phase and formation of new clusters in the presence of other kind of atoms because of surface influence.

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

    NASA Astrophysics Data System (ADS)

    Rodriguez, Cherilyn A.; Buan, Amelia T.

    2018-01-01

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

  13. ITFITS model for vibration--translation energy partitioning in atom-- polyatomic molecule collisions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shobatake, K.; Rice, S.A.; Lee, Y.T.

    1973-09-01

    A model for vibration-translation energy partitioning in the collinear collision of an atom and an axially symmetric polyatonaic molecule is proposed. The model is based on an extension of the ideas of Mahan and Heidrich, Wilson, and Rapp. Comparison of energy transfers computed from classical trajesctory calculations and the model proposed indicate good agreement when the mass of the free atom is small relative to the mass of the bound atom it strikes. The agreement is less satisfactory when that mass ratio becomes large. (auth)

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Harris, Frank E., E-mail: harris@qtp.ufl.edu

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

  15. 11. Architectural ELevations & Sections, 233S, U.S. Atomic Energy Commission, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    11. Architectural ELevations & Sections, 233-S, U.S. Atomic Energy Commission, Hanford Atomic Products Operations, General Electric Company, Dwg. No. H-2-30465, 1956. - Reduction-Oxidation Complex, Plutonium Concentration Facility, 200 West Area, Richland, Benton County, WA

  16. The International Atomic Energy Agency's activities in radiation medicine and cancer: promoting global health through diplomacy.

    PubMed

    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. Copyright © 2013 Canadian Association of Radiologists. Published by Elsevier Inc. All rights reserved.

  17. Neutral escape at Mars induced by the precipitation of high-energy protons and hydrogen atoms of the solar wind origin

    NASA Astrophysics Data System (ADS)

    Shematovich, Valery I.

    2017-04-01

    One of the first surprises of the NASA MAVEN mission was the observation by the SWIA instrument of a tenuous population of protons with solar wind energies travelling anti-sunward near periapsis, at altitudes of 150-250 km (Halekas et al., 2015). While the penetration of solar wind protons to low altitude is not completely unexpected given previous Mars Express results, this population maintains exactly the same velocity as the solar wind observed. From previous studies it was known that some fraction of the solar wind can interact with the extended corona of Mars. By charge exchange with the neutral particles in this corona, some fraction of the incoming solar wind protons can gain an electron and become an energetic neutral hydrogen atom. Once neutral, these particles penetrate through the Martian induced magnetosphere with ease, with free access to the collisional atmosphere/ionosphere. The origin, kinetics and transport of the suprathermal O atoms in the transition region (from thermosphere to exosphere) of the Martian upper atmosphere due to the precipitation of the high-energy protons and hydrogen atoms are discussed. Kinetic energy distribution functions of suprathermal and superthermal (ENA) oxygen atoms formed in the Martian upper atmosphere were calculated using the kinetic Monte Carlo model (Shematovich et al., 2011, Shematovich, 2013) of the high-energy proton and hydrogen atom precipitation into the atmosphere. These functions allowed us: (a) to estimate the non-thermal escape rates of neutral oxygen from the Martian upper atmosphere, and (b) to compare with available MAVEN measurements of oxygen corona. Induced by precipitation the escape of hot oxygen atoms may become dominant under conditions of extreme solar events - solar flares and coronal mass ejections, - as it was shown by recent observations of the NASA MAVEN spacecraft (Jakosky et al., 2015). This work is supported by the RFBR project and by the Basic Research Program of the Praesidium of

  18. Strategy for designing stable and powerful nitrogen-rich high-energy materials by introducing boron atoms.

    PubMed

    Wu, Wen-Jie; Chi, Wei-Jie; Li, Quan-Song; Li, Ze-Sheng

    2017-06-01

    One of the most important aims in the development of high-energy materials is to improve their stability and thus ensure that they are safe to manufacture and transport. In this work, we theoretically investigated open-chain N 4 B 2 isomers using density functional theory in order to find the best way of stabilizing nitrogen-rich molecules. The results show that the boron atoms in these isomers are aligned linearly with their neighboring atoms, which facilitates close packing in the crystals of these materials. Upon comparing the energies of nine N 4 B 2 isomers, we found that the structure with alternating N and B atoms had the lowest energy. Structures with more than one nitrogen atom between two boron atoms had higher energies. The energy of N 4 B 2 increases by about 50 kcal/mol each time it is rearranged to include an extra nitrogen atom between the two boron atoms. More importantly, our results also show that boron atoms stabilize nitrogen-rich molecules more efficiently than carbon atoms do. Also, the combustion of any isomer of N 4 B 2 releases more heat than the corresponding isomer of N 4 C 2 does under well-oxygenated conditions. Our study suggests that the three most stable N 4 B 2 isomers (BN13, BN24, and BN34) are good candidates for high-energy molecules, and it outlines a new strategy for designing stable boron-containing high-energy materials. Graphical abstract The structural characteristics, thermodynamic stabilities, and exothermic properties of nitrogen-rich N 4 B 2 isomers were investigated by means of density functional theory.

  19. Low energy collisions of spin-polarized metastable argon atoms with ground state argon atoms

    NASA Astrophysics Data System (ADS)

    Taillandier-Loize, T.; Perales, F.; Baudon, J.; Hamamda, M.; Bocvarski, V.; Ducloy, M.; Correia, F.; Fabre, N.; Dutier, G.

    2018-04-01

    The collision between a spin-polarized metastable argon atom in Ar* (3p54s, 3P2, M = +2) state slightly decelerated by the Zeeman slower-laser technique and a co-propagating thermal ground state argon atom Ar (3p6, 1S0), both merged from the same supersonic beam, but coming through adjacent slots of a rotating disk, is investigated at the center of mass energies ranging from 1 to 10 meV. The duration of the laser pulse synchronised with the disk allows the tuning of the relative velocity and thus the collision energy. At these sub-thermal energies, the ‘resonant metastability transfer’ signal is too small to be evidenced. The explored energy range requires using indiscernibility amplitudes for identical isotopes to have a correct interpretation of the experimental results. Nevertheless, excitation transfers are expected to increase significantly at much lower energies as suggested by previous theoretical predictions of potentials 2g(3P2) and 2u(3P2). Limits at ultra-low collisional energies of the order of 1 mK (0.086 μeV) or less, where gigantic elastic cross sections are expected, will also be discussed. The experimental method is versatile and could be applied using different isotopes of Argon like 36Ar combined with 40Ar, as well as other rare gases among which Krypton should be of great interest thanks to the available numerous isotopes present in a natural gas mixture.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nogami, Keisuke; Sakai, Yasuhiro; Mineta, Shota

    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.

  1. A Bibliography of Basic Books on Atomic Energy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

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

  2. 40 CFR 23.9 - Timing of Administrator's action under the Atomic Energy Act.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 1 2014-07-01 2014-07-01 false Timing of Administrator's action under the Atomic Energy Act. 23.9 Section 23.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Atomic Energy Act. Unless the Administrator otherwise explicitly provides in a particular order, the time...

  3. 40 CFR 23.9 - Timing of Administrator's action under the Atomic Energy Act.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Timing of Administrator's action under the Atomic Energy Act. 23.9 Section 23.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Atomic Energy Act. Unless the Administrator otherwise explicitly provides in a particular order, the time...

  4. 40 CFR 23.9 - Timing of Administrator's action under the Atomic Energy Act.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 1 2011-07-01 2011-07-01 false Timing of Administrator's action under the Atomic Energy Act. 23.9 Section 23.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Atomic Energy Act. Unless the Administrator otherwise explicitly provides in a particular order, the time...

  5. 40 CFR 23.9 - Timing of Administrator's action under the Atomic Energy Act.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 1 2012-07-01 2012-07-01 false Timing of Administrator's action under the Atomic Energy Act. 23.9 Section 23.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Atomic Energy Act. Unless the Administrator otherwise explicitly provides in a particular order, the time...

  6. 40 CFR 23.9 - Timing of Administrator's action under the Atomic Energy Act.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 1 2013-07-01 2013-07-01 false Timing of Administrator's action under the Atomic Energy Act. 23.9 Section 23.9 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Atomic Energy Act. Unless the Administrator otherwise explicitly provides in a particular order, the time...

  7. Atomic Radius and Charge Parameter Uncertainty in Biomolecular Solvation Energy Calculations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yang, Xiu; Lei, Huan; Gao, Peiyuan

    Atomic radii and charges are two major parameters used in implicit solvent electrostatics and energy calculations. The optimization problem for charges and radii is under-determined, leading to uncertainty in the values of these parameters and in the results of solvation energy calculations using these parameters. This paper presents a method for quantifying this uncertainty in solvation energies using surrogate models based on generalized polynomial chaos (gPC) expansions. There are relatively few atom types used to specify radii parameters in implicit solvation calculations; therefore, surrogate models for these low-dimensional spaces could be constructed using least-squares fitting. However, there are many moremore » types of atomic charges; therefore, construction of surrogate models for the charge parameter space required compressed sensing combined with an iterative rotation method to enhance problem sparsity. We present results for the uncertainty in small molecule solvation energies based on these approaches. Additionally, we explore the correlation between uncertainties due to radii and charges which motivates the need for future work in uncertainty quantification methods for high-dimensional parameter spaces.« less

  8. Heavy Atom Vibrational Modes and Low-Energy Vibrational Autodetachment in Nitromethane Anions

    NASA Astrophysics Data System (ADS)

    Thompson, Michael C.; Baraban, Joshua H.; Stanton, John F.; Weber, J. Mathias

    2015-06-01

    We use Ar predissociation and vibrational autodetachment below 2100 wn to obtain vibrational spectra of the low-energy modes of nitromethane anion. We interpret the spectra using anharmonic calculations, which reveal strong mode coupling and Fermi resonances. Not surprisingly, the number of evaporated Ar atoms varies with photon energy, and we follow the propensity of evaporating two versus one Ar atoms as photon energy increases. The photodetachment spectrum is discussed in the context of threshold effects and the importance of hot bands.

  9. Multiloop atom interferometer measurements of chameleon dark energy in microgravity

    NASA Astrophysics Data System (ADS)

    Chiow, Sheng-wey; Yu, Nan

    2018-02-01

    Chameleon field is one of the promising candidates of dark energy scalar fields. As in all viable candidate field theories, a screening mechanism is implemented to be consistent with all existing tests of general relativity. The screening effect in the chameleon theory manifests its influence limited only to the thin outer layer of a bulk object, thus producing extra forces orders of magnitude weaker than that of the gravitational force of the bulk. For pointlike particles such as atoms, the depth of screening is larger than the size of the particle, such that the screening mechanism is ineffective and the chameleon force is fully expressed on the atomic test particles. Extra force measurements using atom interferometry are thus much more sensitive than bulk mass based measurements, and indeed have placed the most stringent constraints on the parameters characterizing chameleon field. In this paper, we present a conceptual measurement approach for chameleon force detection using atom interferometry in microgravity, in which multiloop atom interferometers exploit specially designed periodic modulation of chameleon fields. We show that major systematics of the dark energy force measurements, i.e., effects of gravitational forces and their gradients, can be suppressed below all hypothetical chameleon signals in the parameter space of interest.

  10. Atomic solid state energy scale: Universality and periodic trends in oxidation state

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pelatt, Brian D.; Kokenyesi, Robert S.; Ravichandran, Ram

    2015-11-15

    The atomic solid state energy (SSE) scale originates from a plot of the electron affinity (EA) and ionization potential (IP) versus band gap (E{sub G}). SSE is estimated for a given atom by assessing an average EA (for a cation) or an average IP (for an anion) for binary inorganic compounds having that specific atom as a constituent. Physically, SSE is an experimentally-derived average frontier orbital energy referenced to the vacuum level. In its original formulation, 69 binary closed-shell inorganic semiconductors and insulators were employed as a database, providing SSE estimates for 40 elements. In this contribution, EA and IPmore » versus E{sub G} are plotted for an additional 92 compounds, thus yielding SSE estimates for a total of 64 elements from the s-, p-, d-, and f-blocks of the periodic table. Additionally, SSE is refined to account for its dependence on oxidation state. Although most cations within the SSE database are found to occur in a single oxidation state, data are available for nine d-block transition metals and one p-block main group metal in more than one oxidation state. SSE is deeper in energy for a higher cation oxidation state. Two p-block main group non-metals within the SSE database are found to exist in both positive and negative oxidation states so that they can function as a cation or anion. SSEs for most cations are positioned above −4.5 eV with respect to the vacuum level, and SSEs for all anions are positioned below. Hence, the energy −4.5 eV, equal to the hydrogen donor/acceptor ionization energy ε(+/−) or equivalently the standard hydrogen electrode energy, is considered to be an absolute energy reference for chemical bonding in the solid state. - Highlights: • Atomic solid-state energies are estimated for 64 elements from experimental data. • The relationship between atomic SSEs and oxidation state is assessed. • Cations are positioned above and absolute energy of −4.5 eV and anions below.« less

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

    NASA Astrophysics Data System (ADS)

    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. Energy loss and inelastic diffraction of fast atoms at grazing incidence

    NASA Astrophysics Data System (ADS)

    Roncin, Philippe; Debiossac, Maxime; Oueslati, Hanene; Raouafi, Fayçal

    2018-07-01

    The diffraction of fast atoms at grazing incidence on crystal surfaces (GIFAD) was first interpreted only in terms of elastic diffraction from a perfectly periodic rigid surface with atoms fixed at equilibrium positions. Recently, a new approach has been proposed, referred here as the quantum binary collision model (QBCM). The QBCM takes into account both the elastic and inelastic momentum transfers via the Lamb-Dicke probability. It suggests that the shape of the inelastic diffraction profiles are log-normal distributions with a variance proportional to the nuclear energy loss deposited on the surface. For keV Neon atoms impinging on a LiF(0 0 1) surface under an incidence angle θ , the predictions of the QBCM in its analytic version are compared with numerical trajectory simulations. Some of the assumptions such as the planar continuous form, the possibility to neglect the role of lithium atoms and the influence of temperature are investigated. A specific energy loss dependence ΔE ∝θ7 is identified in the quasi-elastic regime merging progressively to the classical onset ΔE ∝θ3 . The ratio of these two predictions highlights the role of quantum effects in the energy loss.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Akimoto, Hajime; Kukita; Ohnuki, Akira

    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.

  14. Atomic Oxygen Durability Evaluation of Protected Polymers Using Thermal Energy Plasma Systems

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Degroh, Kim K.; Stidham, Curtis R.; Gebauer, Linda; Lamoreaux, Cynthia M.

    1995-01-01

    The durability evaluation of protected polymers intended for use in low Earth orbit (LEO) has necessitated the use of large-area, high-fluence, atomic oxygen exposure systems. Two thermal energy atomic oxygen exposure systems which are frequently used for such evaluations are radio frequency (RF) plasma ashers and electron cyclotron resonance plasma sources. Plasma source testing practices such as ample preparation, effective fluence prediction, atomic oxygen flux determination, erosion measurement, operational considerations, and erosion yield measurements are presented. Issues which influence the prediction of in-space durability based on ground laboratory thermal energy plasma system testing are also addressed.

  15. Monte Carlo Computational Modeling of the Energy Dependence of Atomic Oxygen Undercutting of Protected Polymers

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Stueber, Thomas J.; Norris, Mary Jo

    1998-01-01

    A Monte Carlo computational model has been developed which simulates atomic oxygen attack of protected polymers at defect sites in the protective coatings. The parameters defining how atomic oxygen interacts with polymers and protective coatings as well as the scattering processes which occur have been optimized to replicate experimental results observed from protected polyimide Kapton on the Long Duration Exposure Facility (LDEF) mission. Computational prediction of atomic oxygen undercutting at defect sites in protective coatings for various arrival energies was investigated. The atomic oxygen undercutting energy dependence predictions enable one to predict mass loss that would occur in low Earth orbit, based on lower energy ground laboratory atomic oxygen beam systems. Results of computational model prediction of undercut cavity size as a function of energy and defect size will be presented to provide insight into expected in-space mass loss of protected polymers with protective coating defects based on lower energy ground laboratory testing.

  16. Preemption - atomic energy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ojanen, K.

    1984-07-01

    While waiting for the federal government to develop a nuclear waste disposal strategy, California enacted legislation that bans the construction of nuclear reactors until permanent disposal technology for high-level wastes is demonstrated and approved. The US Supreme Court upheld this prohibition in Pacific Gas and Electric Co. v. State Energy Resources Conservation and Development Commission. The Court found that the California law did not attempt to regulate the construction or operation of a nuclear plant nor to infringe on federal regulation of radiation safety and nuclear wastes. The moratorium is a legitimate move by the state to avoid economic uncertainties.more » Federal preemption of the law would empower utilities to determine state energy needs and programs. 131 references.« less

  17. Effect of Atomic Charges on Octanol-Water Partition Coefficient Using Alchemical Free Energy Calculation.

    PubMed

    Ogata, Koji; Hatakeyama, Makoto; Nakamura, Shinichiro

    2018-02-15

    The octanol-water partition coefficient (log P ow ) is an important index for measuring solubility, membrane permeability, and bioavailability in the drug discovery field. In this paper, the log P ow values of 58 compounds were predicted by alchemical free energy calculation using molecular dynamics simulation. In free energy calculations, the atomic charges of the compounds are always fixed. However, they must be recalculated for each solvent. Therefore, three different sets of atomic charges were tested using quantum chemical calculations, taking into account vacuum, octanol, and water environments. The calculated atomic charges in the different environments do not necessarily influence the correlation between calculated and experimentally measured ∆ G water values. The largest correlation coefficient values of the solvation free energy in water and octanol were 0.93 and 0.90, respectively. On the other hand, the correlation coefficient of log P ow values calculated from free energies, the largest of which was 0.92, was sensitive to the combination of the solvation free energies calculated from the calculated atomic charges. These results reveal that the solvent assumed in the atomic charge calculation is an important factor determining the accuracy of predicted log P ow values.

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

    ERIC Educational Resources Information Center

    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…

  19. Experiments in progress: The geography of science in the Atomic Energy Commission's peaceful uses of nuclear explosives program, 1956-1973

    NASA Astrophysics Data System (ADS)

    Kirsch, Scott Lawrence

    From 1957 to 1973, the United States Atomic Energy Commission (AEC) actively pursued the "peaceful uses of nuclear explosives" through Project Plowshare. Nuclear excavation, the detonation of shallowly buried hydrogen bombs for massive earthmoving projects like harbors and canals, was considered the most promising of the Plowshare applications, and for a time, the most economically and technically "feasible." With a basis in and contributing to theory in critical human geography and science studies, the purpose of this dissertation is to examine the collisions of science, ideology, and politics which kept Plowshare designs alive--but only as "experiments in progress." That is, this research asks how the experimental program persisted in places like the national weapons laboratory in Livermore, California, and how its ideas were tested at the nuclear test site in Nevada, yet Plowshare was kept out of those spaces beyond AEC control. Primary research focuses on AEC-related archival materials collected from the Department of Energy Coordination and Information Center, Las Vegas, Nevada, and from the Lawrence Livermore National Laboratory, as well as the public discourse through which support for and opposition to Plowshare projects was voiced. Through critical analysis of Plowshare's grandiose "geographical engineering" schemes, I thus examine the complex relations between the social construction of science and technology, on one hand, and the social production of space, on the other.

  20. Basic Energy Sciences Program Update

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None, None

    2016-01-04

    The U.S. Department of Energy’s (DOE) Office of Basic Energy Sciences (BES) supports fundamental research to understand, predict, and ultimately control matter and energy at the electronic, atomic, and molecular levels to provide the foundations for new energy technologies and to support DOE missions in energy, environment, and national security. The research disciplines covered by BES—condensed matter and materials physics, chemistry, geosciences, and aspects of physical biosciences— are those that discover new materials and design new chemical processes. These disciplines touch virtually every aspect of energy resources, production, conversion, transmission, storage, efficiency, and waste mitigation. BES also plans, constructs, andmore » operates world-class scientific user facilities that provide outstanding capabilities for imaging and spectroscopy, characterizing materials of all kinds ranging from hard metals to fragile biological samples, and studying the chemical transformation of matter. These facilities are used to correlate the microscopic structure of materials with their macroscopic properties and to study chemical processes. Such experiments provide critical insights to electronic, atomic, and molecular configurations, often at ultrasmall length and ultrafast time scales.« less

  1. NATIONAL ENVIRONMENTAL/ENERGY WORKFORCE ASSESSMENT. ENERGY PROGRAMS

    EPA Science Inventory

    The programs included in this volume are evidence that people are doing more than just talking about our energy future. In addition to well-established programs in nuclear engineering, mining, petroleum and natural gas technology and engineering, there are programs in energy conv...

  2. 12. Architectural Floor Plans, 233S, U.S. Atomic Energy Commission, Hanford ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    12. Architectural Floor Plans, 233-S, U.S. Atomic Energy Commission, Hanford Atomic Products Operations, General Electric Company, Dwg. H-2-30464, 1956. - Reduction-Oxidation Complex, Plutonium Concentration Facility, 200 West Area, Richland, Benton County, WA

  3. Resonance interaction energy between two entangled atoms in a photonic bandgap environment.

    PubMed

    Notararigo, Valentina; Passante, Roberto; Rizzuto, Lucia

    2018-03-26

    We consider the resonance interaction energy between two identical entangled atoms, where one is in the excited state and the other in the ground state. They interact with the quantum electromagnetic field in the vacuum state and are placed in a photonic-bandgap environment with a dispersion relation quadratic near the gap edge and linear for low frequencies, while the atomic transition frequency is assumed to be inside the photonic gap and near its lower edge. This problem is strictly related to the coherent resonant energy transfer between atoms in external environments. The analysis involves both an isotropic three-dimensional model and the one-dimensional case. The resonance interaction asymptotically decays faster with distance compared to the free-space case, specifically as 1/r 2 compared to the 1/r free-space dependence in the three-dimensional case, and as 1/r compared to the oscillatory dependence in free space for the one-dimensional case. Nonetheless, the interaction energy remains significant and much stronger than dispersion interactions between atoms. On the other hand, spontaneous emission is strongly suppressed by the environment and the correlated state is thus preserved by the spontaneous-decay decoherence effects. We conclude that our configuration is suitable for observing the elusive quantum resonance interaction between entangled atoms.

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

    DOE R&D Accomplishments Database

    Gosling, F. G.

    1999-01-01

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

  5. Correlation of Hydrogen-Atom Abstraction Reaction Efficiencies for Aryl Radicals with their Vertical Electron Affinities and the Vertical Ionization Energies of the Hydrogen Atom Donors

    PubMed Central

    Jing, Linhong; Nash, John J.

    2009-01-01

    The factors that control the reactivities of aryl radicals toward hydrogen-atom donors were studied by using a dual-cell Fourier-transform ion cyclotron resonance mass spectrometer (FT – ICR). Hydrogen-atom abstraction reaction efficiencies for two substrates, cyclohexane and isopropanol, were measured for twenty-three structurally different, positively-charged aryl radicals, which included dehydrobenzenes, dehydronaphthalenes, dehydropyridines, and dehydro(iso)quinolines. A logarithmic correlation was found between the hydrogen-atom abstraction reaction efficiencies and the (calculated) vertical electron affinities (EA) of the aryl radicals. Transition state energies calculated for three of the aryl radicals with isopropanol were found to correlate linearly with their (calculated) EAs. No correlation was found between the hydrogen-atom abstraction reaction efficiencies and the (calculated) enthalpy changes for the reactions. Measurement of the reaction efficiencies for the reactions of several different hydrogen-atom donors with a few selected aryl radicals revealed a logarithmic correlation between the hydrogen-atom abstraction reaction efficiencies and the vertical ionization energies (IE) of the hydrogen-atom donors, but not the lowest homolytic X – H (X = heavy atom) bond dissociation energies of the hydrogen-atom donors. Examination of the hydrogen-atom abstraction reactions of twenty-nine different aryl radicals and eighteen different hydrogen-atom donors showed that the reaction efficiency increases (logarithmically) as the difference between the IE of the hydrogen-atom donor and the EA of the aryl radical decreases. This dependence is likely to result from the increasing polarization, and concomitant stabilization, of the transition state as the energy difference between the neutral and ionic reactants decreases. Thus, the hydrogen-atom abstraction reaction efficiency for an aryl radical can be “tuned” by structural changes that influence either

  6. A Free-Energy Approach for All-Atom Protein Simulation

    PubMed Central

    Verma, Abhinav; Wenzel, Wolfgang

    2009-01-01

    All-atom free-energy methods offer a promising alternative to kinetic molecular mechanics simulations of protein folding and association. Here we report an accurate, transferable all-atom biophysical force field (PFF02) that stabilizes the native conformation of a wide range of proteins as the global optimum of the free-energy landscape. For 32 proteins of the ROSETTA decoy set and six proteins that we have previously folded with PFF01, we find near-native conformations with an average backbone RMSD of 2.14 Å to the native conformation and an average Z-score of −3.46 to the corresponding decoy set. We used nonequilibrium sampling techniques starting from completely extended conformations to exhaustively sample the energy surface of three nonhomologous hairpin-peptides, a three-stranded β-sheet, the all-helical 40 amino-acid HIV accessory protein, and a zinc-finger ββα motif, and find near-native conformations for the minimal energy for each protein. Using a massively parallel evolutionary algorithm, we also obtain a near-native low-energy conformation for the 54 amino-acid engrailed homeodomain. Our force field thus stabilized near-native conformations for a total of 20 proteins of all structure classes with an average RMSD of only 3.06 Å to their respective experimental conformations. PMID:19413955

  7. A free-energy approach for all-atom protein simulation.

    PubMed

    Verma, Abhinav; Wenzel, Wolfgang

    2009-05-06

    All-atom free-energy methods offer a promising alternative to kinetic molecular mechanics simulations of protein folding and association. Here we report an accurate, transferable all-atom biophysical force field (PFF02) that stabilizes the native conformation of a wide range of proteins as the global optimum of the free-energy landscape. For 32 proteins of the ROSETTA decoy set and six proteins that we have previously folded with PFF01, we find near-native conformations with an average backbone RMSD of 2.14 A to the native conformation and an average Z-score of -3.46 to the corresponding decoy set. We used nonequilibrium sampling techniques starting from completely extended conformations to exhaustively sample the energy surface of three nonhomologous hairpin-peptides, a three-stranded beta-sheet, the all-helical 40 amino-acid HIV accessory protein, and a zinc-finger beta beta alpha motif, and find near-native conformations for the minimal energy for each protein. Using a massively parallel evolutionary algorithm, we also obtain a near-native low-energy conformation for the 54 amino-acid engrailed homeodomain. Our force field thus stabilized near-native conformations for a total of 20 proteins of all structure classes with an average RMSD of only 3.06 A to their respective experimental conformations.

  8. College Chemistry Students' Understanding of Potential Energy in the Context of Atomic-Molecular Interactions

    ERIC Educational Resources Information Center

    Becker, Nicole M.; Cooper, Melanie M.

    2014-01-01

    Understanding the energy changes that occur as atoms and molecules interact forms the foundation for understanding the macroscopic energy changes that accompany chemical processes. In order to identify ways to scaffold students' understanding of the connections between atomic-molecular and macroscopic energy perspectives, we conducted a…

  9. The new postirradiation examination facility of the Atomic Energy Corporation of South Africa

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Walt, P.L. van der; Aspeling, J.C.; Jonker, W.D.

    1992-01-01

    The Pelindaba Hot Cell Complex (HCC) forms an important part of the infrastructure and support services of the Atomic Energy Corporation (AEC) of South Africa. It is a comprehensive, one-stop facility designed to make South Africa self-sufficient in the fields of spent-fuel qualification and verification, reactor pressure vessel surveillance program testing, ad hoc failure analyses for the nuclear power industry, and research and development studies in conjunction with the Safari I material test reactor (MTR) and irradiation rigs. Local technology and expertise was used for the design and construction of the HCC, which start up in 1980. The facility wasmore » commissioned in 1990.« less

  10. Laboratory astrophysics under the ultraviolet, visible, and gravitational astrophysics research program: Oscillator strengths for ultraviolet atomic transitions

    NASA Technical Reports Server (NTRS)

    Federman, Steven R.

    1992-01-01

    The conditions within astrophysical environments can be derived from observational data on atomic and molecular lines. For instance, the density and temperature of the gas are obtained from relative populations among energy levels. Information on populations comes about only when the correspondence between line strength and abundance is well determined. The conversion from line strength to abundance involves knowledge of meanlives and oscillator strengths. For many ultraviolet atomic transitions, unfortunately, the necessary data are either relatively imprecise or not available. Because of the need for more and better atomic oscillator strengths, our program was initiated. Through beam-foil spectroscopy, meanlives of ultraviolet atomic transitions are studied. In this technique, a nearly isotopically pure ion beam of the desired element is accelerated. The beam passes through a thin carbon foil (2 mg/cu cm), where neutralization, ionization, and excitation take place. The dominant process depends on the energy of the beam. Upon exiting the foil, the decay of excited states is monitored via single-photon-counting techniques. The resulting decay curve yields a meanlife. The oscillator strength is easily obtained from the meanlife when no other decay channels are presented. When other channels are present, additional measurements or theoretical calculations are performed in order to extract an oscillator strength. During the past year, three atomic systems have been studied experimentally and/or theoretically; they are Ar, I, Cl I, and N II. The results for the first two are important for studies of interstellar space, while the work on N II bears on processes occurring in planetary atmospheres.

  11. ATOMIC PHYSICS, AN AUTOINSTRUCTIONAL PROGRAM, VOLUME 3, SUPPLEMENT.

    ERIC Educational Resources Information Center

    DETERLINE, WILLIAM A.; KLAUS, DAVID J.

    THE AUTOINSTRUCTIONAL MATERIALS IN THIS TEXT WERE PREPARED FOR USE IN AN EXPERIMENTAL STUDY, OFFERING SELF-TUTORING MATERIAL FOR LEARNING ATOMIC PHYSICS. THE TOPICS COVERED ARE (1) NUCLEAR BINDING ENERGY, (2) DISCOVERY OF RADIOACTIVITY, (3) RADIOACTIVE RADIATIONS, (4) ALPHA AND BETA DECAY, (5) BETA DECAY REACTIONS, (6) RADIOACTIVE DATING AND…

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

    NASA Astrophysics Data System (ADS)

    Zhao, L. B.

    2018-04-01

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

  13. Considerable knock-on displacement of metal atoms under a low energy electron beam.

    PubMed

    Gu, Hengfei; Li, Geping; Liu, Chengze; Yuan, Fusen; Han, Fuzhou; Zhang, Lifeng; Wu, Songquan

    2017-03-15

    Under electron beam irradiation, knock-on atomic displacement is commonly thought to occur only when the incident electron energy is above the incident-energy threshold of the material in question. However, we report that when exposed to intense electrons at room temperature at a low incident energy of 30 keV, which is far below the theoretically predicted incident-energy threshold of zirconium, Zircaloy-4 (Zr-1.50Sn-0.25Fe-0.15Cr (wt.%)) surfaces can undergo considerable displacement damage. We demonstrate that electron beam irradiation of the bulk Zircaloy-4 surface resulted in a striking radiation effect that nanoscale precipitates within the surface layer gradually emerged and became clearly visible with increasing the irradiation time. Our transmission electron microscope (TEM) observations further reveal that electron beam irradiation of the thin-film Zircaly-4 surface caused the sputtering of surface α-Zr atoms, the nanoscale atomic restructuring in the α-Zr matrix, and the amorphization of precipitates. These results are the first direct evidences suggesting that displacement of metal atoms can be induced by a low incident electron energy below threshold. The presented way to irradiate may be extended to other materials aiming at producing appealing properties for applications in fields of nanotechnology, surface technology, and others.

  14. 77 FR 14509 - State Energy Program and Energy Efficiency and Conservation Block Grant (EECBG) Program; Request...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-12

    ... DEPARTMENT OF ENERGY [Docket No. EESEP0216] State Energy Program and Energy Efficiency and Conservation Block Grant (EECBG) Program; Request for Information AGENCY: Office of Energy Efficiency and... (SEP) and Energy Efficiency and Conservation Block Grant (EECBG) program, in support of energy...

  15. ATOMIC PHYSICS, AN AUTOINSTRUCTIONAL PROGRAM, VOLUME 4, SUPPLEMENT.

    ERIC Educational Resources Information Center

    DETERLINE, WILLIAM A.; KLAUS, DAVID J.

    THE AUTOINSTRUCTIONAL MATERIALS IN THIS TEXT WERE PREPARED FOR USE IN AN EXPERIMENTAL STUDY, OFFERING SELF-TUTORING MATERIAL FOR LEARNING ATOMIC PHYSICS. THE TOPICS COVERED ARE (1) RADIATION USES AND NUCLEAR FISSION, (2) NUCLEAR REACTORS, (3) ENERGY FROM NUCLEAR REACTORS, (4) NUCLEAR EXPLOSIONS AND FUSION, (5) A COMPREHENSIVE REVIEW, AND (6) A…

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

    NASA Technical Reports Server (NTRS)

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

    1995-01-01

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

  17. Energy of atomic shakeoff electrons from positron decay of 37K

    NASA Astrophysics Data System (ADS)

    Behr, John; Fenker, Benjamin; Gorelov, Alexandre; Anholm, Melissa; Behling, Spencer; Mehlman, Michael; Melconian, Dan; Ashery, Danny; Gwinner, Gerald

    2015-10-01

    We have measured the low-energy atomic shakeoff electron spectrum from the β+ decay of 37K. We collect atomic electrons emitted from laser-cooled 37K using a nearly uniform electric field at low magnetic field into a position-sensitive microchannel plate. A coincidence with energetic β+s removes background. The differential position information translates to a differential electron energy spectrum. The energy spectrum from 1-100 eV is reproduced well by an analytic calculation for hydrogenic wavefunctions [Levinger PR 90 11 (1953)] using potassium quantum defects. Less than one percent of the electrons have energies higher than the 25 eV threshold for double DNA strand breaks, so relative biological effectiveness would not be altered by including these electrons. The average energy carried off by these electrons (a few eV) is smaller than expected from simple Thomas-Fermi estimates (65eV). Supported by NSERC, NRC through TRIUMF, U.S. D.O.E., State of Texas, Israel Science Foundation

  18. Z-dependence of mean excitation energies for second and third row atoms and their ions

    NASA Astrophysics Data System (ADS)

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

    2018-05-01

    All mean excitation energies for second and third row atoms and their ions are calculated in the random-phase approximation using large basis sets. To a very good approximation, it turns out that mean excitation energies within an isoelectronic series are a quadratic function of the nuclear charge. It is demonstrated that this behavior is linked to the fact that the contributions from continuum electronic states give the dominate contributions to the mean excitation energies and that these contributions for atomic ions appear hydrogen-like. We argue that this finding may present a method to get a first estimate of mean excitation energies also for other non-relativistic atomic ions.

  19. 10 CFR 95.36 - Access by representatives of the International Atomic Energy Agency or by participants in other...

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 2 2014-01-01 2014-01-01 false Access by representatives of the International Atomic... Atomic Energy Agency or by participants in other international agreements. (a) Based upon written... an authorized representative of the International Atomic Energy Agency (IAEA) or other international...

  20. 10 CFR 95.36 - Access by representatives of the International Atomic Energy Agency or by participants in other...

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 2 2010-01-01 2010-01-01 false Access by representatives of the International Atomic... Atomic Energy Agency or by participants in other international agreements. (a) Based upon written... an authorized representative of the International Atomic Energy Agency (IAEA) or other international...

  1. 10 CFR 95.36 - Access by representatives of the International Atomic Energy Agency or by participants in other...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 2 2012-01-01 2012-01-01 false Access by representatives of the International Atomic... Atomic Energy Agency or by participants in other international agreements. (a) Based upon written... an authorized representative of the International Atomic Energy Agency (IAEA) or other international...

  2. 10 CFR 95.36 - Access by representatives of the International Atomic Energy Agency or by participants in other...

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 2 2013-01-01 2013-01-01 false Access by representatives of the International Atomic... Atomic Energy Agency or by participants in other international agreements. (a) Based upon written... an authorized representative of the International Atomic Energy Agency (IAEA) or other international...

  3. 10 CFR 95.36 - Access by representatives of the International Atomic Energy Agency or by participants in other...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 2 2011-01-01 2011-01-01 false Access by representatives of the International Atomic... Atomic Energy Agency or by participants in other international agreements. (a) Based upon written... an authorized representative of the International Atomic Energy Agency (IAEA) or other international...

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Goldman, Charles A.; Stuart, Elizabeth; Hoffman, Ian

    2011-02-25

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

  5. Programming models for energy-aware systems

    NASA Astrophysics Data System (ADS)

    Zhu, Haitao

    Energy efficiency is an important goal of modern computing, with direct impact on system operational cost, reliability, usability and environmental sustainability. This dissertation describes the design and implementation of two innovative programming languages for constructing energy-aware systems. First, it introduces ET, a strongly typed programming language to promote and facilitate energy-aware programming, with a novel type system design called Energy Types. Energy Types is built upon a key insight into today's energy-efficient systems and applications: despite the popular perception that energy and power can only be described in joules and watts, real-world energy management is often based on discrete phases and modes, which in turn can be reasoned about by type systems very effectively. A phase characterizes a distinct pattern of program workload, and a mode represents an energy state the program is expected to execute in. Energy Types is designed to reason about energy phases and energy modes, bringing programmers into the optimization of energy management. Second, the dissertation develops Eco, an energy-aware programming language centering around sustainability. A sustainable program built from Eco is able to adaptively adjusts its own behaviors to stay on a given energy budget, avoiding both deficit that would lead to battery drain or CPU overheating, and surplus that could have been used to improve the quality of the program output. Sustainability is viewed as a form of supply and demand matching, and a sustainable program consistently maintains the equilibrium between supply and demand. ET is implemented as a prototyped compiler for smartphone programming on Android, and Eco is implemented as a minimal extension to Java. Programming practices and benchmarking experiments in these two new languages showed that ET can lead to significant energy savings for Android Apps and Eco can efficiently promote battery awareness and temperature awareness in real

  6. Researcher Supported by Atomic Energy Commission and U.S. Department of

    Science.gov Websites

    Energy is Co-Winner Of 2008 Nobel Prize in Physics October 7, 2008 Researcher Supported by Atomic Energy Commission and U.S. Department of Energy is Co-Winner Of 2008 Nobel Prize in Physics -winning the 2008 Nobel Prize in Physics for their theoretical insights that provide a deeper understanding

  7. Energy-resolved coherent diffraction from laser-driven electronic motion in atoms

    NASA Astrophysics Data System (ADS)

    Shao, Hua-Chieh; Starace, Anthony F.

    2017-10-01

    We investigate theoretically the use of energy-resolved ultrafast electron diffraction to image laser-driven electronic motion in atoms. A chirped laser pulse is used to transfer the valence electron of the lithium atom from the ground state to the first excited state. During this process, the electronic motion is imaged by 100-fs and 1-fs electron pulses in energy-resolved diffraction measurements. Simulations show that the angle-resolved spectra reveal the time evolution of the energy content and symmetry of the electronic state. The time-dependent diffraction patterns are further interpreted in terms of the momentum transfer. For the case of incident 1-fs electron pulses, the rapid 2 s -2 p quantum beat motion of the target electron is imaged as a time-dependent asymmetric oscillation of the diffraction pattern.

  8. Computational model for noncontact atomic force microscopy: energy dissipation of cantilever.

    PubMed

    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.

  9. Energy Efficiency and Renewable Energy Program. Bibliography, 1993 edition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vaughan, K.H.

    1993-06-01

    The Bibliography contains listings of publicly available reports, journal articles, and published conference papers sponsored by the DOE Office of Energy Efficiency and Renewable Energy and published between 1987 and mid-1993. The topics of Bibliography include: analysis and evaluation; building equipment research; building thermal envelope systems and materials; district heating; residential and commercial conservation program; weatherization assistance program; existing buildings research program; ceramic technology project; alternative fuels and propulsion technology; microemulsion fuels; industrial chemical heat pumps; materials for advanced industrial heat exchangers; advanced industrial materials; tribology; energy-related inventions program; electric energy systems; superconducting technology program for electric energy systems; thermalmore » energy storage; biofuels feedstock development; biotechnology; continuous chromatography in multicomponent separations; sensors for electrolytic cells; hydropower environmental mitigation; environmental control technology; continuous fiber ceramic composite technology.« less

  10. Programs in Renewable Energy

    NASA Astrophysics Data System (ADS)

    1990-01-01

    Our nation faces significant challenges as we enter the 1990s: securing a reliable supply of competitively priced energy, improving the quality of our environment, and increasing our share of foreign markets for goods and services. The U.S. Department of Energy's (DOE) Programs in Renewable Energy are working toward meeting these challenges by developing the technologies that make use of our nation's largest energy resource: renewable energy. The sunlight, wind biomass, flowing water, ocean energy, and geothermal energy that make up the renewable energy resource can be found throughout our nation. These resources can provide all the forms of energy our nation needs: liquid fuels, electricity, and heating and cooling. Renewable energy meets about 10 percent of our need for these forms of energy today, yet the potential contribution is many times greater. DOE's Programs in Renewable Energy are working side-by-side with American industry to develop the technologies that convert renewable energy resources into practical, cost-competitive energy. After a decade of progress in research, several of these technologies are poised to make large contributions during the 1990s and beyond. This booklet provides an overview of the renewable energy programs and their plans for FY 1990. Sources of additional information are listed at the back of the booklet.

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

    ERIC Educational Resources Information Center

    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. First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction

    NASA Astrophysics Data System (ADS)

    Zhao, Xiu-Qin; Liu, Ni; Liang, Jiu-Qing

    2017-05-01

    In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. Supported by the National Natural Science Foundation of China under Grant Nos. 11275118, 11404198, 91430109, 61505100, 51502189, and the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi Province (STIP) under Grant No. 2014102, and the Launch of the Scientific Research of Shanxi University under Grant No. 011151801004, and the National Fundamental Fund of Personnel Training under Grant No. J1103210. The Natural Science Foundation of Shanxi Province under Grant No. 2015011008

  13. Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations for Z between 2 and 106

    NASA Technical Reports Server (NTRS)

    Huang, K.-N.; Aoyagi, M.; Mark, H.; Chen, M. H.; Crasemann, B.

    1976-01-01

    Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers ranging from 2 to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms over the indicated range of atomic numbers. A self-energy correction is included for the 1s, 2s, and 2p(1/2) levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

  14. Controlling the atom. The beginnings of nuclear regulation 1946--1962

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mazuzan, G.T.; Walker, J.S.

    This book traces the early history of nuclear power regulation in the US. It focuses on the Atomic Energy Commission (AEC), the federal agency that until 1975 was primarily responsible for planning and carrying out programs to protect public health and safety from the hazards of the civilian use of nuclear energy. It also describes the role of other groups that figured significantly in the development of regulatory policies, including the congressional Joint Committee on Atomic Energy, federal agencies other than the AEC, state governments, the nuclear industry, and scientific organizations. And it considers changes in public perceptions of andmore » attitudes toward atomic energy and the dangers of radiation exposure. The context in which regulatory programs evolved is a rich and complex mixture of political, legislative, legal, technological, scientific, and administrative history. The basic purpose of this book is to provide the Nuclear Regulatory Commission (NRC), which inherited responsibility for nuclear safety after Congress disbanded the AEC, and the general public with information on the historical antecedents and background of regulatory issues.« less

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

    NASA Astrophysics Data System (ADS)

    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 (< 1eV - < 100 eV) as well as Hydrogen back-scattered at hundreds eV. MCP absolute detection efficiency for very low energy neutral atoms (E < 30 eV) is a crucial point for this investigation. At the 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.

  16. Geothermal energy program overview

    NASA Astrophysics Data System (ADS)

    1991-12-01

    The mission of the Geothermal Energy Program is to develop the science and technology necessary for tapping our nation's tremendous heat energy sources contained within the Earth. Geothermal energy is a domestic energy source that can produce clean, reliable, cost-effective heat and electricity for our nation's energy needs. Geothermal energy - the heat of the Earth - is one of our nation's most abundant energy resources. In fact, geothermal energy represents nearly 40 percent of the total U.S. energy resource base and already provides an important contribution to our nation's energy needs. Geothermal energy systems can provide clean, reliable, cost-effective energy for our nation's industries, businesses, and homes in the form of heat and electricity. The U.S. Department of Energy's (DOE) Geothermal Energy Program sponsors research aimed at developing the science and technology necessary for utilizing this resource more fully. Geothermal energy originates from the Earth's interior. The hottest fluids and rocks at accessible depths are associated with recent volcanic activity in the western states. In some places, heat comes to the surface as natural hot water or steam, which have been used since prehistoric times for cooking and bathing. Today, wells convey the heat from deep in the Earth to electric generators, factories, farms, and homes. The competitiveness of power generation with lower quality hydrothermal fluids, geopressured brines, hot dry rock, and magma (the four types of geothermal energy), still depends on the technical advancements sought by DOE's Geothermal Energy Program.

  17. Influence of average ion energy and atomic oxygen flux per Si atom on the formation of silicon oxide permeation barrier coatings on PET

    NASA Astrophysics Data System (ADS)

    Mitschker, F.; Wißing, J.; Hoppe, Ch; de los Arcos, T.; Grundmeier, G.; Awakowicz, P.

    2018-04-01

    The respective effect of average incorporated ion energy and impinging atomic oxygen flux on the deposition of silicon oxide (SiO x ) barrier coatings for polymers is studied in a microwave driven low pressure discharge with additional variable RF bias. Under consideration of plasma parameters, bias voltage, film density, chemical composition and particle fluxes, both are determined relative to the effective flux of Si atoms contributing to film growth. Subsequently, a correlation with barrier performance and chemical structure is achieved by measuring the oxygen transmission rate (OTR) and by performing x-ray photoelectron spectroscopy. It is observed that an increase in incorporated energy to 160 eV per deposited Si atom result in an enhanced cross-linking of the SiO x network and, therefore, an improved barrier performance by almost two orders of magnitude. Furthermore, independently increasing the number of oxygen atoms to 10 500 per deposited Si atom also lead to a comparable barrier improvement by an enhanced cross-linking.

  18. 75 FR 6070 - Notice of Public Meeting on the International Atomic Energy Agency Basic Safety Standards Version...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-05

    ... Energy Agency Basic Safety Standards Version 3.0, Draft Safety Requirements DS379 AGENCY: Nuclear Regulatory Commission. ACTION: Notice of Public Meeting on the International Atomic Energy Agency Basic... development of U.S. Government comments on this International Atomic Energy Agency (IAEA) draft General Safety...

  19. Combined Film Catalog, 1972, United States Atomic Energy Commission.

    ERIC Educational Resources Information Center

    Atomic Energy Commission, Washington, DC.

    A comprehensive listing of all current United States Atomic Energy Commission (USAEC) films, this catalog describes 232 films in two major film collections. Part One: Education-Information contains 17 subject categories and two series and describes 134 films with indicated understanding levels on each film for use by schools. The categories…

  20. Clock Technology Development for the Laser Cooling and Atomic Physics (LCAP) Program

    NASA Technical Reports Server (NTRS)

    Klipstein, W. M.; Thompson, R. J.; Seidel, D. J.; Kohel, J.; Maleki, L.

    1998-01-01

    The Time and Frequency Sciences and Technology Group at Jet Propulsion Laboratory (JPL) has developed a laser cooling capability for flight and has been selected by NASA to support the Laser-Cooling and Atomic Physics (LCAP) program. Current work in the group includes design and development for tee two laser-cooled atomic clock experiments which have been selected for flight on the International Space Station.

  1. 18 CFR 35.29 - Treatment of special assessments levied under the Atomic Energy Act of 1954, as amended by Title...

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... assessments levied under the Atomic Energy Act of 1954, as amended by Title XI of the Energy Policy Act of... Other Filing Requirements § 35.29 Treatment of special assessments levied under the Atomic Energy Act of... relating to special assessments under the Atomic Energy Act of 1954, as amended by the Energy Policy Act of...

  2. 18 CFR 35.29 - Treatment of special assessments levied under the Atomic Energy Act of 1954, as amended by Title...

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... assessments levied under the Atomic Energy Act of 1954, as amended by Title XI of the Energy Policy Act of... Other Filing Requirements § 35.29 Treatment of special assessments levied under the Atomic Energy Act of... relating to special assessments under the Atomic Energy Act of 1954, as amended by the Energy Policy Act of...

  3. 18 CFR 35.29 - Treatment of special assessments levied under the Atomic Energy Act of 1954, as amended by Title...

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... assessments levied under the Atomic Energy Act of 1954, as amended by Title XI of the Energy Policy Act of... Other Filing Requirements § 35.29 Treatment of special assessments levied under the Atomic Energy Act of... relating to special assessments under the Atomic Energy Act of 1954, as amended by the Energy Policy Act of...

  4. 18 CFR 35.29 - Treatment of special assessments levied under the Atomic Energy Act of 1954, as amended by Title...

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... assessments levied under the Atomic Energy Act of 1954, as amended by Title XI of the Energy Policy Act of... Other Filing Requirements § 35.29 Treatment of special assessments levied under the Atomic Energy Act of... relating to special assessments under the Atomic Energy Act of 1954, as amended by the Energy Policy Act of...

  5. 18 CFR 35.29 - Treatment of special assessments levied under the Atomic Energy Act of 1954, as amended by Title...

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... assessments levied under the Atomic Energy Act of 1954, as amended by Title XI of the Energy Policy Act of... Other Filing Requirements § 35.29 Treatment of special assessments levied under the Atomic Energy Act of... relating to special assessments under the Atomic Energy Act of 1954, as amended by the Energy Policy Act of...

  6. Comparison of Martian meteorites with earth composition: Study of effective atomic numbers in the energy range 1 keV-100 GeV

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ün, Adem, E-mail: ademun25@yahoo.com; Han, İbrahim, E-mail: ibrahimhan25@hotmail.com; Ün, Mümine, E-mail: mun@agri.edu.tr

    2016-04-18

    Effective atomic (Z{sub eff}) and electron numbers (N{sub eff}) for 24 Martian meteorites have been determined in the energy range from 1 keV to 100 GeV and also for sixteen significant energies of commonly used radioactive sources. The values of Z{sub eff} and N{sub eff} for all sample were obtained from the DirectZeff program. The obtained results for Martian meteorites have been compared with the results for Earth composition and similarities or differences also evaluated.

  7. Kinetic-Energy Distribution of D(2p) Atoms from Analysis of the D Lyman-Alpha Line Profile

    NASA Technical Reports Server (NTRS)

    Ciocca, M.; Ajello, Joseph M.; Liu, Xianming; Maki, Justin

    1997-01-01

    The kinetic-energy distribution of D(2p) atoms resulting from electron-impact dissociation of D2 has been measured. A high-resolution vacuum ultraviolet spectrometer was employed for the first measurement of the D Lyman-alpha (D L(alpha)) emission line profiles at 20- and 100-eV excitation energies. Analysis of the deconvoluted line profile of D L(alpha) at 100 eV reveals the existence of a narrow line central peak of 29+/-2 mA full width at half maximum and a broad pedestal wing structure about 190 mA wide. The wings of the line can be used to determine the fast atom distribution. The wings of D L(alpha) arise from dissociative excitation of a series of doubly excited states that cross the Franck-Condon region between 23 and 40 eV. The fast atom distribution at 100-eV electron impact energy spans the energy range from 1 to 10 eV with a peak value near 6 eV. Slow D(2p) atoms characterized by a distribution function with peak energy near 100 meV produce the central peak profile, which is nearly independent of the impact energy. The deconvoluted line profiles of the central peak at 20 eV for dissociative excitation of D2 and H2 are fitted with an analytical function for use in calibration of space flight instrumentation equipped with a D/H absorption cell. The kinetic-energy and line profile results are compared to similar measurements for H2. The absolute cross sections for the line center (slow atoms) and wings (fast atoms) and total emission line profile were measured from threshold to 400 eV. Analytical model coefficients are given for the energy dependence of the measured slow atom cross section.

  8. Kinetic Energy and Angular Distributions of He and Ar Atoms Evaporating from Liquid Dodecane.

    PubMed

    Patel, Enamul-Hasan; Williams, Mark A; Koehler, Sven P K

    2017-01-12

    We report both kinetic energy and angular distributions for He and Ar atoms evaporating from C 12 H 26 . All results were obtained by performing molecular dynamics simulations of liquid C 12 H 26 with around 10-20 noble gas atoms dissolved in the liquid and by subsequently following the trajectories of the noble gas atoms after evaporation from the liquid. Whereas He evaporates with a kinetic energy distribution of (1.05 ± 0.03) × 2RT (corrected for the geometry used in experiments: (1.08 ± 0.03) × 2RT, experimentally obtained value: (1.14 ± 0.01) × 2RT), Ar displays a kinetic energy distribution that better matches a Maxwell-Boltzmann distribution at the temperature of the liquid ((0.99 ± 0.04) × 2RT). This behavior is also reflected in the angular distributions, which are close to a cosine distribution for Ar but slightly narrower, especially for faster atoms, in the case of He. This behavior of He is most likely due to the weak interaction potential between He and the liquid hydrocarbon.

  9. The Program Administrator Cost of Saved Energy for Utility Customer-Funded Energy Efficiency Programs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Billingsley, Megan A.; Hoffman, Ian M.; Stuart, Elizabeth

    End-use energy efficiency is increasingly being relied upon as a resource for meeting electricity and natural gas utility system needs within the United States. There is a direct connection between the maturation of energy efficiency as a resource and the need for consistent, high-quality data and reporting of efficiency program costs and impacts. To support this effort, LBNL initiated the Cost of Saved Energy Project (CSE Project) and created a Demand-Side Management (DSM) Program Impacts Database to provide a resource for policy makers, regulators, and the efficiency industry as a whole. This study is the first technical report of themore » LBNL CSE Project and provides an overview of the project scope, approach, and initial findings, including: • Providing a proof of concept that the program-level cost and savings data can be collected, organized, and analyzed in a systematic fashion; • Presenting initial program, sector, and portfolio level results for the program administrator CSE for a recent time period (2009-2011); and • Encouraging state and regional entities to establish common reporting definitions and formats that would make the collection and comparison of CSE data more reliable. The LBNL DSM Program Impacts Database includes the program results reported to state regulators by more than 100 program administrators in 31 states, primarily for the years 2009–2011. In total, we have compiled cost and energy savings data on more than 1,700 programs over one or more program-years for a total of more than 4,000 program-years’ worth of data, providing a rich dataset for analyses. We use the information to report costs-per-unit of electricity and natural gas savings for utility customer-funded, end-use energy efficiency programs. The program administrator CSE values are presented at national, state, and regional levels by market sector (e.g., commercial, industrial, residential) and by program type (e.g., residential whole home programs, commercial

  10. Analysis of state-energy-program capabilities

    NASA Astrophysics Data System (ADS)

    Tatar, J.; Clifford, D.; Gunnison, F.; Humphrey, B.

    1981-05-01

    The potential effects on state energy programs of a reduction in the financial assistance available through the state and local assistance programs and the distribution of those effects are assessed. The assessment is based on a survey of nine state energy offices (SEOs), which were selected on the basis of state support of energy programs weighted by state energy consumption. The nine SEOs surveyed were the Arizona Energy Office, Arkansas Department of Energy, California Energy Commission, Florida Governor's Energy Office, Illinois Institute of Natural Resources, Minnesota Energy Agency, New Jersey Department of Energy, South Carolina Governor's Division of Energy Resources, and Washington State Energy Office.

  11. Army Programs: Army Energy Program

    DTIC Science & Technology

    1997-02-03

    the Energy Program. o Expands the responsibilities of the Assistant Chief of Staff for Installation Management (para 1-4). o Includes ridesharing as...Energy Technology Service (FETS) • 3–13, page 6 Energy Surveys • 3–14, page 6 Army Energy Awareness Seminars • 3–15, page 6 Army ridesharing • 3–16...DUERS) • 4–1, page 6 Army DUERS Data System (RADDS) • 4–2, page 7 Designation of reporters • 4–3, page 7 MACOM responsibilities • 4–4, page 7

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

    PubMed

    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. Copyright © 2015, American Association for the Advancement of Science.

  13. The International Atomic Energy Agency

    ERIC Educational Resources Information Center

    Dufour, Joanne

    2004-01-01

    The dropping of atomic bombs on Hiroshima and Nagasaki in World War II inaugurated a new era in world history, the atomic age. After the war, the Soviet Union, eager to develop the same military capabilities as those demonstrated by the United States, soon rivaled the U.S. as an atomic and nuclear superpower. Faced by the possibility of…

  14. Atomically thick bismuth selenide freestanding single layers achieving enhanced thermoelectric energy harvesting.

    PubMed

    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.

  15. Low-energy electron scattering from atomic hydrogen. II. Elastic and inelastic scattering

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    James, K.E. Jr.; Childers, J.G.; Khakoo, M.A.

    2004-02-01

    We present measurements of differential cross sections for elastic electron scattering from atomic hydrogen at 20 eV and 40 eV incident electron energies and ratios of differential cross sections for electron-impact excitation of atomic hydrogen to the n=2, 3, and 4 levels at incident electron energies of 14.6 eV, 15.6 eV, 17.6 eV, 20 eV, 25 eV, and 40 eV with scattering angles ranging from 10 deg. to 130 deg. We compare our results to available experimental measurements and recent convergent close-coupling calculations. Our results resolve significant discrepancies that existed between theory and past experiments.

  16. Energy Innovation Acceleration Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wolfson, Johanna

    The Energy Innovation Acceleration Program (IAP) – also called U-Launch – has had a significant impact on early stage clean energy companies in the Northeast and on the clean energy economy in the Northeast, not only during program execution (2010-2014), but continuing into the future. Key results include: Leverage ratio of 105:1; $105M in follow-on funding (upon $1M investment by EERE); At least 19 commercial products launched; At least 17 new industry partnerships formed; At least $6.5M in revenue generated; >140 jobs created; 60% of assisted companies received follow-on funding within 1 year of program completion; In addition to themore » direct measurable program results summarized above, two primary lessons emerged from our work executing Energy IAP:; Validation and demonstration awards have an outsized, ‘tipping-point’ effect for startups looking to secure investments and strategic partnerships. An ecosystem approach is valuable, but an approach that evaluates the needs of individual companies and then draws from diverse ecosystem resources to fill them, is most valuable of all.« less

  17. Potential Energy Curves and Transport Properties for the Interaction of He with Other Ground-state Atoms

    NASA Technical Reports Server (NTRS)

    Partridge, Harry; Stallcop, James R.; Levin, Eugene; Arnold, Jim (Technical Monitor)

    2001-01-01

    The interactions of a He atom with a heavier atom are examined for 26 different elements, which are consecutive members selected from three rows (Li - Ne, Na - Ar, and K,Ca, Ga - Kr) and column 12 (Zn,Cd) of the periodic table. Interaction energies are determined wing high-quality ab initio calculations for the states of the molecule that would be formed from each pair of atoms in their ground states. Potential energies are tabulated for a broad range of Interatomic separation distances. The results show, for example, that the energy of an alkali interaction at small separations is nearly the same as that of a rare-gas interaction with the same electron configuration for the dosed shells. Furthermore, the repulsive-range parameter for this region is very short compared to its length for the repulsion dominated by the alkali-valence electron at large separations (beyond about 3-4 a(sub 0)). The potential energies in the region of the van der Waals minimum agree well with the most accurate results available. The ab initio energies are applied to calculate scattering cross sections and obtain the collision integrals that are needed to determine transport properties to second order. The theoretical values of Li-He total scattering cross sections and the rare-gas atom-He transport properties agree well (to within about 1%) with the corresponding measured data. Effective potential energies are constructed from the ab initio energies; the results have been shown to reproduce known transport data and can be readily applied to predict unknown transport properties for like-atom interactions.

  18. 75 FR 24755 - DTE ENERGY; Enrico Fermi Atomic Power Plant Unit 1; Exemption From Certain Low-Level Waste...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-05

    ... NUCLEAR REGULATORY COMMISSION [Docket No. 50-16; NRC-2009-0073] DTE ENERGY; Enrico Fermi Atomic... License No. DPR-9 issued for Enrico Fermi Atomic Power Plant, Unit 1 (Fermi-1), located in Monroe County... undue hazard to life or property. There are no provisions in the Atomic Energy Act (or in any other...

  19. 77 FR 51832 - Atomic Safety and Licensing Board; In the Matter of Progress Energy Florida, Inc. (Levy County...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-08-27

    ...] Atomic Safety and Licensing Board; In the Matter of Progress Energy Florida, Inc. (Levy County Nuclear.... Anthony J. Baratta and Dr. Randall J. Charbeneau Notice of Hearing This Atomic Safety and Licensing Board... the authority of the Atomic Energy Act, 42 U.S.C. 2231, 2239, and 2241. It will be conducted pursuant...

  20. Atomic Oxygen Energy in Low Frequency Hyperthermal Plasma Ashers

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Miller, Sharon K R.; Kneubel, Christian A.

    2014-01-01

    Experimental and analytical analysis of the atomic oxygen erosion of pyrolytic graphite as well as Monte Carlo computational modeling of the erosion of Kapton H (DuPont, Wilmington, DE) polyimide was performed to determine the hyperthermal energy of low frequency (30 to 35 kHz) plasma ashers operating on air. It was concluded that hyperthermal energies in the range of 0.3 to 0.9 eV are produced in the low frequency air plasmas which results in texturing similar to that in low Earth orbit (LEO). Monte Carlo computational modeling also indicated that such low energy directed ions are fully capable of producing the experimentally observed textured surfaces in low frequency plasmas.

  1. 11. Building Layout, 185189 D, U.S. Atomic Energy Commission, Richland ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    11. Building Layout, 185-189 D, U.S. Atomic Energy Commission, Richland Operations Office, Dwg. No. H-1-14844, 1957. - D-Reactor Complex, Deaeration Plant-Refrigeration Buildings, Area 100-D, Richland, Benton County, WA

  2. Atomic-Resolution X-ray Energy-Dispersive Spectroscopy Chemical Mapping of Substitutional Dy Atoms in a High-Coercivity Neodymium Magnet

    NASA Astrophysics Data System (ADS)

    Itakura, Masaru; Watanabe, Natsuki; Nishida, Minoru; Daio, Takeshi; Matsumura, Syo

    2013-05-01

    We have investigated local element distributions in a Dy-doped Nd2Fe14B hot-deformed magnet by atomic-column resolution chemical mapping using an X-ray energy-dispersive spectrometer (XEDS) attached to an aberration-corrected scanning transmission electron microscope (Cs-corrected STEM). The positions of the Nd and Dy atomic columns were visualized in the XEDS maps. The substitution of Dy was limited to a surface layer 2-3 unit cells thick in the Nd2Fe14B grains, and the Dy atoms preferentially occupied the 4f-Nd sites of Nd2Fe14B. These results provide further insights into the principal mechanism governing the coercivity enhancement due to Dy doping.

  3. Effective Atomic Number, Mass Attenuation Coefficient Parameterization, and Implications for High-Energy X-Ray Cargo Inspection Systems

    NASA Astrophysics Data System (ADS)

    Langeveld, Willem G. J.

    The most widely used technology for the non-intrusive active inspection of cargo containers and trucks is x-ray radiography at high energies (4-9 MeV). Technologies such as dual-energy imaging, spectroscopy, and statistical waveform analysis can be used to estimate the effective atomic number (Zeff) of the cargo from the x-ray transmission data, because the mass attenuation coefficient depends on energy as well as atomic number Z. The estimated effective atomic number, Zeff, of the cargo then leads to improved detection capability of contraband and threats, including special nuclear materials (SNM) and shielding. In this context, the exact meaning of effective atomic number (for mixtures and compounds) is generally not well-defined. Physics-based parameterizations of the mass attenuation coefficient have been given in the past, but usually for a limited low-energy range. Definitions of Zeff have been based, in part, on such parameterizations. Here, we give an improved parameterization at low energies (20-1000 keV) which leads to a well-defined Zeff. We then extend this parameterization up to energies relevant for cargo inspection (10 MeV), and examine what happens to the Zeff definition at these higher energies.

  4. Free-energy landscape of the villin headpiece in an all-atom force field.

    PubMed

    Herges, Thomas; Wenzel, Wolfgang

    2005-04-01

    We investigate the landscape of the internal free-energy of the 36 amino acid villin headpiece with a modified basin hopping method in the all-atom force field PFF01, which was previously used to predictively fold several helical proteins with atomic resolution. We identify near native conformations of the protein as the global optimum of the force field. More than half of the twenty best simulations started from random initial conditions converge to the folding funnel of the native conformation, but several competing low-energy metastable conformations were observed. From 76,000 independently generated conformations we derived a decoy tree which illustrates the topological structure of the entire low-energy part of the free-energy landscape and characterizes the ensemble of metastable conformations. These emerge as similar in secondary content, but differ in tertiary arrangement.

  5. ELENA MCP detector: absolute efficiency measurement for low energy neutral atoms

    NASA Astrophysics Data System (ADS)

    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 (<1eV and >100 eV) as well as Hydrogen back-scattered at hundreds eV. MCP absolute detection efficiency for very low energy neutral atoms (E< 30eV) is a crucial point not yet investigated. At the MEFISTO 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.

  6. Simple method for determining binding energies of fullerene and complex atomic negative ions

    NASA Astrophysics Data System (ADS)

    Felfli, Zineb; Msezane, Alfred

    2017-04-01

    A robust potential which embeds fully the vital core polarization interaction has been used in the Regge pole method to explore low-energy electron scattering from C60, Eu and Nb through the total cross sections (TCSs) calculations. From the characteristic dramatically sharp resonances in the TCSs manifesting negative ion formation in these systems, we extracted the binding energies for the C60, Euand Nbanions they are found to be in outstanding agreement with the measured electron affinities of C60, Eu and Nb. Common among these considered systems, including the standard atomic Au is the formation of their ground state negative ions at the second Ramsauer-Townsend (R-T) minima of their TCSs. Indeed, this is a signature of all the fullerenes and complex atoms considered thus far. Shape resonances, R-T minima and binding energies of the resultant anions are presented. This work was supported by U.S. DOE, Basic Energy Sciences, Office of Energy Research.

  7. Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

    NASA Technical Reports Server (NTRS)

    Kharchenko, Vasili; Dalgarno, A.

    2005-01-01

    This report summarizes our research performed under NASA Grant NAG5-11857. The three-year grant have been supported by the Geospace Sciences SR&T program. We have investigated the energetic metastable oxygen and nitrogen atoms in the terrestrial stratosphere, mesosphere and thermosphere. Hot atoms in the atmosphere are produced by solar radiation, the solar wind and various ionic reactions. Nascent hot atoms arise in ground and excited electronic states, and their translational energies are larger by two - three orders of magnitude than the thermal energies of the ambient gas. The relaxation kinetics of hot atoms determines the rate of atmospheric heating, the intensities of aeronomic reactions, and the rate of atom escape from the planet. Modeling of the non-Maxwellian energy distributions of metastable oxygen and nitrogen atoms have been focused on the determination of their impact on the energetics and chemistry of the terrestrial atmosphere between 25 and 250 km . At this altitudes, we have calculated the energy distribution functions of metastable O and N atoms and computed non-equilibrium rates of important aeronomic reactions, such as destruction of the water molecules by O(1D) atoms and production of highly excited nitric oxide molecules. In the upper atmosphere, the metastable O(lD) and N(2D) play important role in formation of the upward atomic fluxes. We have computed the upward fluxes of the metastable and ground state oxygen atoms in the upper atmosphere above 250 km. The accurate distributions of the metastable atoms have been evaluated for the day and night-time conditions.

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

    PubMed

    Vyboishchikov, Sergei F

    2016-12-05

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

  9. GRASP92: a package for large-scale relativistic atomic structure calculations

    NASA Astrophysics Data System (ADS)

    Parpia, F. A.; Froese Fischer, C.; Grant, I. P.

    2006-12-01

    Program summaryTitle of program: GRASP92 Catalogue identifier: ADCU_v1_1 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADCU_v1_1 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: no Programming language used: Fortran Computer: IBM POWERstation 320H Operating system: IBM AIX 3.2.5+ RAM: 64M words No. of lines in distributed program, including test data, etc.: 65 224 No of bytes in distributed program, including test data, etc.: 409 198 Distribution format: tar.gz Catalogue identifier of previous version: ADCU_v1_0 Journal reference of previous version: Comput. Phys. Comm. 94 (1996) 249 Does the new version supersede the previous version?: Yes Nature of problem: Prediction of atomic spectra—atomic energy levels, oscillator strengths, and radiative decay rates—using a 'fully relativistic' approach. Solution method: Atomic orbitals are assumed to be four-component spinor eigenstates of the angular momentum operator, j=l+s, and the parity operator Π=βπ. Configuration state functions (CSFs) are linear combinations of Slater determinants of atomic orbitals, and are simultaneous eigenfunctions of the atomic electronic angular momentum operator, J, and the atomic parity operator, P. Lists of CSFs are either explicitly prescribed by the user or generated from a set of reference CSFs, a set of subshells, and rules for deriving other CSFs from these. Approximate atomic state functions (ASFs) are linear combinations of CSFs. A variational functional may be constructed by combining expressions for the energies of one or more ASFs. Average level (AL) functionals are weighted sums of energies of all possible ASFs that may be constructed from a set of CSFs; the number of ASFs is then the same as the number, n, of CSFs. Optimal level (OL) functionals are weighted sums of energies of some subset of ASFs; the GRASP92 package is optimized for this latter class of functionals. The composition of an ASF in terms

  10. Data Center Energy Practitioner (DCEP) Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Traber, Kim; Salim, Munther; Sartor, Dale A.

    2016-02-02

    The main objective for the DCEP program is to raise the standards of those involved in energy assessments of data centers to accelerate energy savings. The program is driven by the fact that significant knowledge, training, and skills are required to perform accurate energy assessments. The program will raise the confidence level in energy assessments in data centers. For those who pass the exam, the program will recognize them as Data Center Energy Practitioners (DCEPs) by issuing a certificate. Hardware req.: PC, MAC; Software Req.: Windows; Related/Auxiliary software--MS Office; Type of files: executable modules, user guide; Documentation: e-user manual; Documentation:more » http://www.1.eere.energy.gov/industry/datacenters/ 12/10/15-New Documentation URL: https://datacenters.lbl.gov/dcep« less

  11. Potential energy functions for atomic-level simulations of water and organic and biomolecular systems.

    PubMed

    Jorgensen, William L; Tirado-Rives, Julian

    2005-05-10

    An overview is provided on the development and status of potential energy functions that are used in atomic-level statistical mechanics and molecular dynamics simulations of water and of organic and biomolecular systems. Some topics that are considered are the form of force fields, their parameterization and performance, simulations of organic liquids, computation of free energies of hydration, universal extension for organic molecules, and choice of atomic charges. The discussion of water models covers some history, performance issues, and special topics such as nuclear quantum effects.

  12. Measurements of the Activation Energies for Atomic Hydrogen Diffusion on Pure Solid CO

    NASA Astrophysics Data System (ADS)

    Kimura, Y.; Tsuge, M.; Pirronello, V.; Kouchi, A.; Watanabe, N.

    2018-05-01

    The diffusion of hydrogen atoms on dust grains is a key process in the formation of interstellar H2 and some hydrogenated molecules such as formaldehyde and methanol. We investigate the adsorption and diffusion of H atoms on pure solid CO as an analog of dust surfaces observed toward some cold interstellar regions. Using a combination of photostimulated desorption and resonance-enhanced multiphoton ionization methods to detect H atoms directly, the relative adsorption probabilities and diffusion coefficients of the H atoms are measured on pure solid CO at 8, 12, and 15 K. There is little difference between the diffusion coefficients of the hydrogen and deuterium atoms, indicating that the diffusion is limited by thermal hopping. The activation energies controlling the H-atom diffusion depend on the surface temperature, and values of 22, 30, and ∼37 meV were obtained for 8, 12, and 15 K, respectively.

  13. Simultaneous multielement atomic absorption spectrometry with graphite furnace atomization

    NASA Astrophysics Data System (ADS)

    Harnly, James M.; Miller-Ihli, Nancy J.; O'Haver, Thomas C.

    The extended analytical range capability of a simultaneous multielement atomic absorption continuum source spectrometer (SIMAAC) was tested for furnace atomization with respect to the signal measurement mode (peak height and area), the atomization mode (from the wall or from a platform), and the temperature program mode (stepped or ramped atomization). These parameters were evaluated with respect to the shapes of the analytical curves, the detection limits, carry-over contamination and accuracy. Peak area measurements gave more linear calibration curves. Methods for slowing the atomization step heating rate, the use of a ramped temperature program or a platform, produced similar calibration curves and longer linear ranges than atomization with a stepped temperature program. Peak height detection limits were best using stepped atomization from the wall. Peak area detection limits for all atomization modes were similar. Carry-over contamination was worse for peak area than peak height, worse for ramped atomization than stepped atomization, and worse for atomization from a platform than from the wall. Accurate determinations (100 ± 12% for Ca, Cu, Fe, Mn, and Zn in National Bureau of Standards' Standard Reference Materials Bovine Liver 1577 and Rice Flour 1568 were obtained using peak area measurements with ramped atomization from the wall and stepped atomization from a platform. Only stepped atomization from a platform gave accurate recoveries for K. Accurate recoveries, 100 ± 10%, with precisions ranging from 1 to 36 % (standard deviation), were obtained for the determination of Al, Co, Cr, Fe, Mn, Mo, Ni. Pb, V and Zn in Acidified Waters (NBS SRM 1643 and 1643a) using stepped atomization from a platform.

  14. The SERI solar energy storage program

    NASA Technical Reports Server (NTRS)

    Copeland, R. J.; Wright, J. D.; Wyman, C. E.

    1980-01-01

    In support of the DOE thermal and chemical energy storage program, the solar energy storage program (SERI) provides research on advanced technologies, systems analyses, and assessments of thermal energy storage for solar applications in support of the Thermal and Chemical Energy Storage Program of the DOE Division of Energy Storage Systems. Currently, research is in progress on direct contact latent heat storage and thermochemical energy storage and transport. Systems analyses are being performed of thermal energy storage for solar thermal applications, and surveys and assessments are being prepared of thermal energy storage in solar applications. A ranking methodology for comparing thermal storage systems (performance and cost) is presented. Research in latent heat storage and thermochemical storage and transport is reported.

  15. Comprehensive Auditing in Nuclear Medicine Through the International Atomic Energy Agency Quality Management Audits in Nuclear Medicine Program. Part 2: Analysis of Results.

    PubMed

    Dondi, Maurizio; Torres, Leonel; Marengo, Mario; Massardo, Teresa; Mishani, Eyal; Van Zyl Ellmann, Annare; Solanki, Kishor; Bischof Delaloye, Angelika; Lobato, Enrique Estrada; Miller, Rodolfo Nunez; Ordonez, Felix Barajas; Paez, Diana; Pascual, Thomas

    2017-11-01

    The International Atomic Energy Agency has developed a program, named Quality Management Audits in Nuclear Medicine (QUANUM), to help its Member States to check the status of their nuclear medicine practices and their adherence to international reference standards, covering all aspects of nuclear medicine, including quality assurance/quality control of instrumentation, radiopharmacy (further subdivided into levels 1, 2, and 3, according to complexity of work), radiation safety, clinical applications, as well as managerial aspects. The QUANUM program is based on both internal and external audits and, with specifically developed Excel spreadsheets, it helps assess the level of conformance (LoC) to those previously defined quality standards. According to their level of implementation, the level of conformance to requested standards; 0 (absent) up to 4 (full conformance). Items scored 0, 1, and 2 are considered non-conformance; items scored 3 and 4 are considered conformance. To assess results of the audit missions performed worldwide over the last 8 years, a retrospective analysis has been run on reports from a total of 42 audit missions in 39 centers, three of which had been re-audited. The analysis of all audit reports has shown an overall LoC of 73.9 ± 8.3% (mean ± standard deviation), ranging between 56.6% and 87.9%. The highest LoC has been found in the area of clinical services (83.7% for imaging and 87.9% for therapy), whereas the lowest levels have been found for Radiopharmacy Level 2 (56.6%); Computer Systems and Data Handling (66.6%); and Evaluation of the Quality Management System (67.6%). Prioritization of non-conformances produced a total of 1687 recommendations in the final audit report. Depending on the impact on safety and daily clinical activities, they were further classified as critical (requiring immediate action; n = 276; 16% of the total); major (requiring action in relatively short time, typically from 3 to 6 months; n = 604

  16. A sputtering derived atomic oxygen source for studying fast atom reactions

    NASA Technical Reports Server (NTRS)

    Ferrieri, Richard A.; Yung, Y. Chu; Wolf, Alfred P.

    1987-01-01

    A technique for the generation of fast atomic oxygen was developed. These atoms are created by ion beam sputtering from metal oxide surfaces. Mass resolved ion beams at energies up to 60 KeV are produced for this purpose using a 150 cm isotope separator. Studies have shown that particles sputtered with 40 KeV Ar(+) on Ta2O5 were dominantly neutral and exclusively atomic. The atomic oxygen also resided exclusively in its 3P ground state. The translational energy distribution for these atoms peaked at ca 7 eV (the metal-oxygen bond energy). Additional measurements on V2O5 yielded a bimodal distribution with the lower energy peak at ca 5 eV coinciding reasonably well with the metal-oxygen bond energy. The 7 eV source was used to investigate fast oxygen atom reactions with the 2-butene stereoisomers. Relative excitation functions for H-abstraction and pi-bond reaction were measured with trans-2-butene. The abstraction channel, although of minor relative importance at thermal energy, becomes comparable to the addition channel at 0.9 eV and dominates the high-energy regime. Structural effects on the specific channels were also found to be important at high energy.

  17. CONFERENCES AND SYMPOSIA: Microscopics of fluctuations of the energy of atoms in solids

    NASA Astrophysics Data System (ADS)

    Slutsker, A. I.; Mihailin, A. I.; Slutsker, I. A.

    1994-04-01

    Internal atomic-molecular vibrational dynamics of solids gives rise to short-lived localised states of atoms with a much higher energy or amplitude of vibrations, i.e., it gives rise to fluctuations. These fluctuations play the dominant role in a variety of physical processes, which include diffusion, evaporation, plastic deformation, highly elastic deformation of polymers, fracture, chemical reactions, electronic transi-tions, biological functions, and many others. The essentials of the fluctuation origin of these processes are given in the classical papers of Ya I Frenkel'. The microscopics of fluctuations of the energy of atoms has begun to develop successfully. The present paper provides a brief historical introduction, which is followed by the first results (obtained by computer simulation) that can account for the detailed characteristics of fluctuations: the lifetime of a fluctuation state of atoms, the size of a fluctuation region, and migration of fluctuations. Special attention is given to the mechanism of formation of energy fluctuations. Investigations of fluctuation dynamics in condensed media, regarded as a new and to some extent independent part of the physics of liquids and solids, have been given a decisive start by the fundamental work of Yakov Il'ich Frenkel'. He began his investigations back in the twenties and continued them with outstanding success throughout his life. The study reported below represents the attempt by the present authors to continue the development of the fruitful ideas of Yakov Il'ich.

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

    NASA Astrophysics Data System (ADS)

    Tian Yi, Zhang; Neng Wu, Zheng

    2009-08-01

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

  19. Benchmark quality total atomization energies of small polyatomic molecules

    NASA Astrophysics Data System (ADS)

    Martin, Jan M. L.; Taylor, Peter R.

    1997-05-01

    Successive coupled-cluster [CCSD(T)] calculations in basis sets of spdf, spdfg, and spdfgh quality, combined with separate Schwartz-type extrapolations A+B/(l+1/2)α of the self-consistent field (SCF) and correlation energies, permit the calculations of molecular total atomization energies (TAEs) with a mean absolute error of as low as 0.12 kcal/mol. For the largest molecule treated, C2H4, we find ∑D0=532.0 kcal/mol, in perfect agreement with experiment. The aug-cc-pV5Z basis set recovers on average about 99% of the valence correlation contribution to the TAE, and essentially the entire SCF contribution.

  20. Atomic complex: a worldwide political history of nuclear energy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Goldschmidt, B.

    The author presents a personal memoir of the effort to harness energy from the atom as well as telling the story of worldwide development, from its military use in the 1940s to its peaceful use of generating electricity in the world's 263 operating nuclear power plants. As a scientist turned statesman, Goldsmith reviews nearly half a century of worldwide political moves, countermoves, international intrigue, and manipulation. His perspective is portrayed against the personal backdrop of world leaders. Taking a pragmatic look at the nuclear world of today, he describes how the mistakes of the past set the tone for today'smore » nuclear problems. Goldsmith balances the terror due to nuclear weapons with the benefits nuclear energy can bring to an economically troubled and energy-starved population.« less

  1. 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

    ERIC Educational Resources Information Center

    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…

  2. Energy Programming for Buildings.

    ERIC Educational Resources Information Center

    Parshall, Steven; Diserens, Steven

    1982-01-01

    Programing is described as a process leading to an explicit statement of an architectural problem. The programing phase is seen as the most critical period in the delivery process in which energy analysis can have an impact on design. A programing method appropriate for standard architectural practice is provided. (MLW)

  3. Sharing success: State energy program special projects results

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    NONE

    2000-03-15

    The State Energy Program was created in 1996 by an act of Congress through the consolidation of the State Energy Conservation Program (SECP) and the Institutional Conservation Program (ICP). Formerly, SECP provided funding for a variety of energy efficiency and renewable energy projects, and ICP assisted schools and hospitals with technical analysis and installation of energy conservation measures. Through these programs, more than 8,000 specific State conservation projects have been implemented since 1983 and more than 69,000 buildings have been made more energy efficient since 1979. The Department of Energy's Office of Energy Efficiency and Renewable Energy recognized the valuemore » of delivering programs through the States and created Special Projects in 1996. This report is an overview of State Energy Program operations, strategic focus, activities and accomplishments.« less

  4. 13. Elevations, 233S, U.S. Atomic Energy Commission, Hanford Works, General ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    13. Elevations, 233-S, U.S. Atomic Energy Commission, Hanford Works, General Electric Company, Dwg. No. H-2-7203, 1956. - Reduction-Oxidation Complex, Plutonium Concentration Facility, 200 West Area, Richland, Benton County, WA

  5. Kinetic Energy Distribution of D(2p) Atoms From Analysis of the D Lyman-a Line Profile

    NASA Technical Reports Server (NTRS)

    Ciocca, Marco; Ajello, Joseph M.; Liu, Xianming; Maki, Justin

    1997-01-01

    The absolute cross sections of the line center (slow atoms) and wings (fast atoms) and total emission line profile were measured from threshold to 400 eV. Analytical model coeffiecients are given for the energy dependence of the measured slow atom cross section.

  6. Total School Energy Management Program.

    ERIC Educational Resources Information Center

    Energy Education Programs, Woodstock, IL.

    This energy management program is intended to give school administrators some ideas about how to get started in managing energy conservation. An Implementation Guide provides options and step-by-step approaches for marshaling resources and organizing to get a program off the ground. A Curriculum Review and Development Guide includes general…

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

    NASA Astrophysics Data System (ADS)

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

    2012-12-01

    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.

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

    PubMed

    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.

  9. Low energy electron-impact ionization of hydrogen atom for coplanar equal-energy-sharing kinematics in Debye plasmas

    NASA Astrophysics Data System (ADS)

    Li, Jun; Zhang, Song Bin; Ye, Bang Jiao; Wang, Jian Guo; Janev, R. K.

    2016-12-01

    Low energy electron-impact ionization of hydrogen atom in Debye plasmas has been investigated by employing the exterior complex scaling method. The interactions between the charged particles in the plasma have been represented by Debye-Hückel potentials. Triple differential cross sections (TDCS) in the coplanar equal-energy-sharing geometry at an incident energy of 15.6 eV for different screening lengths are reported. As the screening strength increases, TDCS change significantly. The evolutions of dominant typical peak structures of the TDCS are studied in detail for different screening lengths and for different coplanar equal-energy-sharing geometries.

  10. 12. General Arrangement Plan, Building 189D, U.S. Atomic Energy Commission, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    12. General Arrangement Plan, Building 189-D, U.S. Atomic Energy Commission, General Electric Company, Dwg. No. H-1-11068, 1958. - D-Reactor Complex, Deaeration Plant-Refrigeration Buildings, Area 100-D, Richland, Benton County, WA

  11. Collisional quenching of atoms and molecules on spacecraft thermal protection surfaces

    NASA Technical Reports Server (NTRS)

    Marinelli, W. J.; Green, B. D.

    1988-01-01

    Preliminary results of a research program to determine energy partitioning in spacecraft thermal protection materials due to atom recombination at the gas-surface interface are presented. The primary focus of the research is to understand the catalytic processes which determine heat loading on Shuttle, Aeroassisted OTV, and NASP thermal protection surfaces in nonequilibrium flight regimes. Highly sensitive laser diagnostics based on laser-induced fluorescence and resonantly-enhanced multiphoton ionization spectroscopy are used to detect atoms and metastable molecules. At low temperatures, a discharge flow reactor is employed to measure deactivation/recombination coefficients for O-atoms, N-atoms, and O2. Detection methods are presented for measuring O-atoms, O2 and N2, and results for deactivation of O2 and O-atoms on reaction-cured glass and Ni surfaces. Both atom recombination and metastable product formation are examined. Radio-frequency discharges are used to produce highly dissociated beams of atomic species at energies characteristic of the surface temperature. Auger electron spectroscopy is employed as a diagnostic of surface composition in order to accurately define and control measurement conditions.

  12. 76 FR 21109 - Rural Energy for America Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-14

    ...The Rural Business-Cooperative Service (Agency) is establishing an interim rule for the Rural Energy for America Program (REAP), which is authorized under the Food, Conservation, and Energy Act of 2008. This interim rule modifies the existing grant and guaranteed loan program for renewable energy systems and energy efficiency improvements. In addition, it adds a grant program for feasibility studies for renewable energy systems and a grant program for energy audits and renewable energy development assistance, as provided in the Food, Conservation, and Energy Act of 2008.

  13. Evaluation of the novel algorithm of flexible ligand docking with moveable target-protein atoms.

    PubMed

    Sulimov, Alexey V; Zheltkov, Dmitry A; Oferkin, Igor V; Kutov, Danil C; Katkova, Ekaterina V; Tyrtyshnikov, Eugene E; Sulimov, Vladimir B

    2017-01-01

    We present the novel docking algorithm based on the Tensor Train decomposition and the TT-Cross global optimization. The algorithm is applied to the docking problem with flexible ligand and moveable protein atoms. The energy of the protein-ligand complex is calculated in the frame of the MMFF94 force field in vacuum. The grid of precalculated energy potentials of probe ligand atoms in the field of the target protein atoms is not used. The energy of the protein-ligand complex for any given configuration is computed directly with the MMFF94 force field without any fitting parameters. The conformation space of the system coordinates is formed by translations and rotations of the ligand as a whole, by the ligand torsions and also by Cartesian coordinates of the selected target protein atoms. Mobility of protein and ligand atoms is taken into account in the docking process simultaneously and equally. The algorithm is realized in the novel parallel docking SOL-P program and results of its performance for a set of 30 protein-ligand complexes are presented. Dependence of the docking positioning accuracy is investigated as a function of parameters of the docking algorithm and the number of protein moveable atoms. It is shown that mobility of the protein atoms improves docking positioning accuracy. The SOL-P program is able to perform docking of a flexible ligand into the active site of the target protein with several dozens of protein moveable atoms: the native crystallized ligand pose is correctly found as the global energy minimum in the search space with 157 dimensions using 4700 CPU ∗ h at the Lomonosov supercomputer.

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

    PubMed

    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 <222> 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 <022>.This indicates that there are two ways for carbon atom to drift to the surface of the nanocluster.

  15. Low-energy electron scattering from atomic hydrogen. I. Ionization

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Childers, J.G.; James, K.E. Jr.; Bray, Igor

    2004-02-01

    Absolute doubly differential cross sections for the ionization of atomic hydrogen by electron impact have been measured at energies ranging from near threshold to intermediate values. The measurements are normalized to the accurate differential cross section for the electron-impact excitation of the H 1 {sup 2}S{yields}2 {sup 2}S+2 {sup 2}P transition. These measurements were made possible through the use of a moveable target source which enables the collection of hydrogen energy loss spectra free of all backgrounds. The measurements cover the incident electron energy range of 14.6-40 eV and scattering angles from 12 deg. to 127 deg., and are inmore » very good agreement with the results of the latest theoretical models--the convergent close-coupling model and the exterior complex scaling model.« less

  16. Comprehensive Auditing in Nuclear Medicine Through the International Atomic Energy Agency Quality Management Audits in Nuclear Medicine (QUANUM) Program. Part 1: the QUANUM Program and Methodology.

    PubMed

    Dondi, Maurizio; Torres, Leonel; Marengo, Mario; Massardo, Teresa; Mishani, Eyal; Van Zyl Ellmann, Annare; Solanki, Kishor; Bischof Delaloye, Angelika; Lobato, Enrique Estrada; Miller, Rodolfo Nunez; Paez, Diana; Pascual, Thomas

    2017-11-01

    An effective management system that integrates quality management is essential for a modern nuclear medicine practice. The Nuclear Medicine and Diagnostic Imaging Section of the International Atomic Energy Agency (IAEA) has the mission of supporting nuclear medicine practice in low- and middle-income countries and of helping them introduce it in their health-care system, when not yet present. The experience gathered over several years has shown diversified levels of development and varying degrees of quality of practice, among others because of limited professional networking and limited or no opportunities for exchange of experiences. Those findings triggered the development of a program named Quality Management Audits in Nuclear Medicine (QUANUM), aimed at improving the standards of NM practice in low- and middle-income countries to internationally accepted standards through the introduction of a culture of quality management and systematic auditing programs. QUANUM takes into account the diversity of nuclear medicine services around the world and multidisciplinary contributions to the practice. Those contributions include clinical, technical, radiopharmaceutical, and medical physics procedures. Aspects of radiation safety and patient protection are also integral to the process. Such an approach ensures consistency in providing safe services of superior quality to patients. The level of conformance is assessed using standards based on publications of the IAEA and the International Commission on Radiological Protection, and guidelines from scientific societies such as Society of Nuclear Medicine and Molecular Imaging (SNMMI) and European Association of Nuclear Medicine (EANM). Following QUANUM guidelines and by means of a specific assessment tool developed by the IAEA, auditors, both internal and external, will be able to evaluate the level of conformance. Nonconformances will then be prioritized and recommendations will be provided during an exit briefing. The

  17. Exploring a potential energy surface by machine learning for characterizing atomic transport

    NASA Astrophysics Data System (ADS)

    Kanamori, Kenta; Toyoura, Kazuaki; Honda, Junya; Hattori, Kazuki; Seko, Atsuto; Karasuyama, Masayuki; Shitara, Kazuki; Shiga, Motoki; Kuwabara, Akihide; Takeuchi, Ichiro

    2018-03-01

    We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Gaussian process model of the PES, which enables defining the likelihood of the dominant points. The robustness and efficiency of the method are demonstrated on a dozen model cases for proton diffusion in oxides, in comparison with a conventional nudge elastic band method.

  18. State Energy Program Fact Sheet

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    2018-02-01

    The U.S. Department of Energy’s State Energy Program (SEP) provides funding and technical assistance to states, territories, and the District of Columbia to enhance energy security, advance state-led energy initiatives, and maximize the benefits of decreasing energy waste.

  19. Polarized electron beams elastically scattered by atoms as a tool for testing fundamental predictions of quantum mechanics.

    PubMed

    Dapor, Maurizio

    2018-03-29

    Quantum information theory deals with quantum noise in order to protect physical quantum bits (qubits) from its effects. A single electron is an emblematic example of a qubit, and today it is possible to experimentally produce polarized ensembles of electrons. In this paper, the theory of the polarization of electron beams elastically scattered by atoms is briefly summarized. Then the POLARe program suite, a set of computer programs aimed at the calculation of the spin-polarization parameters of electron beams elastically interacting with atomic targets, is described. Selected results of the program concerning Ar, Kr, and Xe atoms are presented together with the comparison with experimental data about the Sherman function for low kinetic energy of the incident electrons (1.5eV-350eV). It is demonstrated that the quantum-relativistic theory of the polarization of electron beams elastically scattered by atoms is in good agreement with experimental data down to energies smaller than a few eV.

  20. Energy Efficiency Program Administrators and Building Energy Codes

    EPA Pesticide Factsheets

    Explore how energy efficiency program administrators have helped advance building energy codes at federal, state, and local levels—using technical, institutional, financial, and other resources—and discusses potential next steps.

  1. Calculated gadolinium atomic electron energy levels and Auger electron emission probability as a function of atomic number Z

    NASA Astrophysics Data System (ADS)

    Miloshevsky, G. V.; Tolkach, V. I.; Shani, Gad; Rozin, Semion

    2002-06-01

    Auger electron interaction with matter is gaining importance in particular in medical application of radiation. The production probability and energy spectrum is therefore of great importance. A good source of Auger electrons is the 157Gd(n,γ) 158Gd reaction. The present article describes calculations of electron levels in Gd atoms and provides missing data of outer electron energy levels. The energy of these electron levels missing in published tables, was found to be in the 23-24 and 6-7 eV energy ranges respectively. The probability of Auger emission was calculated as an interaction of wave function of the initial and final electron states. The wave functions were calculated using the Hartree-Fock-Slater approximation with relativistic correction. The equations were solved using a spherical symmetry potential. The error for inner shell level is less than 10%, it is increased to the order of 10-15% for the outer shells. The width of the Auger process changes from 0.1 to 1.2 eV for atomic number Z from 5 to 70. The fluorescence yield width changes five orders of magnitude in this range. Auger electron emission width from the K shell changes from 10 -2 to ˜1 eV with Z changing from 10 to 64, depending on the final state. For the L shell it changes from 0 to 0.25 when it Z changes from 20 to 64.

  2. 10 CFR 8.1 - Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 1 2012-01-01 2012-01-01 false Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel. 8.1 Section 8.1 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.1 Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General...

  3. 10 CFR 8.1 - Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel. 8.1 Section 8.1 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.1 Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General...

  4. 10 CFR 8.1 - Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 1 2011-01-01 2011-01-01 false Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General Counsel. 8.1 Section 8.1 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.1 Interpretation of section 152 of the Atomic Energy Act of 1954; opinion of the General...

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

    NASA Astrophysics Data System (ADS)

    Cancio, Antonio C.; Redd, Jeremy J.

    2017-03-01

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

  6. Laser sustained discharge nozzle apparatus for the production of an intense beam of high kinetic energy atomic species

    DOEpatents

    Cross, Jon B.; Cremers, David A.

    1988-01-01

    Laser sustained discharge apparatus for the production of intense beams of high kinetic energy atomic species. A portion of the plasma resulting from a laser sustained continuous optical discharge which generates energetic atomic species from a gaseous source thereof is expanded through a nozzle into a region of low pressure. The expanded plasma contains a significant concentration of the high kinetic energy atomic species which may be used to investigate the interaction of surfaces therewith. In particular, O-atoms having velocities in excess of 3.5 km/s can be generated for the purpose of studying their interaction with materials in order to develop protective materials for spacecraft which are exposed to such energetic O-atoms during operation in low earth orbit.

  7. Laser sustained discharge nozzle apparatus for the production of an intense beam of high kinetic energy atomic species

    DOEpatents

    Cross, J.B.; Cremers, D.A.

    1986-01-10

    Laser sustained discharge apparatus for the production of intense beams of high kinetic energy atomic species is described. A portion of the plasma resulting from a laser sustained continuous optical discharge which generates energetic atomic species from a gaseous source thereof is expanded through a nozzle into a region of low pressure. The expanded plasma contains a significant concentration of the high kinetic energy atomic species which may be used to investigate the interaction of surfaces therewith. In particular, O-atoms having velocities in excess of 3.5 km/s can be generated for the purpose of studying their interaction with materials in order to develop protective materials for spacecraft which are exposed to such energetic O-atoms during operation in low earth orbit.

  8. Interactions of satellite-speed helium atoms with satellite surfaces. 3: Drag coefficients from spatial and energy distributions of reflected helium atoms

    NASA Technical Reports Server (NTRS)

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

    1977-01-01

    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.

  9. Probing the effect of electron channelling on atomic resolution energy dispersive X-ray quantification.

    PubMed

    MacArthur, Katherine E; Brown, Hamish G; Findlay, Scott D; Allen, Leslie J

    2017-11-01

    Advances in microscope stability, aberration correction and detector design now make it readily possible to achieve atomic resolution energy dispersive X-ray mapping for dose resilient samples. These maps show impressive atomic-scale qualitative detail as to where the elements reside within a given sample. Unfortunately, while electron channelling is exploited to provide atomic resolution data, this very process makes the images rather more complex to interpret quantitatively than if no electron channelling occurred. Here we propose small sample tilt as a means for suppressing channelling and improving quantification of composition, whilst maintaining atomic-scale resolution. Only by knowing composition and thickness of the sample is it possible to determine the atomic configuration within each column. The effects of neighbouring atomic columns with differing composition and of residual channelling on our ability to extract exact column-by-column composition are also discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Seasonal Thermal Energy Storage Program

    NASA Technical Reports Server (NTRS)

    Minor, J. E.

    1980-01-01

    The Seasonal Thermal Energy Storage (STES) Program designed to demonstrate the storage and retrieval of energy on a seasonal basis using heat or cold available from waste or other sources during a surplus period is described. Factors considered include reduction of peak period demand and electric utility load problems and establishment of favorable economics for district heating and cooling systems for commercialization of the technology. The initial thrust of the STES Program toward utilization of ground water systems (aquifers) for thermal energy storage is emphasized.

  11. A new approach to entangling neutral atoms.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lee, Jongmin; Martin, Michael J.; Jau, Yuan-Yu

    2016-11-01

    Our team has developed a new approach to entangling neutral atoms with a Rydberg-dressed interaction. Entangling neutral atoms is an essential key of quantum technologies such as quantum computation, many-body quantum simulation, and high-precision atomic sensors . The demonstrated Rydberg-dressed protocol involves adiabatically imposing a light shift on the ground state by coupling an excited Rydberg state with a tuned laser field. Using this technique, we have demonstrated a strong and tunable dipole - dipole interaction between two individually trapped atoms with energy shifts of order 1 MHz, which has been challenging to achieve in other protocols . During thismore » program, we experimentally demonstrated Bell-state entanglement and the isomorphism to the Jaynes - Cumming model of a Rydberg-dressed two-atom system. Our theoretical calculations of a CPHASE quantum logic gate and arbitrary Dicke state quantum control in this system encourage further work.« less

  12. Computer Model Of Fragmentation Of Atomic Nuclei

    NASA Technical Reports Server (NTRS)

    Wilson, John W.; Townsend, Lawrence W.; Tripathi, Ram K.; Norbury, John W.; KHAN FERDOUS; Badavi, Francis F.

    1995-01-01

    High Charge and Energy Semiempirical Nuclear Fragmentation Model (HZEFRG1) computer program developed to be computationally efficient, user-friendly, physics-based program for generating data bases on fragmentation of atomic nuclei. Data bases generated used in calculations pertaining to such radiation-transport applications as shielding against radiation in outer space, radiation dosimetry in outer space, cancer therapy in laboratories with beams of heavy ions, and simulation studies for designing detectors for experiments in nuclear physics. Provides cross sections for production of individual elements and isotopes in breakups of high-energy heavy ions by combined nuclear and Coulomb fields of interacting nuclei. Written in ANSI FORTRAN 77.

  13. Fossil Energy Program

    NASA Astrophysics Data System (ADS)

    McNeese, L. E.

    1981-01-01

    Increased utilization of coal and other fossil fuel alternatives as sources of clean energy is reported. The following topics are discussed: coal conversion development, chemical research and development, materials technology, component development and process evaluation studies, technical support to major liquefaction projects, process analysis and engineering evaluations, fossil energy environmental analysis, flue gas desulfurization, solid waste disposal, coal preparation waste utilization, plant control development, atmospheric fluidized bed coal combustor for cogeneration, TVA FBC demonstration plant program technical support, PFBC systems analysis, fossil fuel applications assessments, performance assurance system support for fossil energy projects, international energy technology assessment, and general equilibrium models of liquid and gaseous fuel supplies.

  14. The two-electron atomic systems. S-states

    NASA Astrophysics Data System (ADS)

    Liverts, Evgeny Z.; Barnea, Nir

    2010-01-01

    A simple Mathematica program for computing the S-state energies and wave functions of two-electron (helium-like) atoms (ions) is presented. The well-known method of projecting the Schrödinger equation onto the finite subspace of basis functions was applied. The basis functions are composed of the exponentials combined with integer powers of the simplest perimetric coordinates. No special subroutines were used, only built-in objects supported by Mathematica. The accuracy of results and computation time depend on the basis size. The precise energy values of 7-8 significant figures along with the corresponding wave functions can be computed on a single processor within a few minutes. The resultant wave functions have a simple analytical form consisting of elementary functions, that enables one to calculate the expectation values of arbitrary physical operators without any difficulties. Program summaryProgram title: TwoElAtom-S Catalogue identifier: AEFK_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFK_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.: 10 185 No. of bytes in distributed program, including test data, etc.: 495 164 Distribution format: tar.gz Programming language: Mathematica 6.0; 7.0 Computer: Any PC Operating system: Any which supports Mathematica; tested under Microsoft Windows XP and Linux SUSE 11.0 RAM:⩾10 bytes Classification: 2.1, 2.2, 2.7, 2.9 Nature of problem: The Schrödinger equation for atoms (ions) with more than one electron has not been solved analytically. Approximate methods must be applied in order to obtain the wave functions or other physical attributes from quantum mechanical calculations. Solution method: The S-wave function is expanded into a triple basis set in three perimetric coordinates. Method of projecting the

  15. Energy consumption program: A computer model simulating energy loads in buildings

    NASA Technical Reports Server (NTRS)

    Stoller, F. W.; Lansing, F. L.; Chai, V. W.; Higgins, S.

    1978-01-01

    The JPL energy consumption computer program developed as a useful tool in the on-going building modification studies in the DSN energy conservation project is described. The program simulates building heating and cooling loads and computes thermal and electric energy consumption and cost. The accuracy of computations are not sacrificed, however, since the results lie within + or - 10 percent margin compared to those read from energy meters. The program is carefully structured to reduce both user's time and running cost by asking minimum information from the user and reducing many internal time-consuming computational loops. Many unique features were added to handle two-level electronics control rooms not found in any other program.

  16. History of the United States Atomic Energy Commission. Volume I. 1939 / 1946, The New World

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hewlett, Richard G.; Anderson, Jr., Oscar E.

    1962-01-01

    Sponsored by the Historical Advisory Committee of the Atomic Energy Commission (AEC), this 2-volume series provides an unclassified history of the AEC. This volume is subtitled ''The New World'' and covers the AEC from 1939 through 1946. Volume II, is subtitled ''Atomic Shield'' and covers the years 1947 through 1952.

  17. Information Exchange of the Atomic Energy Society of Japan with Nuclear Societies Worldwide

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Masao Hori; Yasushi Tomita

    2000-06-04

    This paper describes committees of the Atomic Energy Society of Japan (AESJ) related to information exchange, AESJ publications, AESJ Internet applications, and means for future information exchange between nuclear societies.

  18. The Manhattan Project: Making the Atomic Bomb. 2010 edition.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gosling, F. G.

    This historical document is part of a planned 3-volume series. This volume, volume 1, provides a short history of the origins and development of the American atomic bomb program during World War II. Beginning with the scientific developments of the pre-war years, the monograph details the role of the United States government in conducting a secret, nationwide enterprise that took science from the laboratory and into combat with an entirely new type of weapon. The monograph concludes with a discussion of the immediate postwar period, the debate over the Atomic Energy Act of 1946, and the founding of the Atomicmore » Energy Commission.« less

  19. A Simple Approach for the Calculation of Energy Levels of Light Atoms

    ERIC Educational Resources Information Center

    Woodyard, Jack R., Sr.

    1972-01-01

    Describes a method for direct calculation of energy levels by using elementary techniques. Describes the limitations of the approach but also claims that with a minimum amount of labor a student can get greater understanding of atomic physics problems. (PS)

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

    NASA Technical Reports Server (NTRS)

    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.

  1. "Bohr's Atomic Model."

    ERIC Educational Resources Information Center

    Willden, Jeff

    2001-01-01

    "Bohr's Atomic Model" is a small interactive multimedia program that introduces the viewer to a simplified model of the atom. This interactive simulation lets students build an atom using an atomic construction set. The underlying design methodology for "Bohr's Atomic Model" is model-centered instruction, which means the central model of the…

  2. NET-ZERO ENERGY BUILDING OPERATOR TRAINING PROGRAM (NZEBOT)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brizendine, Anthony; Byars, Nan; Sleiti, Ahmad

    2012-12-31

    The primary objective of the Net-Zero Energy Building Operator Training Program (NZEBOT) was to develop certificate level training programs for commercial building owners, managers and operators, principally in the areas of energy / sustainability management. The expected outcome of the project was a multi-faceted mechanism for developing the skill-based competency of building operators, owners, architects/engineers, construction professionals, tenants, brokers and other interested groups in energy efficient building technologies and best practices. The training program draws heavily on DOE supported and developed materials available in the existing literature, as well as existing, modified, and newly developed curricula from the Department ofmore » Engineering Technology & Construction Management (ETCM) at the University of North Carolina at Charlotte (UNC-Charlotte). The project goal is to develop a certificate level training curriculum for commercial energy and sustainability managers and building operators that: 1) Increases the skill-based competency of building professionals in energy efficient building technologies and best practices, and 2) Increases the workforce pool of expertise in energy management and conservation techniques. The curriculum developed in this project can subsequently be used to establish a sustainable energy training program that can contribute to the creation of new “green” job opportunities in North Carolina and throughout the Southeast region, and workforce training that leads to overall reductions in commercial building energy consumption. Three energy training / education programs were developed to achieve the stated goal, namely: 1. Building Energy/Sustainability Management (BESM) Certificate Program for Building Managers and Operators (40 hours); 2. Energy Efficient Building Technologies (EEBT) Certificate Program (16 hours); and 3. Energy Efficent Buildings (EEB) Seminar (4 hours). Training Program 1 incorporates the

  3. ELSEPA—Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules

    NASA Astrophysics Data System (ADS)

    Salvat, Francesc; Jablonski, Aleksander; Powell, Cedric J.

    2005-01-01

    -103) obtained from multiconfiguration Dirac-Fock self-consistent calculations. For comparison purposes, three simple analytical approximations to the electron density of neutral atoms (corresponding to the Thomas-Fermi, the Thomas-Fermi-Dirac and the Dirac-Hartree-Fock-Slater models) are also included. For calculations of elastic scattering by ions, the electron density should be provided by the user. The exchange potential for electron scattering can be selected among three different analytical approximations (Thomas-Fermi, Furness-McCarthy, Riley-Truhlar). The offered options for the correlation-polarization potential are based on the empirical Buckingham potential. The imaginary absorption potential is calculated from the local-density approximation proposed by Salvat [Phys. Rev. A 68 (2003) 012708]. Program summaryTitle of program:ELSEPA Catalogue identifier: ADUS Program summary URL:http://cpc.cs.qub.ac.uk/cpc/summaries/ADUS Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland License provisions: none Computer for which the program is designed and others in which it is operable: Any computer with a FORTRAN 77 compiler Operating systems under which the program has been tested: Windows XP, Windows 2000, Debian GNU/Linux 3.0r0 (sarge) Compilers:Compaq Visual Fortran v6.5 (Windows); GNU FORTRAN, g77 (Windows and Linux) Programming language used: FORTRAN 77 No. of bits in a word: 32 Memory required to execute with typical data: 0.6 Mb No. of lines in distributed program, including test data, etc.:135 489 No. of bytes in distributed program, including test data, etc.: 1 280 006 Distribution format: tar.gz Keywords: Dirac partial-wave analysis, electron elastic scattering, positron elastic scattering, differential cross sections, momentum transfer cross sections, transport cross sections, scattering amplitudes, spin polarization, scattering by complex potentials, high-energy atomic screening functions Nature of the physical problem: The code

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

    PubMed

    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 C 2 molecule.

  5. Ocean energy program summary. Volume 2: Research summaries

    NASA Astrophysics Data System (ADS)

    1990-01-01

    The oceans are the world's largest solar energy collector and storage system. Covering 71 percent of the earth's surface, this stored energy is realized as waves, currents, and thermal salinity gradients. The purpose of the Federal Ocean Energy Technology (OET) Program is to develop techniques that harness this ocean energy in a cost effective and environmentally acceptable manner. The OET Program seeks to develop ocean energy technology to a point where the commercial sector can assess whether applications of the technology are viable energy conversion alternatives or supplements to systems. Past studies conducted by the U.S. Department of Energy (DOE) have identified ocean thermal energy conversion (OTEC) as the largest potential contributor to United States energy supplies from the ocean resource. As a result, the OET Program concentrates on research to advance OTEC technology. Current program emphasis has shifted to open-cycle OTEC power system research because the closed-cycle OTEC system is at a more advanced stage of development and has already attracted industrial interest. During FY 1989, the OET Program focused primarily on the technical uncertainties associated with near-shore open-cycle OTEC systems ranging in size from 2 to 15 MW(sub e). Activities were performed under three major program elements: thermodynamic research and analysis, experimental verification and testing, and materials and structures research. These efforts addressed a variety of technical problems whose resolution is crucial to demonstrating the viability of open-cycle OTEC technology. This publications is one of a series of documents on the Renewable Energy programs sponsored by the U.S. Department of Energy. An overview of all the programs is available, entitled Programs in Renewable Energy.

  6. On the atomic-number similarity of the binding energies of electrons in filled shells of elements of the periodic table

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Karpov, V. Ya.; Shpatakovskaya, G. V., E-mail: shpagalya@yandex.ru

    An expression for the binding energies of electrons in the ground state of an atom is derived on the basis of the Bohr–Sommerfeld quantization rule within the Thomas–Fermi model. The validity of this relation for all elements from neon to uranium is tested within a more perfect quantum-mechanical model with and without the inclusion of relativistic effects, as well as with experimental binding energies. As a result, the ordering of electronic levels in filled atomic shells is established, manifested in an approximate atomic-number similarity. It is proposed to use this scaling property to analytically estimate the binding energies of electronsmore » in an arbitrary atom.« less

  7. Energy Program Updates Existing Schools

    ERIC Educational Resources Information Center

    American School and University, 1976

    1976-01-01

    Herricks Public School District has adopted an energy conservation program that establishes an energy consumption baseline and makes recommendations to modify systems and operational procedures. (Author/MLF)

  8. Energy Conversion and Storage Program

    NASA Astrophysics Data System (ADS)

    Cairns, E. J.

    1993-06-01

    This report is the 1992 annual progress report for the Energy Conversion and Storage Program, a part of the Energy and Environment Division of the Lawrence Berkeley Laboratory. Work described falls into three broad areas: electrochemistry; chemical applications; and materials applications. The Energy Conversion and Storage Program applies principles of chemistry and materials science to solve problems in several areas: (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes and chemical species, and (5) study and application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Chemical applications research includes topics such as separations, catalysis, fuels, and chemical analyses. Included in this program area are projects to develop improved, energy-efficient methods for processing product and waste streams from synfuel plants, coal gasifiers, and biomass conversion processes. Materials applications research includes evaluation of the properties of advanced materials, as well as development of novel preparation techniques. For example, techniques such as sputtering, laser ablation, and poised laser deposition are being used to produce high-temperature superconducting films.

  9. Index to the Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

    The topics covered by 47 booklets in the series are indexed. Page references are not given, but the booklet covering each topic is indicated by a code explained in the first two pages of the index. A brief account of the educational services program of the Atomic Energy Commission describing the booklets, films, and other services provided for…

  10. Adsorption Energies of Carbon, Nitrogen, and Oxygen Atoms on the Low-temperature Amorphous Water Ice: A Systematic Estimation from Quantum Chemistry Calculations

    NASA Astrophysics Data System (ADS)

    Shimonishi, Takashi; Nakatani, Naoki; Furuya, Kenji; Hama, Tetsuya

    2018-03-01

    We propose a new simple computational model to estimate the adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of carbon (3 P), nitrogen (4 S), and oxygen (3 P) atoms based on quantum chemistry calculations. The adsorption energies were estimated to be 14,100 ± 420 K for carbon, 400 ± 30 K for nitrogen, and 1440 ± 160 K for oxygen. The adsorption energy of oxygen is consistent with experimentally reported values. We found that the binding of a nitrogen atom is purely physisorption, while that of a carbon atom is chemisorption, in which a chemical bond to an O atom of a water molecule is formed. That of an oxygen atom has a dual character, with both physisorption and chemisorption. The chemisorption of atomic carbon also implies the possibility of further chemical reactions to produce molecules bearing a C–O bond, though this may hinder the formation of methane on water ice via sequential hydrogenation of carbon atoms. These properties would have a large impact on the chemical evolution of carbon species in interstellar environments. We also investigated the effects of newly calculated adsorption energies on the chemical compositions of cold dense molecular clouds with the aid of gas-ice astrochemical simulations. We found that abundances of major nitrogen-bearing molecules, such as N2 and NH3, are significantly altered by applying the calculated adsorption energy, because nitrogen atoms can thermally diffuse on surfaces, even at 10 K.

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

    NASA Technical Reports Server (NTRS)

    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. 76 FR 77561 - Atomic Safety and Licensing Board; In the Matter of Progress Energy Florida, Inc.; (Levy County...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-13

    ...] Atomic Safety and Licensing Board; In the Matter of Progress Energy Florida, Inc.; (Levy County Nuclear... Statements) This Atomic Safety and Licensing Board hereby gives notice that it will accept oral or written..., Inc.; Establishment of Atomic Safety and Licensing Board, 74 FR 9113 (Mar. 2, 2009) (ADAMS Accession...

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

    NASA Astrophysics Data System (ADS)

    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.

  14. Electronegativity determination of individual surface atoms by atomic force microscopy.

    PubMed

    Onoda, Jo; Ondráček, Martin; Jelínek, Pavel; Sugimoto, Yoshiaki

    2017-04-26

    Electronegativity is a fundamental concept in chemistry. Despite its importance, the experimental determination has been limited only to ensemble-averaged techniques. Here, we report a methodology to evaluate the electronegativity of individual surface atoms by atomic force microscopy. By measuring bond energies on the surface atoms using different tips, we find characteristic linear relations between the bond energies of different chemical species. We show that the linear relation can be rationalized by Pauling's equation for polar covalent bonds. This opens the possibility to characterize the electronegativity of individual surface atoms. Moreover, we demonstrate that the method is sensitive to variation of the electronegativity of given atomic species on a surface due to different chemical environments. Our findings open up ways of analysing surface chemical reactivity at the atomic scale.

  15. Electronegativity determination of individual surface atoms by atomic force microscopy

    PubMed Central

    Onoda, Jo; Ondráček, Martin; Jelínek, Pavel; Sugimoto, Yoshiaki

    2017-01-01

    Electronegativity is a fundamental concept in chemistry. Despite its importance, the experimental determination has been limited only to ensemble-averaged techniques. Here, we report a methodology to evaluate the electronegativity of individual surface atoms by atomic force microscopy. By measuring bond energies on the surface atoms using different tips, we find characteristic linear relations between the bond energies of different chemical species. We show that the linear relation can be rationalized by Pauling's equation for polar covalent bonds. This opens the possibility to characterize the electronegativity of individual surface atoms. Moreover, we demonstrate that the method is sensitive to variation of the electronegativity of given atomic species on a surface due to different chemical environments. Our findings open up ways of analysing surface chemical reactivity at the atomic scale. PMID:28443645

  16. Effects of laser radiation field on energies of hydrogen atom in plasmas

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bahar, M. K., E-mail: mussiv58@gmail.com

    2015-09-15

    In this study, for the first time, the Schrödinger equation with more general exponential cosine screened Coulomb (MGECSC) potential is solved numerically in the presence of laser radiation field within the Ehlotzky approximation using the asymptotic iteration method. The MGECSC potential includes four different potential forms in consideration of different sets of the parameters in the potential. By applying laser field, the total interaction potential of hydrogen atom embedded in plasmas converts to double well-type potential. The plasma screening effects under the influence of laser field as well as confinement effects of laser field on hydrogen atom in Debye andmore » quantum plasmas are investigated by solving the Schrödinger equation with the laser-dressed MGECSC potential. It is resulted that since applying a monochromatic laser field on hydrogen atom embedded in a Debye and quantum plasma causes to shift in the profile of the total interaction potential, the confinement effects of laser field on hydrogen atom in plasmas modeled by the MGECSC potential change localizations of energy states.« less

  17. Low cost estimation of the contribution of post-CCSD excitations to the total atomization energy using density functional theory calculations

    NASA Astrophysics Data System (ADS)

    Sánchez, H. R.; Pis Diez, R.

    2016-04-01

    Based on the Aλ diagnostic for multireference effects recently proposed [U.R. Fogueri, S. Kozuch, A. Karton, J.M. Martin, Theor. Chem. Acc. 132 (2013) 1], a simple method for improving total atomization energies and reaction energies calculated at the CCSD level of theory is proposed. The method requires a CCSD calculation and two additional density functional theory calculations for the molecule. Two sets containing 139 and 51 molecules are used as training and validation sets, respectively, for total atomization energies. An appreciable decrease in the mean absolute error from 7-10 kcal mol-1 for CCSD to about 2 kcal mol-1 for the present method is observed. The present method provides atomization energies and reaction energies that compare favorably with relatively recent scaled CCSD methods.

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

    NASA Astrophysics Data System (ADS)

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

    2018-06-01

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

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.

    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 non-bonded juxtaposed quasi-atoms andmore » 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. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

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

    DOE PAGES

    West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.; ...

    2017-01-30

    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 non-bonded juxtaposed quasi-atoms andmore » 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. Lastly, the theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.« less

  1. The NASA Aircraft Energy Efficiency Program

    NASA Technical Reports Server (NTRS)

    Klineberg, J. M.

    1978-01-01

    The objective of the NASA Aircraft Energy Efficiency Program is to accelerate the development of advanced technology for more energy-efficient subsonic transport aircraft. This program will have application to current transport derivatives in the early 1980s and to all-new aircraft of the late 1980s and early 1990s. Six major technology projects were defined that could result in fuel savings in commercial aircraft: (1) Engine Component Improvement, (2) Energy Efficient Engine, (3) Advanced Turboprops, (4) Energy Efficiency Transport (aerodynamically speaking), (5) Laminar Flow Control, and (6) Composite Primary Structures.

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

    PubMed

    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).

  3. International Atomic Energy Agency Safeguards: Challenge and response

    NASA Astrophysics Data System (ADS)

    Spector, Leonard S.

    2017-11-01

    This article provides a critical review of the nuclear accounting and inspection system of the International Atomic Energy Agency (IAEA), known as "IAEA safeguards." The article focuses on the multiple challenges the Agency confronts in verifying that all nuclear activities in the countries under its safeguards system are being pursued for exclusively peaceful purposes. The principal challenges noted are those posed by: undeclared facilities, the development of enrichment and reprocessing capabilities, illicit procurement activities, denial of inspector access, difficulties in verifying absence of weaponization activities, and difficulties in establishing that all nuclear-relevant activities in a state are peaceful. The article is in the form of annotated PowerPoint briefing slides.

  4. Fossil energy program

    NASA Astrophysics Data System (ADS)

    McNeese, L. E.

    1981-12-01

    The progress made during the period from July 1 through September 30 for the Oak Ridge National Laboratory research and development projects in support of the increased utilization of coal and other fossil fuels as sources of clean energy is reported. The following topics are discussed: coal conversion development, chemical research and development, materials technology, fossil energy materials program, liquefaction projects, component development, process analysis, environmental control technology, atmospheric fluidized bed combustion, underground coal gasification, coal preparation and waste utilization.

  5. Electron capture in collisions of Al2+ ions with He atoms at intermediate energies

    NASA Astrophysics Data System (ADS)

    Watanabe, A.; Sato, H.; Gu, J. P.; Hirsch, G.; Buenker, R. J.; Kimura, M.

    2001-09-01

    Electron capture resulting from collisions of Al2+ ions with He atoms from 0.15 to 1000 keV/u is investigated using a molecular-orbital representation within a semiclassical frame. Molecular electronic states and corresponding couplings are determined by the ALCHEMY program. Sixteen molecular states all connecting to single-electron-capture processes are included, and hence radial and rotational couplings among these channels are fully considered. The trajectory effect arising from the straight-line, Coulomb, and ground-state potential trajectories for electron-capture and excitation processes is carefully assessed. The electron-capture cross section by ground-state Al2+(2S) ions slowly increases before it reaches a maximum of 1.3×10-16 cm2 at 100 keV/u. Those for metastable Al2+(2P) ions sharply increase with increasing energy, and reach a peak at 1 keV/u with a value of 1.5×10-16 cm2. The earlier experimental data are found to be larger by an order of magnitude although their energy dependence is in good accord with the present result. Excitation cross sections for both the ground and metastable states are found to be much larger by a factor of 2-3 than corresponding capture cross sections above 1 keV/u although they become comparable below this energy.

  6. Solar energy program evaluation: an introduction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    deLeon, P.

    The Program Evaluation Methodology provides an overview of the practice and methodology of program evaluation and defines more precisely the evaluation techniques and methodologies that would be most appropriate to government organizations which are actively involved in the research, development, and commercialization of solar energy systems. Formal evaluation cannot be treated as a single methodological approach for assessing a program. There are four basic types of evaluation designs - the pre-experimental design; the quasi-experimental design based on time series; the quasi-experimental design based on comparison groups; and the true experimental design. This report is organized to first introduce the rolemore » and issues of evaluation. This is to provide a set of issues to organize the subsequent sections detailing the national solar energy programs. Then, these two themes are integrated by examining the evaluation strategies and methodologies tailored to fit the particular needs of the various individual solar energy programs. (MCW)« less

  7. Potential Energy Curves and Collisions Integrals of Air Components. 2; Interactions Involving Ionized Atoms

    NASA Technical Reports Server (NTRS)

    Stallcop, James R.; Partridge, Harry; Levin, Eugene; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Collision integrals are fundamental quantities required to determine the transport properties of the environment surrounding aerospace vehicles in the upper atmosphere. These collision integrals can be determined as a function of temperature from the potential energy curves describing the atomic and molecular collisions. Ab initio calculations provide a practical method of computing the required interaction potentials. In this work we will discuss recent advances in scattering calculations with an emphasis on the accuracy that is obtainable. Results for interactions of the atoms and ionized atoms of nitrogen and oxygen will be reviewed and their application to the determination of transport properties, such as diffusion and viscosity coefficients, will be examined.

  8. Studies on mass energy-absorption coefficients and effective atomic energy-absorption cross sections for carbohydrates

    NASA Astrophysics Data System (ADS)

    Ladhaf, Bibifatima M.; Pawar, Pravina P.

    2015-04-01

    We measured here the mass attenuation coefficients (μ/ρ) of carbohydrates, Esculine (C15H16O9), Sucrose (C12H22O11), Sorbitol (C6H14O6), D-Galactose (C6H12O6), Inositol (C6H12O6), D-Xylose (C5H10O5) covering the energy range from 122 keV up to 1330 keV photon energies by using gamma ray transmission method in a narrow beam good geometry set-up. The gamma-rays were detected using NaI(Tl) scintillation detection system with a resolution of 8.2% at 662 keV. The attenuation coefficient data were then used to obtain the total attenuation cross-section (σtot), molar extinction coefficients (ε), mass-energy absorption coefficients (μen/ρ) and effective (average) atomic energy-absorption cross section (σa,en) of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data.

  9. Enhancing light-atom interactions via atomic bunching

    NASA Astrophysics Data System (ADS)

    Schmittberger, Bonnie L.; Gauthier, Daniel J.

    2014-07-01

    There is a broad interest in enhancing the strength of light-atom interactions to the point where injecting a single photon induces a nonlinear material response. Here we show theoretically that sub-Doppler-cooled two-level atoms that are spatially organized by weak optical fields give rise to a nonlinear material response that is greatly enhanced beyond that attainable in a homogeneous gas. Specifically, in the regime where the intensity of the applied optical fields is much less than the off-resonance saturation intensity, we show that the third-order nonlinear susceptibility scales inversely with atomic temperature and, due to this scaling, can be two orders of magnitude larger than that of a homogeneous gas for typical experimental parameters. As a result, we predict that spatially bunched two-level atoms can exhibit single-photon nonlinearities. Our model is valid for all regimes of atomic bunching and simultaneously accounts for the backaction of the atoms on the optical fields. Our results agree with previous theoretical and experimental results for light-atom interactions that have considered only limited regimes of atomic bunching. For lattice beams tuned to the low-frequency side of the atomic transition, we find that the nonlinearity transitions from a self-focusing type to a self-defocusing type at a critical intensity. We also show that higher than third-order nonlinear optical susceptibilities are significant in the regime where the dipole potential energy is on the order of the atomic thermal energy. We therefore find that it is crucial to retain high-order nonlinearities to accurately predict interactions of laser fields with spatially organized ultracold atoms. The model presented here is a foundation for modeling low-light-level nonlinear optical processes for ultracold atoms in optical lattices.

  10. Transportation Energy Efficiency Program (TEEP) Report Abstracts

    DOT National Transportation Integrated Search

    1977-04-15

    This bibliography summarizes the published research accomplished for the Department of Transportation's Transportation Energy Efficiency Program and its predecessor, the Automotive Energy Efficiency Program. The reports are indexed by corporate autho...

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

    PubMed

    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.

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

    PubMed Central

    2016-01-01

    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. PMID:27840793

  13. Low-energy charge transfer for collisions of Si3+ with atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Bruhns, H.; Kreckel, H.; Savin, D. W.; Seely, D. G.; Havener, C. C.

    2008-06-01

    Cross sections of charge transfer for Si3+ ions with atomic hydrogen at collision energies of ≈40-2500eV/u were carried out using a merged-beam technique at the Multicharged Ion Research Facility at Oak Ridge National Laboratory. The data span an energy range in which both molecular orbital close coupling (MOCC) and classical trajectory Monte Carlo (CTMC) calculations are available. The influence of quantum mechanical effects of the ionic core as predicted by MOCC is clearly seen in our results. However, discrepancies between our experiment and MOCC results toward higher collision energies are observed. At energies above 1000 eV/u good agreement is found with CTMC results.

  14. Revitalize Electrical Program with Renewable Energy Focus

    ERIC Educational Resources Information Center

    Karns, Robert J.

    2012-01-01

    Starting a renewable energy technology (RET) program can be as simple as shifting the teaching and learning focus of a traditional electricity program toward energy production and energy control systems. Redirecting curriculum content and delivery to address photovoltaic solar (PV solar) technology and small wind generation systems is a natural…

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

    NASA Astrophysics Data System (ADS)

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

    2013-08-01

    Cold chemical reactions between laser-cooled Ca+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the range of collision energies ⟨E coll⟩/k B=20 mK-20 K. The lowest energies were achieved in experiments using single localised Ca+ ions. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes in this system (non-radiative and radiative charge transfer as well as radiative association leading to the formation of CaRb+ molecular ions) have been analysed using high-level quantum-chemical calculations of the potential energy curves of CaRb+ and quantum-scattering calculations for the radiative channels. For the present low-energy scattering experiments, it is shown that the energy dependence of the reaction rate constants is governed by long-range interactions in line with the classical Langevin model, but their magnitude is determined by short-range non-adiabatic and radiative couplings which only weakly depend on the asymptotic energy. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral reactive collisions.

  16. Federal Energy Management Program Overview

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    Brochure offers an overview of the Federal Energy Management Program (FEMP), which provides agencies and organizations with the information, tools, and assistance they need to achieve their energy-related requirements and goals through specialized initiatives.

  17. Tribal Energy Program, Assisting Tribes to Realize Their Energy Visions (Brochure), Energy Efficiency & Renewable Energy (EERE)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    2013-06-01

    This 12-page brochure provides an overview of the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy's Tribal Energy Program and describes the financial, technical, and educational assistance it provides to help tribes develop their renewable energy resources and reduce their energy consumption.

  18. Accuracy of free energies of hydration using CM1 and CM3 atomic charges.

    PubMed

    Udier-Blagović, Marina; Morales De Tirado, Patricia; Pearlman, Shoshannah A; Jorgensen, William L

    2004-08-01

    Absolute free energies of hydration (DeltaGhyd) have been computed for 25 diverse organic molecules using partial atomic charges derived from AM1 and PM3 wave functions via the CM1 and CM3 procedures of Cramer, Truhlar, and coworkers. Comparisons are made with results using charges fit to the electrostatic potential surface (EPS) from ab initio 6-31G* wave functions and from the OPLS-AA force field. OPLS Lennard-Jones parameters for the organic molecules were used together with the TIP4P water model in Monte Carlo simulations with free energy perturbation theory. Absolute free energies of hydration were computed for OPLS united-atom and all-atom methane by annihilating the solutes in water and in the gas phase, and absolute DeltaGhyd values for all other molecules were computed via transformation to one of these references. Optimal charge scaling factors were determined by minimizing the unsigned average error between experimental and calculated hydration free energies. The PM3-based charge models do not lead to lower average errors than obtained with the EPS charges for the subset of 13 molecules in the original study. However, improvement is obtained by scaling the CM1A partial charges by 1.14 and the CM3A charges by 1.15, which leads to average errors of 1.0 and 1.1 kcal/mol for the full set of 25 molecules. The scaled CM1A charges also yield the best results for the hydration of amides including the E/Z free-energy difference for N-methylacetamide in water. Copyright 2004 Wiley Periodicals, Inc.

  19. Fundamental Challenges for Modeling Electrochemical Energy Storage Systems at the Atomic Scale.

    PubMed

    Groß, Axel

    2018-04-23

    There is a strong need to improve the efficiency of electrochemical energy storage, but progress is hampered by significant technological and scientific challenges. This review describes the potential contribution of atomic-scale modeling to the development of more efficient batteries, with a particular focus on first-principles electronic structure calculations. Numerical and theoretical obstacles are discussed, along with ways to overcome them, and some recent examples are presented illustrating the insights into electrochemical energy storage that can be gained from quantum chemical studies.

  20. Energy shift and Casimir-Polder force for an atom out of thermal equilibrium near a dielectric substrate

    NASA Astrophysics Data System (ADS)

    Zhou, Wenting; Yu, Hongwei

    2014-09-01

    We study the energy shift and the Casimir-Polder force of an atom out of thermal equilibrium near the surface of a dielectric substrate. We first generalize, adopting the local source hypothesis, the formalism proposed by Dalibard, Dupont-Roc, and Cohen-Tannoudji [J. Phys. (Paris) 43, 1617 (1982), 10.1051/jphys:0198200430110161700; J. Phys. (Paris) 45, 637 (1984), 10.1051/jphys:01984004504063700], which separates the contributions of thermal fluctuations and radiation reaction to the energy shift and allows a distinct treatment of atoms in the ground and excited states, to the case out of thermal equilibrium, and then we use the generalized formalism to calculate the energy shift and the Casimir-Polder force of an isotropically polarizable neutral atom. We identify the effects of the thermal fluctuations that originate from the substrate and the environment and discuss in detail how the Casimir-Polder force out of thermal equilibrium behaves in three different distance regions in both the low-temperature limit and the high-temperature limit for both the ground-state and excited-state atoms, with special attention devoted to the distinctive features as opposed to thermal equilibrium. In particular, we recover the distinctive behavior of the atom-wall force out of thermal equilibrium at large distances in the low-temperature limit recently found in a different theoretical framework, and furthermore we give a concrete region where this behavior holds.

  1. 76 FR 62457 - Atomic Safety and Licensing Board; Nextera Energy Seabrook, LLC (Seabrook Station, Unit 1...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-07

    ... NUCLEAR REGULATORY COMMISSION [Docket No. 50-443-LR; ASLBP No. 10-906-02-LR-BD01] Atomic Safety and Licensing Board; Nextera Energy Seabrook, LLC (Seabrook Station, Unit 1); Notice of Hearing Before... subsequent notice or order. \\2\\ Id. at 63. It is so ordered. For the Atomic Safety and Licensing Board. Dated...

  2. Antihydrogen-hydrogen elastic scattering at thermal energies using an atomic-orbital technique

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sinha, Prabal K.; Chaudhuri, Puspitapallab; Ghosh, A.S.

    2003-05-01

    In view of the recent interest in the trapping of antihydrogen atom H(bar sign), at very low temperatures, H-bar-H scattering has been investigated at low incident energies using a close-coupling model with the basis set H-bar(1s,2s,2p-bar)+H(1s,2s,2p-bar). The predicted s-wave elastic phase shifts, scattering length, and effective range are in a good agreement with the other recent predictions of Jonsell et al. and of Armour and Chamberlain. The results indicate that the atomic orbital expansion model is suitable to study the H-bar-H scattering at ultracold temperatures.

  3. Deep space network energy program

    NASA Technical Reports Server (NTRS)

    Friesema, S. E.

    1980-01-01

    If the Deep Space Network is to exist in a cost effective and reliable manner in the next decade, the problems presented by international energy cost increases and energy availability must be addressed. The Deep Space Network Energy Program was established to implement solutions compatible with the ongoing development of the total network.

  4. Model Energy Efficiency Program Impact Evaluation Guide

    EPA Pesticide Factsheets

    Find guidance on model approaches for calculating energy, demand, and emissions savings resulting from energy efficiency programs. It describes several standard approaches that can be used in order to make these programs more efficient.

  5. Information exchange of the Atomic Energy Society of Japan with nuclear societies worldwide

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hori, Masao; Tomita, Yasushi

    2000-07-01

    The Atomic Energy Society of Japan (AESJ) exchanges information with nuclear societies worldwide by intersocietal communication through international councils of nuclear societies and through bilateral agreements between foreign societies and by such media as international meetings, publications, and Internet applications.

  6. Using Uncertainty Principle to Find the Ground-State Energy of the Helium and a Helium-like Hookean Atom

    ERIC Educational Resources Information Center

    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…

  7. State Energy Program Results: More Projects That Work

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1998-12-01

    A Summary of Success stories of the State Energy Programs. The goal of the State Energy Program is to strengthen the capabilities of States to promote energy efficiency and to adopt renewable energy technologies, thereby helping the nation save energy and realize a stronger economy, cleaner environment, and a more secure future.

  8. Comparison of the Atomic Oxygen Erosion Depth and Cone Height of Various Materials at Hyperthermal Energy

    NASA Technical Reports Server (NTRS)

    Waters, Deborah L.; Banks, Bruce A.; Thorson, Stephen D.; deGroh, Kim, K.; Miller, Sharon K.

    2007-01-01

    Atomic oxygen readily reacts with most spacecraft polymer materials exposed to the low Earth orbital (LEO) environment. If the atomic oxygen arrival comes from a fixed angle of impact, the resulting erosion will foster the development of a change in surface morphology as material thickness decreases. Hydrocarbon and halopolymer materials, as well as graphite, are easily oxidized and textured by directed atomic oxygen in LEO at energies of approx.4.5 eV. What has been curious is that the ratio of cone height to erosion depth is quite different for different materials. The formation of cones under fixed direction atomic oxygen attack may contribute to a reduction in material tensile strength in excess of that which would occur if the cone height to erosion depth ratio was very low because of greater opportunities for crack initiation. In an effort to understand how material composition affects the ratio of cone height to erosion depth, an experimental investigation was conducted on 18 different materials exposed to a hyperthermal energy directed atomic oxygen source (approx.70 eV). The materials were first salt-sprayed to provide microscopic local areas that would be protected from atomic oxygen. This allowed erosion depth measurements to be made by scanning microscopy inspection. The polymers were then exposed to atomic oxygen produced by an end Hall ion source that was operated on pure oxygen. Samples were exposed to an atomic oxygen effective fluence of 1.0x10(exp 20) atoms/sq cm based on Kapton H polyimide erosion. The average erosion depth and average cone height were determined using field emission scanning electron microscopy (FESEM). The experimental ratio of average cone height to erosion depth is compared to polymer composition and other properties.

  9. ANTICOOL: Simulating positron cooling and annihilation in atomic gases

    NASA Astrophysics Data System (ADS)

    Green, D. G.

    2018-03-01

    The Fortran program ANTICOOL, developed to simulate positron cooling and annihilation in atomic gases for positron energies below the positronium-formation threshold, is presented. Given positron-atom elastic scattering phase shifts, normalised annihilation rates Zeff, and γ spectra as a function of momentum k, ANTICOOL enables the calculation of the positron momentum distribution f(k , t) as a function of time t, the time-varying normalised annihilation rate Z¯eff(t) , the lifetime spectrum and time-varying annihilation γ spectra. The capability and functionality of the program is demonstrated via a tutorial-style example for positron cooling and annihilation in room temperature helium gas, using accurate scattering and annihilation cross sections and γ spectra calculated using many-body theory as input.

  10. Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study

    NASA Astrophysics Data System (ADS)

    Gharabaghi, Masumeh; Shahbazian, Shant

    2017-04-01

    The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not 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 quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

  11. Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.

    PubMed

    Gharabaghi, Masumeh; Shahbazian, Shant

    2017-04-21

    The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not 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 quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

  12. DOE Solar Energy Technologies Program FY 2005 Annual Report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    The DOE Solar Energy Technologies Program FY 2005 Annual Report chronicles the R&D results of the U.S. Department of Energy Solar Energy Technologies Program for Fiscal Year 2005. In particular, the report describes R&D performed by the Program?s national laboratories (National Renewable Energy Laboratory, Sandia National Laboratories, Oak Ridge National Laboratory, and Brookhaven National Laboratory) and university and industry partners.

  13. Probing resonant energy transfer in collisions of ammonia with Rydberg helium atoms by microwave spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhelyazkova, V.; Hogan, S. D.

    2017-12-01

    We present the results of experiments demonstrating the spectroscopic detection of Förster resonance energy transfer from NH3 in the X1A1 ground electronic state to helium atoms in 1sns 3S1 Rydberg levels, where n = 37 and n = 40. For these values of n, the 1sns 3S1 → 1snp 3PJ transitions in helium lie close to resonance with the ground-state inversion transitions in NH3 and can be tuned through resonance using electric fields of less than 10 V/cm. In the experiments, energy transfer was detected by direct state-selective electric field ionization of the 3S1 and 3PJ Rydberg levels and by monitoring the population of the 3DJ levels following pulsed microwave transfer from the 3PJ levels. Detection by microwave spectroscopic methods represents a highly state selective, low-background approach to probing the collisional energy transfer process and the environment in which the atom-molecule interactions occur. The experimentally observed electric-field dependence of the resonant energy transfer process, probed both by direct electric field ionization and by microwave transfer, agrees well with the results of calculations performed using a simple theoretical model of the energy transfer process. For measurements performed in zero electric field with atoms prepared in the 1s40s 3S1 level, the transition from a regime in which a single energy transfer channel can be isolated for detection to one in which multiple collision channels begin to play a role has been identified as the NH3 density was increased.

  14. Kinetic energy partition method applied to ground state helium-like atoms.

    PubMed

    Chen, Yu-Hsin; Chao, Sheng D

    2017-03-28

    We have used the recently developed kinetic energy partition (KEP) method to solve the quantum eigenvalue problems for helium-like atoms and obtain precise ground state energies and wave-functions. The key to treating properly the electron-electron (repulsive) Coulomb potential energies for the KEP method to be applied is to introduce a "negative mass" term into the partitioned kinetic energy. A Hartree-like product wave-function from the subsystem wave-functions is used to form the initial trial function, and the variational search for the optimized adiabatic parameters leads to a precise ground state energy. This new approach sheds new light on the all-important problem of solving many-electron Schrödinger equations and hopefully opens a new way to predictive quantum chemistry. The results presented here give very promising evidence that an effective one-electron model can be used to represent a many-electron system, in the spirit of density functional theory.

  15. Exploring efficacy of residential energy efficiency programs in Florida

    NASA Astrophysics Data System (ADS)

    Taylor, Nicholas Wade

    Electric utilities, government agencies, and private interests in the U.S. have committed and continue to invest substantial resources in the pursuit of energy efficiency and conservation through demand-side management (DSM) programs. Program investments, and the demand for impact evaluations that accompany them, are projected to grow in coming years due to increased pressure from state-level energy regulation, costs and challenges of building additional production capacity, fuel costs and potential carbon or renewable energy regulation. This dissertation provides detailed analyses of ex-post energy savings from energy efficiency programs in three key sectors of residential buildings: new, single-family, detached homes; retrofits to existing single-family, detached homes; and retrofits to existing multifamily housing units. Each of the energy efficiency programs analyzed resulted in statistically significant energy savings at the full program group level, yet savings for individual participants and participant subgroups were highly variable. Even though savings estimates were statistically greater than zero, those energy savings did not always meet expectations. Results also show that high variability in energy savings among participant groups or subgroups can negatively impact overall program performance and can undermine marketing efforts for future participation. Design, implementation, and continued support of conservation programs based solely on deemed or projected savings is inherently counter to the pursuit of meaningful energy conservation and reductions in greenhouse gas emissions. To fully understand and optimize program impacts, consistent and robust measurement and verification protocols must be instituted in the design phase and maintained over time. Furthermore, marketing for program participation must target those who have the greatest opportunity for savings. In most utility territories it is not possible to gain access to the type of large scale

  16. Energy Star program benefits Con Edison

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    NONE

    Impressed with savings in energy costs achieved after upgrading the lighting and air conditioning systems at its Manhattan headquarters, Home Box Office (HBO) wanted to do more, James Flock, vice president for computer and office systems, contacted Con Edison Co. of New York in March 1991 to determine what the company could do to save money by reducing energy consumed by personal computers. Arthur Kressner, Con Edison Research and Development manager contacted industry organizations and manufacturers for advice, but was told only to shut off computers at night and on weekends. Kressner arranged a series of meetings with IBM andmore » the Electric Power Research Institute (EPRI) to discuss the issue, then approached the U.S. Environmental Protection Agency (EPA), which was designing a program to promote the introduction and use of energy-efficient office equipment. In 1992, the EPA announced the Energy Star program for PCs, enabling manufacturers to display the Energy Star logo on machines meeting program criteria, including the ability to enter a sleep mode in which neither the computer nor monitor consume more than 30 W or electricity. Industry experts estimate national energy consumption by office equipment could double by the year 2000, but Energy Star equipment is expected to improve efficiency and help maintain electric loads.« less

  17. The impact of state energy programs and other contextual factors on U.S. buildings energy consumption

    NASA Astrophysics Data System (ADS)

    Ofori-Boadu, Andrea N. Y. A.

    High energy consumption in the United States has been influenced by populations, climates, income and other contextual factors. In the past decades, U.S. energy policies have pursued energy efficiency as a national strategy for reducing U.S. environmental degradation and dependence on foreign oils. The quest for improved energy efficiency has led to the development of energy efficient technologies and programs. The implementation of energy programs in the complex U.S. socio-technical environment is believed to promote the diffusion of energy efficiency technologies. However, opponents doubt the fact that these programs have the capacity to significantly reduce U.S. energy consumption. In order to contribute to the ongoing discussion, this quantitative study investigated the relationships existing among electricity consumption/ intensity, energy programs and contextual factors in the U.S. buildings sector. Specifically, this study sought to identify the significant predictors of electricity consumption and intensity, as well as estimate the overall impact of selected energy programs on electricity consumption and intensity. Using state-level secondary data for 51 U.S. states from 2006 to 2009, seven random effects panel data regression models confirmed the existence of significant relationships among some energy programs, contextual factors, and electricity consumption/intensity. The most significant predictors of improved electricity efficiency included the price of electricity, public benefits funds program, building energy codes program, financial and informational incentives program and the Leadership in Energy and Environmental Design (LEED) program. Consistently, the Southern region of the U.S. was associated with high electricity consumption and intensity; while the U.S. commercial sector was the greater benefactor from energy programs. On the average, energy programs were responsible for approximately 7% of the variation observed in electricity consumption

  18. Reorganization energy upon charging a single molecule on an insulator measured by atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Fatayer, Shadi; Schuler, Bruno; Steurer, Wolfram; Scivetti, Ivan; Repp, Jascha; Gross, Leo; Persson, Mats; Meyer, Gerhard

    2018-05-01

    Intermolecular single-electron transfer on electrically insulating films is a key process in molecular electronics1-4 and an important example of a redox reaction5,6. Electron-transfer rates in molecular systems depend on a few fundamental parameters, such as interadsorbate distance, temperature and, in particular, the Marcus reorganization energy7. This crucial parameter is the energy gain that results from the distortion of the equilibrium nuclear geometry in the molecule and its environment on charging8,9. The substrate, especially ionic films10, can have an important influence on the reorganization energy11,12. Reorganization energies are measured in electrochemistry13 as well as with optical14,15 and photoemission spectroscopies16,17, but not at the single-molecule limit and nor on insulating surfaces. Atomic force microscopy (AFM), with single-charge sensitivity18-22, atomic-scale spatial resolution20 and operable on insulating films, overcomes these challenges. Here, we investigate redox reactions of single naphthalocyanine (NPc) molecules on multilayered NaCl films. Employing the atomic force microscope as an ultralow current meter allows us to measure the differential conductance related to transitions between two charge states in both directions. Thereby, the reorganization energy of NPc on NaCl is determined as (0.8 ± 0.2) eV, and density functional theory (DFT) calculations provide the atomistic picture of the nuclear relaxations on charging. Our approach presents a route to perform tunnelling spectroscopy of single adsorbates on insulating substrates and provides insight into single-electron intermolecular transport.

  19. Atomic Data and Spectral Line Intensities for Be-like Ions

    NASA Technical Reports Server (NTRS)

    Bhatia, Anand; Landi, E.

    2008-01-01

    Atomic data and collision rates are needed to model the spectrum of optically thin astrophysical sources. Recent observations from solar instrumentation such as SOH0 and Hinode have revealed the presence of hosts of lines emitted by high-energy configurations from ions belonging to the Be-like to the 0-like isoelectronic sequences. Data for such configurations are often unavailable in the literature. We have started a program to calculate the atomic parameters and rates for the high-energy configurations of Be-like ions of the type ls2.21.nl' where n=3,4,5. We report on the results of this project and on the diagnostic application of the predicted spectral lines.

  20. Energy Landscape of All-Atom Protein-Protein Interactions Revealed by Multiscale Enhanced Sampling

    PubMed Central

    Moritsugu, Kei; Terada, Tohru; Kidera, Akinori

    2014-01-01

    Protein-protein interactions are regulated by a subtle balance of complicated atomic interactions and solvation at the interface. To understand such an elusive phenomenon, it is necessary to thoroughly survey the large configurational space from the stable complex structure to the dissociated states using the all-atom model in explicit solvent and to delineate the energy landscape of protein-protein interactions. In this study, we carried out a multiscale enhanced sampling (MSES) simulation of the formation of a barnase-barstar complex, which is a protein complex characterized by an extraordinary tight and fast binding, to determine the energy landscape of atomistic protein-protein interactions. The MSES adopts a multicopy and multiscale scheme to enable for the enhanced sampling of the all-atom model of large proteins including explicit solvent. During the 100-ns MSES simulation of the barnase-barstar system, we observed the association-dissociation processes of the atomistic protein complex in solution several times, which contained not only the native complex structure but also fully non-native configurations. The sampled distributions suggest that a large variety of non-native states went downhill to the stable complex structure, like a fast folding on a funnel-like potential. This funnel landscape is attributed to dominant configurations in the early stage of the association process characterized by near-native orientations, which will accelerate the native inter-molecular interactions. These configurations are guided mostly by the shape complementarity between barnase and barstar, and lead to the fast formation of the final complex structure along the downhill energy landscape. PMID:25340714

  1. Energy efficiency in nonprofit agencies: Creating effective program models

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Brown, M.A.; Prindle, B.; Scherr, M.I.

    Nonprofit agencies are a critical component of the health and human services system in the US. It has been clearly demonstrated by programs that offer energy efficiency services to nonprofits that, with minimal investment, they can educe their energy consumption by ten to thirty percent. This energy conservation potential motivated the Department of Energy and Oak Ridge National Laboratory to conceive a project to help states develop energy efficiency programs for nonprofits. The purpose of the project was two-fold: (1) to analyze existing programs to determine which design and delivery mechanisms are particularly effective, and (2) to create model programsmore » for states to follow in tailoring their own plans for helping nonprofits with energy efficiency programs. Twelve existing programs were reviewed, and three model programs were devised and put into operation. The model programs provide various forms of financial assistance to nonprofits and serve as a source of information on energy efficiency as well. After examining the results from the model programs (which are still on-going) and from the existing programs, several replicability factors'' were developed for use in the implementation of programs by other states. These factors -- some concrete and practical, others more generalized -- serve as guidelines for states devising program based on their own particular needs and resources.« less

  2. 77 FR 59712 - Energy Conservation Program: Energy Conservation Standards for Dishwashers

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-01

    ... DEPARTMENT OF ENERGY 10 CFR Parts 429 and 430 [Docket Number EERE-2011-BT-STD-0060] RIN 1904-AC64 Energy Conservation Program: Energy Conservation Standards for Dishwashers AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice of effective date and compliance dates...

  3. Measurements of the effective atomic numbers of minerals using bremsstrahlung produced by low-energy electrons

    NASA Astrophysics Data System (ADS)

    Czarnecki, S.; Williams, S.

    2017-12-01

    The accuracy of a method for measuring the effective atomic numbers of minerals using bremsstrahlung intensities has been investigated. The method is independent of detector-efficiency and maximum accelerating voltage. In order to test the method, experiments were performed which involved low-energy electrons incident on thick malachite, pyrite, and galena targets. The resultant thick-target bremsstrahlung was compared to bremsstrahlung produced using a standard target, and experimental effective atomic numbers were calculated using data from a previous study (in which the Z-dependence of thick-target bremsstrahlung was studied). Comparisons of the results to theoretical values suggest that the method has potential for implementation in energy-dispersive X-ray spectroscopy systems.

  4. Deer browse resources of the Atomic Energy Commission's Savannah River project area

    Treesearch

    William H. Moore

    1967-01-01

    A procedure developed in Georgia was used to inventory the browse resources of the Atomic Energy Commission's Savannah River Project Area near Aiken, South Carolina. Through this procedure, the forest land manager is supplied with relative carrying capacity data for deer . If silvical practices can be related to habitat quality and quantity, he can adjust...

  5. The NASA Energy Conservation Program

    NASA Technical Reports Server (NTRS)

    Gaffney, G. P.

    1977-01-01

    Large energy-intensive research and test equipment at NASA installations is identified, and methods for reducing energy consumption outlined. However, some of the research facilities are involved in developing more efficient, fuel-conserving aircraft, and tradeoffs between immediate and long-term conservation may be necessary. Major programs for conservation include: computer-based systems to automatically monitor and control utility consumption; a steam-producing solid waste incinerator; and a computer-based cost analysis technique to engineer more efficient heating and cooling of buildings. Alternate energy sources in operation or under evaluation include: solar collectors; electric vehicles; and ultrasonically emulsified fuel to attain higher combustion efficiency. Management support, cooperative participation by employees, and effective reporting systems for conservation programs, are also discussed.

  6. Community Solar Program Final Report for Austin Energy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None, None

    Austin Energy seeks to expand its portfolio of renewable programs with an innovative community solar program. The program provides an opportunity for Austin Energy's customers, who are unable or uninterested in installing solar on their own premises, to purchase solar power.

  7. Superradiators created atom by atom

    NASA Astrophysics Data System (ADS)

    Meschede, Dieter

    2018-02-01

    High radiation rates are usually associated with macroscopic lasers. Laser radiation is “coherent”—its amplitude and phase are well-defined—but its generation requires energy inputs to overcome loss. Excited atoms spontaneously emit in a random and incoherent fashion, and for N such atoms, the emission rate simply increases as N. However, if these atoms are in close proximity and coherently coupled by a radiation field, this microscopic ensemble acts as a single emitter whose emission rate increases as N2 and becomes “superradiant,” to use Dicke's terminology (1). On page 662 of this issue, Kim et al. (2) show the buildup of coherent light fields through collective emission from atomic radiators injected one by one into a resonator field. There is only one atom ever in the cavity, but the emission is still collective and superradiant. These results suggest another route toward thresholdless lasing.

  8. Abstracts: Energy Sciences programs, January--December 1978

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    This report presents abstracts of all publications in the Energy Sciences programs of the Department of Energy and Environment from January 1, 1978 through December 31, 1978. It is a companion report to Annual Highlights of Programs in Energy Sciences - (December 1978, BNL 50973). Together, they present scientific and/or technical highlights of the Energy Sciences programs for the past calendar year, detailed descriptions of all the programs, and the publication issuing from the work performed. The following are some of the topics included: porphyrin chemistry; chemistry of energetic compounds; combustion; coal utilization; metal hydrides; cyclic separations process research; tracemore » element analysis; materials properties and structures; radiation damage; superconducting materials; materials of construction for geothermal applications; repair of deteriorated concrete; development of glass--polymer composite sewer pipe; flash hydropyrolysis of coal; desulfurization of high-temperature combustion and fuel gases; and synthetic fuels development. (RWR)« less

  9. Mission and status of the US Department of Energy's battery energy storage program

    NASA Astrophysics Data System (ADS)

    Quinn, J. E.; Hurwitch, J. W.; Landgrebe, A. R.; Hauser, S. G.

    1985-05-01

    The mission of the US Department of Energy's battery research program has evolved to reflect the changing conditions of the world energy economy and the national energy policy. The battery energy storage program supports the goals of the National Energy Policy Plan (FY 1984). The goals are to provide an adequate supply of energy at reasonable costs, minimize federal control and involvement in the energy marketplace, promote a balanced and mixed energy resource system, and facilitate technology transfer from the public to the private sector. This paper describes the history of the battery energy storage program and its relevance to the national interest. Potential market applications for battery energy storage are reviewed, and each technology, its goals, and its current technical status are described. The paper concludes by describing the strategy developed to ensure effective technology transfer to the private sector and reviewing past significant accomplishments.

  10. Immediate estimation of correlation energy for molecular systems from the partial charges on atoms in the molecule

    NASA Astrophysics Data System (ADS)

    Kristyán, Sándor

    1997-11-01

    In the author's previous work (Chem. Phys. Lett. 247 (1995) 101 and Chem. Phys. Lett. 256 (1996) 229) a simple quasi-linear relationship was introduced between the number of electrons, N, participating in any molecular system and the correlation energy: -0.035 ( N - 1) > Ecorr[hartree] > - 0.045( N -1). This relationship was developed to estimate more accurately correlation energy immediately in ab initio calculations by using the partial charges of atoms in the molecule, easily obtained after Hartree-Fock self-consistent field (HF-SCF) calculations. The method is compared to the well-known B3LYP, MP2, CCSD and G2M methods. Correlation energy estimations for negatively (-1) charged atomic ions are also reported.

  11. Atomic Particle Detection, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Hellman, Hal

    This booklet is one of the booklets in the "Understanding the Atom Series" published by the U. S. Atomic Energy Commission for high school science teachers and their students. The instruments used to detect both particles and electromagnetic radiation that emerge from the nucleus are described. The counters reviewed include ionization chambers,…

  12. Evaluation of atomic constants for optical radiation, volume 2

    NASA Technical Reports Server (NTRS)

    Kylstra, C. D.; Schneider, R. J.

    1974-01-01

    Various atomic constant for 23 elements from helium to mercury were computed and are presented in tables. The data given for each element start with the element name, its atomic number, its ionic state, and the designation and series limit for each parent configuration. This is followed by information on the energy level, parent configuration, and designation for each term available to the program. The matrix elements subtables are ordered by the sequence numbers, which represent the initial and final levels of the transitions. Each subtable gives the following: configuration of the core or parent, designation and energy level for the reference state, effective principal quantum number, energy of the series limit, value of the matrix element for the reference state interacting with itself, and sum of all of the dipole matrix elements listed in the subtable. Dipole and quadrupole interaction data are also given.

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

    NASA Astrophysics Data System (ADS)

    Stefańska, Patrycja

    2016-03-01

    We present the results of numerical calculations of magnetizability (χ) of the relativistic one-electron atoms with a pointlike, spinless and motionless nuclei of charge Ze. Exploiting the analytical formula for χ recently derived by us Stefańska (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.: 2s1/2, 2p1/2, 2p3/2, 3s1/2, 3p1/2, 3p3/2, 3d3/2, and 3d5/2) of the Dirac one-electron atom. The results for ions with the atomic number 1 ⩽ Z ⩽ 137 are given in 14 tables. The comparison of the numerical values of magnetizabilities for the ground state and for each state 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.: α-1 = 137.035 999 139 (CODATA 2014) and α-1 = 137.035 999 074 (CODATA 2010), is also presented.

  14. The National Geothermal Energy Research Program

    NASA Technical Reports Server (NTRS)

    Green, R. J.

    1974-01-01

    The continuous demand for energy and the concern for shortages of conventional energy resources have spurred the nation to consider alternate energy resources, such as geothermal. Although significant growth in the one natural steam field located in the United States has occurred, a major effort is now needed if geothermal energy, in its several forms, is to contribute to the nation's energy supplies. From the early informal efforts of an Interagency Panel for Geothermal Energy Research, a 5-year Federal program has evolved whose objective is the rapid development of a commercial industry for the utilization of geothermal resources for electric power production and other products. The Federal program seeks to evaluate the realistic potential of geothermal energy, to support the necessary research and technology needed to demonstrate the economic and environmental feasibility of the several types of geothermal resources, and to address the legal and institutional problems concerned in the stimulation and regulation of this new industry.

  15. Finding concealed high atomic numbered materials hidden in cargo containers using dual-energy high-energy x-rays from a linear accelerator with the unique signature from photofission

    NASA Astrophysics Data System (ADS)

    Clayton, James E.; Bjorkholm, Paul

    2006-05-01

    The Dual Energy X-ray technique employs two X-ray projection images of an object with X-ray energy spectra at a low X-ray energy and a high X-ray energy. The two energies are both high enough to penetrate all cargoes. The endpoint energies for low and high will be approximately 5-6 MeV and 8-9.5 MeV respectively. These energies are chosen such that pair production is the dominant energy loss mechanism for the high energy mode. By defining the ratio of the transmitted X-ray photon R = T high/T low it can be shown that there is a difference in the ratio that will permit the detection of materials that are significantly higher in atomic number than the low to mid atomic numbered elements that normally appear in the stream of commerce. This difference can be used to assist in the automatic detection of high atomic numbered materials. These materials might be a WMD or dirty bomb. When coupled with detectors that can observe the delayed signature of photon induced fission a confirmation of a WMD may be made. The use of the delayed photons and neutrons from Photofission can confirm the presence of Special Nuclear Materials (SNM). The energy required to induce fission in SNM by a photon is approximately 6 MeV with the maximum fission production rate from X-ray photons in the energy range of 12-15 MeV.

  16. Core-core and core-valence correlation energy atomic and molecular benchmarks for Li through Ar

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ranasinghe, Duminda S.; Frisch, Michael J.; Petersson, George A., E-mail: gpetersson@wesleyan.edu

    2015-12-07

    We have established benchmark core-core, core-valence, and valence-valence absolute coupled-cluster single double (triple) correlation energies (±0.1%) for 210 species covering the first- and second-rows of the periodic table. These species provide 194 energy differences (±0.03 mE{sub h}) including ionization potentials, electron affinities, and total atomization energies. These results can be used for calibration of less expensive methodologies for practical routine determination of core-core and core-valence correlation energies.

  17. Fluorine Gauche Effect Explained by Electrostatic Polarization Instead of Hyperconjugation: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study.

    PubMed

    Thacker, Joseph C R; Popelier, Paul L A

    2018-02-08

    We present an interacting quantum atoms (IQA) study of the gauche effect by comparing 1,2-difluoroethane, 1,2-dichloroethane, and three conformers of 1,2,3,4,5,6-hexafluorocyclohexane. In the 1,2-difluoroethane, the gauche effect is observed in that the gauche conformation is more stable than the anti, whereas in 1,2-dichloroethane the opposite is true. The analysis performed here is exhaustive and unbiased thanks to using the recently introduced relative energy gradient (REG) method [ Thacker , J. C. R. ; Popelier , P. L. A. Theor. Chem. Acc . 2017 , 136 , 86 ], as implemented in the in-house program ANANKE. We challenge the common explanation that hyperconjugation is responsible for the gauche stability in 1,2-difluoroethane and instead present electrostatics as the cause of gauche stability. Our explanation of the gauche effect is also is seen in other molecules displaying local gauche conformations, such as the recently synthesized "all-cis" hexafluorocyclohexane and its conformers where all the fluorine atoms are in the equatorial positions. Using our extension of the traditional IQA methodology that allows for the partitioning of electrostatic terms into polarization and charge transfer, we propose that the cause of gauche stability is 1,3 C···F electrostatic polarization interactions. In other words, if a number of fluorine atoms are aligned, then the stability due to polarization of nearby carbon atoms is increased.

  18. Molybdenum and carbon atom and carbon cluster sputtering under low-energy noble gas plasma bombardment

    NASA Astrophysics Data System (ADS)

    Oyarzabal, Eider

    Exit-angle resolved Mo atom sputtering yield under Xe ion bombardment and carbon atom and cluster (C2 and C3) sputtering yields under Xe, Kr, Ar, Ne and He ion bombardment from a plasma are measured for low incident energies (75--225 eV). An energy-resolved quadrupole mass spectrometer (QMS) is used to detect the fraction of un-scattered sputtered neutrals that become ionized in the plasma; the angular distribution is obtained by changing the angle between the target and the QMS aperture. A one-dimensional Monte Carlo code is used to simulate the interaction of the plasma and the sputtered particles between the sample and the QMS. The elastic scattering cross-sections of C, C2 and C3 with the different bombarding gas neutrals is obtained by varying the distance between the sample and the QMS and by performing a best fit of the simulation results to the experimental results. Because the results obtained with the QMS are relative, the Mo atom sputtering results are normalized to the existing data in the literature and the total sputtering yield for carbon (C+C 2+C3) for each bombarding gas is obtained from weight loss measurements. The absolute sputtering yield for C, C2 and C 3 is then calculated from the integration of the measured angular distribution, taking into account the scattering and ionization of the sputtered particles between the sample and the QMS. The angular sputtering distribution for Mo has a maximum at theta=60°, and this maximum becomes less pronounced as the incident ion energy increases. The results of the Monte Carlo TRIDYN code simulation for the angular distribution of Mo atoms sputtered by Xe bombardment are in agreement with the experiments. For carbon sputtering under-cosine angular distributions of the sputtered atoms and clusters for all the studied bombarding gases are also observed. The C, C2 and C3 sputtering yield data shows a clear decrease of the atom to cluster (C/C2 and C/C3) sputtering ratio as the incident ion mass increases

  19. Process evaluation of the Regional Biomass Energy Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wilson, C.R.; Brown, M.A.; Perlack, R.D.

    1994-03-01

    The U.S. Department of Energy (DOE) established the Regional Biomass Energy Program (RBEP) in 1983 to increase the production and use of biomass energy resources. Through the creation of five regional program (the Great Lakes, Northeast, Pacific Northwest, Southeast, and West), the RBEP focuses on regionally specific needs and opportunities. In 1992, Oak Ridge National (ORNL) conducted a process evaluation of the RBEP Program designed to document and explain the development of the goals and strategies of the five regional programs; describe the economic and market context surrounding commercialization of bioenergy systems; assess the criteria used to select projects; describemore » experiences with cost sharing; identify program accomplishments in the transfer of information and technology; and offer recommendations for program improvement.« less

  20. Overview of Federal wind energy program

    NASA Technical Reports Server (NTRS)

    Ancona, D. F.

    1979-01-01

    The objectives and strategies of the Federal wind energy program are described. Changes in the program structure and some of the additions to the program are included. Upcoming organizational changes and some budget items are discussed, with particular emphasis on recent significant events regarding new approvals.

  1. Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.

    PubMed

    Lara, A; Riquelme, M; Vöhringer-Martinez, E

    2018-05-11

    Partition coefficients serve in various areas as pharmacology and environmental sciences to predict the hydrophobicity of different substances. Recently, they have also been used to address the accuracy of force fields for various organic compounds and specifically the methylated DNA bases. In this study, atomic charges were derived by different partitioning methods (Hirshfeld and Minimal Basis Iterative Stockholder) directly from the electron density obtained by electronic structure calculations in a vacuum, with an implicit solvation model or with explicit solvation taking the dynamics of the solute and the solvent into account. To test the ability of these charges to describe electrostatic interactions in force fields for condensed phases, the original atomic charges of the AMBER99 force field were replaced with the new atomic charges and combined with different solvent models to obtain the hydration and chloroform solvation free energies by molecular dynamics simulations. Chloroform-water partition coefficients derived from the obtained free energies were compared to experimental and previously reported values obtained with the GAFF or the AMBER-99 force field. The results show that good agreement with experimental data is obtained when the polarization of the electron density by the solvent has been taken into account, and when the energy needed to polarize the electron density of the solute has been considered in the transfer free energy. These results were further confirmed by hydration free energies of polar and aromatic amino acid side chain analogs. Comparison of the two partitioning methods, Hirshfeld-I and Minimal Basis Iterative Stockholder (MBIS), revealed some deficiencies in the Hirshfeld-I method related to the unstable isolated anionic nitrogen pro-atom used in the method. Hydration free energies and partitioning coefficients obtained with atomic charges from the MBIS partitioning method accounting for polarization by the implicit solvation model

  2. The Future of Atomic Energy

    DOE R&D Accomplishments Database

    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.

  3. Report of the Integrated Program Planning Activity for the DOE Fusion Energy Sciences Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    2000-12-01

    This report of the Integrated Program Planning Activity (IPPA) has been prepared in response to a recommendation by the Secretary of Energy Advisory Board that, ''Given the complex nature of the fusion effort, an integrated program planning process is an absolute necessity.'' We, therefore, undertook this activity in order to integrate the various elements of the program, to improve communication and performance accountability across the program, and to show the inter-connectedness and inter-dependency of the diverse parts of the national fusion energy sciences program. This report is based on the September 1999 Fusion Energy Sciences Advisory Committee's (FESAC) report ''Prioritiesmore » and Balance within the Fusion Energy Sciences Program''. In its December 5,2000, letter to the Director of the Office of Science, the FESAC has reaffirmed the validity of the September 1999 report and stated that the IPPA presents a framework and process to guide the achievement of the 5-year goals listed in the 1999 report. The National Research Council's (NRC) Fusion Assessment Committee draft final report ''An Assessment of the Department of Energy's Office of Fusion Energy Sciences Program'', reviewing the quality of the science in the program, was made available after the IPPA report had been completed. The IPPA report is, nevertheless, consistent with the recommendations in the NRC report. In addition to program goals and the related 5-year, 10-year, and 15-year objectives, this report elaborates on the scientific issues associated with each of these objectives. The report also makes clear the relationships among the various program elements, and cites these relationships as the reason why integrated program planning is essential. In particular, while focusing on the science conducted by the program, the report addresses the important balances between the science and energy goals of the program, between the MFE and IFE approaches, and between the domestic and international

  4. About the Federal Energy Management Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Richard Kidd

    2009-04-23

    Richard Kidd, Program Manager for the Federal Energy Management Program (FEMP), presents a discussion on FEMP direction and its future role, federal funding trends, future financing trends, and Earth Day observations.

  5. The Economic, Energy, and Environmental Impacts of the Energy-Related Inventions Program

    DOE R&D Accomplishments Database

    Brown, M.A.; Wilson, C.R.; Franchuk, C.A.; Cohn, S.M.; Jones, D.

    1994-07-01

    This report provides information on the economic, energy, and environmental impacts of inventions supported by the Energy-Related Inventions Program (ERIP) -- a program jointly operated by the US Department of Energy and the National Institute of Standards and Technology (NIST). It describes the results of the latest in a series of ERIP evaluation projects that have been completed since 1980. The period of interest is 1980 through 1992. The evaluation is based on data collected in 1993 through mail and telephone surveys of 253 program participants, and historical data collected during previous evaluations for an additional 189 participants.

  6. 75 FR 32459 - National Energy Rating Program for Homes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-08

    ... Homes AGENCY: Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Request for... parties to assist DOE in developing a voluntary National Energy Rating Program for Homes. The purpose of this program is to encourage consumers to invest in energy improvements in existing homes by providing...

  7. Prediction of In-Space Durability of Protected Polymers Based on Ground Laboratory Thermal Energy Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; deGroh, Kim K.; Rutledge, Sharon; DiFilippo, Frank J.

    1996-01-01

    The probability of atomic oxygen reacting with polymeric materials is orders of magnitude lower at thermal energies (greater than O.1 eV) than at orbital impact energies (4.5 eV). As a result, absolute atomic oxygen fluxes at thermal energies must be orders of magnitude higher than orbital energy fluxes, to produce the same effective fluxes (or same oxidation rates) for polymers. These differences can cause highly pessimistic durability predictions for protected polymers and polymers which develop protective metal oxide surfaces as a result of oxidation if one does not make suitable calibrations. A comparison was conducted of undercut cavities below defect sites in protected polyimide Kapton samples flown on the Long Duration Exposure Facility (LDEF) with similar samples exposed in thermal energy oxygen plasma. The results of this comparison were used to quantify predicted material loss in space based on material loss in ground laboratory thermal energy plasma testing. A microindent hardness comparison of surface oxidation of a silicone flown on the Environmental Oxygen Interaction with Materials-III (EOIM-III) experiment with samples exposed in thermal energy plasmas was similarly used to calibrate the rate of oxidation of silicone in space relative to samples in thermal energy plasmas exposed to polyimide Kapton effective fluences.

  8. The Minority Honors Program in Energy-Related Curricula.

    ERIC Educational Resources Information Center

    Kish, Evelyn Rubio; Santa Rita, Emilio

    In 1984, Bronx Community College (BCC) established the Minority Honors Program in Energy Related Curricula, a partnership between their academic honors program and the U.S. Department of Energy. The program's goal is to increase the participation of minorities in the fields of Computer Science, Electrical Technology, Engineering Science, Data…

  9. Home Performance with ENERGY STAR: Utility Bill Analysis on Homes Participating in Austin Energy's Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Belzer, D.; Mosey, G.; Plympton, P.

    2007-07-01

    Home Performance with ENERGY STAR (HPwES) is a jointly managed program of the U.S. Department of Energy (DOE) and the U.S. Environmental Protection Agency (EPA). This program focuses on improving energy efficiency in existing homes via a whole-house approach to assessing and improving a home's energy performance, and helping to protect the environment. As one of HPwES's local sponsors, Austin Energy's HPwES program offers a complete home energy analysis and a list of recommendations for efficiency improvements, along with cost estimates. To determine the benefits of this program, the National Renewable Energy Laboratory (NREL) collaborated with the Pacific Northwest Nationalmore » Laboratory (PNNL) to conduct a statistical analysis using energy consumption data of HPwES homes provided by Austin Energy. This report provides preliminary estimates of average savings per home from the HPwES Loan Program for the period 1998 through 2006. The results from this preliminary analysis suggest that the HPwES program sponsored by Austin Energy had a very significant impact on reducing average cooling electricity for participating households. Overall, average savings were in the range of 25%-35%, and appear to be robust under various criteria for the number of households included in the analysis.« less

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

    ERIC Educational Resources Information Center

    Spencer, James N.; And Others

    1996-01-01

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

  11. 13 CFR 101.500 - Small Business Energy Efficiency Program.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 13 Business Credit and Assistance 1 2013-01-01 2013-01-01 false Small Business Energy Efficiency... ADMINISTRATION Small Business Energy Efficiency § 101.500 Small Business Energy Efficiency Program. (a) The.../energy, building on the Energy Star for Small Business Program, to assist small business concerns in...

  12. 13 CFR 101.500 - Small Business Energy Efficiency Program.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false Small Business Energy Efficiency... ADMINISTRATION Small Business Energy Efficiency § 101.500 Small Business Energy Efficiency Program. (a) The.../energy, building on the Energy Star for Small Business Program, to assist small business concerns in...

  13. 13 CFR 101.500 - Small Business Energy Efficiency Program.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 13 Business Credit and Assistance 1 2011-01-01 2011-01-01 false Small Business Energy Efficiency... ADMINISTRATION Small Business Energy Efficiency § 101.500 Small Business Energy Efficiency Program. (a) The.../energy, building on the Energy Star for Small Business Program, to assist small business concerns in...

  14. 13 CFR 101.500 - Small Business Energy Efficiency Program.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 13 Business Credit and Assistance 1 2014-01-01 2014-01-01 false Small Business Energy Efficiency... ADMINISTRATION Small Business Energy Efficiency § 101.500 Small Business Energy Efficiency Program. (a) The.../energy, building on the Energy Star for Small Business Program, to assist small business concerns in...

  15. 13 CFR 101.500 - Small Business Energy Efficiency Program.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 13 Business Credit and Assistance 1 2012-01-01 2012-01-01 false Small Business Energy Efficiency... ADMINISTRATION Small Business Energy Efficiency § 101.500 Small Business Energy Efficiency Program. (a) The.../energy, building on the Energy Star for Small Business Program, to assist small business concerns in...

  16. Energy conversion and storage program

    NASA Astrophysics Data System (ADS)

    Cairns, E. J.

    1992-03-01

    The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in: (1) production of new synthetic fuels; (2) development of high-performance rechargeable batteries and fuel cells; (3) development of advanced thermochemical processes for energy conversion; (4) characterization of complex chemical processes; and (5) application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Topics include identification of new electrochemical couples for advanced rechargeable batteries, improvements in battery and fuel-cell materials, and the establishment of engineering principles applicable to electrochemical energy storage and conversion. Chemical Applications research includes topics such as separations, catalysis, fuels, and chemical analyses. Included in this program area are projects to develop improved, energy-efficient methods for processing waste streams from synfuel plants and coal gasifiers. Other research projects seek to identify and characterize the constituents of liquid fuel-system streams and to devise energy-efficient means for their separation. Materials Applications research includes the evaluation of the properties of advanced materials, as well as the development of novel preparation techniques. For example, the use of advanced techniques, such as sputtering and laser ablation, are being used to produce high-temperature superconducting films.

  17. Transportation energy strategy: Project {number_sign}5 of the Hawaii Energy Strategy Development Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    NONE

    1995-08-01

    This study was prepared for the State Department of Business, Economic Development and Tourism (DBEDT) as part of the Hawaii Energy Strategy program. Authority and responsibility for energy planning activities, such as the Hawaii Energy Strategy, rests with the State Energy Resources Coordinator, who is the Director of DBEDT. Hawaii Energy Strategy Study No. 5, Transportation Energy Strategy Development, was prepared to: collect and synthesize information on the present and future use of energy in Hawaii`s transportation sector, examine the potential of energy conservation to affect future energy demand; analyze the possibility of satisfying a portion of the state`s futuremore » transportation energy demand through alternative fuels; and recommend a program targeting energy use in the state`s transportation sector to help achieve state goals. The analyses and conclusions of this report should be assessed in relation to the other Hawaii Energy Strategy Studies in developing a comprehensive state energy program. 56 figs., 87 tabs.« less

  18. Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

    NASA Astrophysics Data System (ADS)

    Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

    2017-12-01

    The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

  19. The grasp2K relativistic atomic structure package

    NASA Astrophysics Data System (ADS)

    Jönsson, P.; He, X.; Froese Fischer, C.; Grant, I. P.

    2007-10-01

    This paper describes grasp2K, a general-purpose relativistic atomic structure package. It is a modification and extension of the GRASP92 package by [F.A. Parpia, C. Froese Fischer, I.P. Grant, Comput. Phys. Comm. 94 (1996) 249]. For the sake of continuity, two versions are included. Version 1 retains the GRASP92 formats for wave functions and expansion coefficients, but no longer requires preprocessing and more default options have been introduced. Modifications have eliminated some errors, improved the stability, and simplified interactive use. The transition code has been extended to cases where the initial and final states have different orbital sets. Several utility programs have been added. Whereas Version 1 constructs a single interaction matrix for all the J's and parities, Version 2 treats each J and parity as a separate matrix. This block structure results in a reduction of memory use and considerably shorter eigenvectors. Additional tools have been developed for this format. The CPU intensive parts of Version 2 have been parallelized using MPI. The package includes a "make" facility that relies on environment variables. These make it easier to port the application to different platforms. The present version supports the 32-bit Linux and ibmSP environments where the former is compatible with many Unix systems. Descriptions of the features and the program/data flow of the package will be given in some detail in this report. Program summaryProgram title: grasp2K Catalogue identifier: ADZL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZL_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.: 213 524 No. of bytes in distributed program, including test data, etc.: 1 328 588 Distribution format: tar.gz Programming language: Fortran and C Computer: Intel

  20. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral iron

    NASA Astrophysics Data System (ADS)

    Barklem, P. S.

    2018-05-01

    Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multi-channel Landau-Zener model. An extensive calculation including 166 covalent states and 25 ionic states is presented and rate coefficients are calculated for temperatures in the range 1000-20 000 K. The largest rates are found for charge transfer processes to and from two clusters of states around 6.3 and 6.6 eV excitation, corresponding in both cases to active 4d and 5p electrons undergoing transfer. Excitation and de-excitation processes among these two sets of states are also significant. Full Tables and rate coefficient data are only 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/612/A90

  1. Something Special for Teachers. A Schoolhouse Energy Teaching Program. SEED: Schoolhouse Energy Efficiency Demonstration.

    ERIC Educational Resources Information Center

    Anderson, Calvin E.; Bottinelli, Charles A.

    The Schoolhouse Energy Efficiency Demonstration (SEED) program was developed to assist schools in reducing the impact of rising energy costs. Developed as part of the SEED program, this publication was designed to provide background information on the energy issue and to briefly describe what future energy sources may be. It includes: (1)…

  2. Determination of the atomic density of rubidium-87

    NASA Astrophysics Data System (ADS)

    Zhao, Meng; Zhang, Kai; Chen, Li-Qing

    2015-09-01

    Atomic density is a basic and important parameter in quantum optics, nonlinear optics, and precision measurement. In the past few decades, several methods have been used to measure atomic density, such as thermionic effect, optical absorption, and resonance fluorescence. The main error of these experiments stemmed from depopulation of the energy level, self-absorption, and the broad bandwidth of the laser. Here we demonstrate the atomic density of 87Rb vapor in paraffin coated cell between 297 K and 334 K mainly using fluorescence measurement. Optical pumping, anti-relaxation coating, and absorption compensation approaches are used to decrease measurement error. These measurement methods are suitable for vapor temperature at dozens of degrees. The fitting function for the experimental data of 87Rb atomic density is given. Project supported by the Natural Science Foundation of China (Grant Nos. 11274118 and 11474095), the Innovation Program of Shanghai Municipal Education Commission of China (Grant No. 13ZZ036), and the Fundamental Research Funds for the Central Universities of China.

  3. Conservation and solar energy program: congressional budget request, FY 1982

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    1981-01-01

    Funding summaries are presented for the Conservation and Solar Energy Program funding information and program overview on energy conservation (Volume 7 of 7, DOE/CR-0011/2) are included for the Buildings and Community Systems, Industrial, Transportation; State and Local, Multi-Sector, Energy Impact Assistance, and Residential/Commercial retrofit programs. Funding information and program overviews on solar technology (Volume 2 of 7, DOE/CR-011/2) are included for Active and Passive Solar Heating and Cooling, Photovoltaics Energy Systems, Solar Thermal Power Systems, Biomass Energy Systems, Wind Energy Conversion Systems, Ocean Systems, Solar International Activities, Solar Information Systems, SERI Facility, MX-RES, Program Direction, and Alcohol Fuels programs. Informationmore » and overviews on energy production, demonstration, and distribution (Volume 6 of 7, DOE/CR-0011/2) are given for the solar program. A funding summary and a program overview are included for electrochemical and physical and chemical storage systems as appearing in DOE/CR-0011/2, Volume 3 of 7. Relevant tabulated data from the FY 1981. Request to the Congress are presented for Supplementals, Rescissions, and Deferrals. (MCW)« less

  4. 10 CFR 8.2 - Interpretation of Price-Anderson Act, section 170 of the Atomic Energy Act of 1954.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 1 2012-01-01 2012-01-01 false Interpretation of Price-Anderson Act, section 170 of the Atomic Energy Act of 1954. 8.2 Section 8.2 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.2... in Nuclear Energy 75 (1959). In the testimony before the Joint Committee last year, Professor Samuel...

  5. 10 CFR 8.2 - Interpretation of Price-Anderson Act, section 170 of the Atomic Energy Act of 1954.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 1 2011-01-01 2011-01-01 false Interpretation of Price-Anderson Act, section 170 of the Atomic Energy Act of 1954. 8.2 Section 8.2 Energy NUCLEAR REGULATORY COMMISSION INTERPRETATIONS § 8.2... in Nuclear Energy 75 (1959). In the testimony before the Joint Committee last year, Professor Samuel...

  6. Case-control study of prostatic cancer in employees of the United Kingdom Atomic Energy Authority.

    PubMed Central

    Rooney, C; Beral, V; Maconochie, N; Fraser, P; Davies, G

    1993-01-01

    OBJECTIVE--To investigate the relation between risk of prostatic cancer and occupational exposures, especially to radionuclides, in employees of the United Kingdom Atomic Energy Authority. DESIGN--Case-control study of men with prostatic cancer and matched controls. Information about sociodemographic factors and exposures to radionuclides and other substances was abstracted and classified for each subject from United Kingdom Atomic Energy Authority records without knowledge of who had cancer. SUBJECTS--136 men with prostatic cancer diagnosed between 1946 and 1986 and 404 matched controls, all employees of United Kingdom Atomic Energy Authority. MAIN OUTCOME MEASURES--Documented or possible contamination with specific radionuclides. RESULTS--Risk of prostatic cancer was significantly increased in men who were internally contaminated with or who worked in environments potentially contaminated by tritium, chromium-51, iron-59, cobalt-60, or zinc-65. Internal contamination with at least one of the five radionuclides was detected in 14 men with prostatic cancer (10%) and 12 controls (3%) (relative risk 5.32 (95% confidence interval 1.87 to 17.24). Altogether 28 men with prostatic cancer (21%) and 46 controls (11%) worked in environments potentially contaminated by at least one of the five radionuclides (relative risk 2.36 (1.26 to 4.43)); about two thirds worked at heavy water reactors (19 men with prostatic cancer and 32 controls (relative risk 2.13 (1.00 to 4.52)). Relative risk of prostatic cancer increased with increasing duration of work in places potentially contaminated by these radionuclides and with increasing level of probable contamination. Prostatic cancer was not associated with exposure to plutonium, uranium, cadmium, boron, beryllium, or organic or inorganic chemicals. CONCLUSIONS--Risk of prostatic cancer risk was increased in United Kingdom Atomic Energy Authority workers who were occupationally exposed to tritium, 51Cr, 59Fe, 60Co, or 65Zn. Exposure to

  7. ARC: An open-source library for calculating properties of alkali Rydberg atoms

    NASA Astrophysics Data System (ADS)

    Šibalić, N.; Pritchard, J. D.; Adams, C. S.; Weatherill, K. J.

    2017-11-01

    We present an object-oriented Python library for the computation of properties of highly-excited Rydberg states of alkali atoms. These include single-body effects such as dipole matrix elements, excited-state lifetimes (radiative and black-body limited) and Stark maps of atoms in external electric fields, as well as two-atom interaction potentials accounting for dipole and quadrupole coupling effects valid at both long and short range for arbitrary placement of the atomic dipoles. The package is cross-referenced to precise measurements of atomic energy levels and features extensive documentation to facilitate rapid upgrade or expansion by users. This library has direct application in the field of quantum information and quantum optics which exploit the strong Rydberg dipolar interactions for two-qubit gates, robust atom-light interfaces and simulating quantum many-body physics, as well as the field of metrology using Rydberg atoms as precise microwave electrometers. Program Files doi:http://dx.doi.org/10.17632/hm5n8w628c.1 Licensing provisions: BSD-3-Clause Programming language: Python 2.7 or 3.5, with C extension External Routines: NumPy [1], SciPy [1], Matplotlib [2] Nature of problem: Calculating atomic properties of alkali atoms including lifetimes, energies, Stark shifts and dipole-dipole interaction strengths using matrix elements evaluated from radial wavefunctions. Solution method: Numerical integration of radial Schrödinger equation to obtain atomic wavefunctions, which are then used to evaluate dipole matrix elements. Properties are calculated using second order perturbation theory or exact diagonalisation of the interaction Hamiltonian, yielding results valid even at large external fields or small interatomic separation. Restrictions: External electric field fixed to be parallel to quantisation axis. Supplementary material: Detailed documentation (.html), and Jupyter notebook with examples and benchmarking runs (.html and .ipynb). [1] T.E. Oliphant

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

    NASA Astrophysics Data System (ADS)

    Dulieu, O.; Hall, F. H. J.; Eberle, P.; Hegi, G.; Raoult, M.; Aymar, M.; Willitsch, S.

    2013-05-01

    Cold chemical reactions between laser-cooled Ca+ or Ba+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the collision energy range Ecoll /kB = 20 mK-20 K. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes including the radiative formation of CaRb+ and BaRb+ molecular ions has been analyzed using accurate potential energy curves and quantum-scattering calculations for the radiative channels. It is shown that the energy dependence of the reaction rates is governed by long-range interactions, while its magnitude is determined by short-range non-adiabatic and radiative couplings. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral collisions. This work was supported by the Swiss National Science Foundation and the COST Action ''Ion Traps for Tomorrow's Applications''.

  9. 10 CFR Appendix D to Part 436 - Energy Program Conservation Elements

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 3 2013-01-01 2013-01-01 false Energy Program Conservation Elements D Appendix D to Part 436 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION FEDERAL ENERGY MANAGEMENT AND PLANNING PROGRAMS Pt. 436, App. D Appendix D to Part 436—Energy Program Conservation Elements (a) In all successful energy...

  10. 10 CFR Appendix D to Part 436 - Energy Program Conservation Elements

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false Energy Program Conservation Elements D Appendix D to Part 436 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION FEDERAL ENERGY MANAGEMENT AND PLANNING PROGRAMS Pt. 436, App. D Appendix D to Part 436—Energy Program Conservation Elements (a) In all successful energy...

  11. 10 CFR Appendix D to Part 436 - Energy Program Conservation Elements

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Energy Program Conservation Elements D Appendix D to Part 436 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION FEDERAL ENERGY MANAGEMENT AND PLANNING PROGRAMS Pt. 436, App. D Appendix D to Part 436—Energy Program Conservation Elements (a) In all successful energy...

  12. 10 CFR Appendix D to Part 436 - Energy Program Conservation Elements

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false Energy Program Conservation Elements D Appendix D to Part 436 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION FEDERAL ENERGY MANAGEMENT AND PLANNING PROGRAMS Pt. 436, App. D Appendix D to Part 436—Energy Program Conservation Elements (a) In all successful energy...

  13. 10 CFR Appendix D to Part 436 - Energy Program Conservation Elements

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Energy Program Conservation Elements D Appendix D to Part 436 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION FEDERAL ENERGY MANAGEMENT AND PLANNING PROGRAMS Pt. 436, App. D Appendix D to Part 436—Energy Program Conservation Elements (a) In all successful energy...

  14. ERCS08: A FORTRAN program equipped with a Windows graphics user interface that calculates ECPSSR cross sections for the removal of atomic electrons

    NASA Astrophysics Data System (ADS)

    Horvat, Vladimir

    2009-06-01

    ERCS08 is a program for computing the atomic electron removal cross sections. It is written in FORTRAN in order to make it more portable and easier to customize by a large community of physicists, but it also comes with a separate windows graphics user interface control application ERCS08w that makes it easy to quickly prepare the input file, run the program, as well as view and analyze the output. The calculations are based on the ECPSSR theory for direct (Coulomb) ionization and non-radiative electron capture. With versatility in mind, the program allows for selective inclusion or exclusion of individual contributions to the cross sections from effects such as projectile energy loss, Coulomb deflection of the projectile, perturbation of electron's stationary state (polarization and binding), as well as relativity. This makes it straightforward to assess the importance of each effect in a given collision regime. The control application also makes it easy to setup for calculations in inverse kinematics (i.e. ionization of projectile ions by target atoms or ions). Program summaryProgram title: ERCS08 Catalogue identifier: AECU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECU_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.: 12 832 No. of bytes in distributed program, including test data, etc.: 318 420 Distribution format: tar.gz Programming language: Once the input file is prepared (using a text editor or ERCS08w), all the calculations are done in FORTRAN using double precision. Computer: see "Operating system" below Operating system: The main program (ERCS08) can run on any computer equipped with a FORTRAN compiler. Its pre-compiled executable file (supplied) runs under DOS or Windows. The supplied graphics user interface control application (ERCS08w

  15. Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior.

    PubMed

    Rodriguez-Bautista, Mariano; Díaz-García, Cecilia; Navarrete-López, Alejandra M; Vargas, Rubicelia; Garza, Jorge

    2015-07-21

    In this report, we use a new basis set for Hartree-Fock calculations related to many-electron atoms confined by soft walls. One- and two-electron integrals were programmed in a code based in parallel programming techniques. The results obtained with this proposal for hydrogen and helium atoms were contrasted with other proposals to study just one and two electron confined atoms, where we have reproduced or improved the results previously reported. Usually, an atom enclosed by hard walls has been used as a model to study confinement effects on orbital energies, the main conclusion reached by this model is that orbital energies always go up when the confinement radius is reduced. However, such an observation is not necessarily valid for atoms confined by penetrable walls. The main reason behind this result is that for atoms with large polarizability, like beryllium or potassium, external orbitals are delocalized when the confinement is imposed and consequently, the internal orbitals behave as if they were in an ionized atom. Naturally, the shell structure of these atoms is modified drastically when they are confined. The delocalization was an argument proposed for atoms confined by hard walls, but it was never verified. In this work, the confinement imposed by soft walls allows to analyze the delocalization concept in many-electron atoms.

  16. Lasers, Cold Atoms and Atomic Clocks: Realizing the Second Today

    NASA Astrophysics Data System (ADS)

    Calonico, Davide

    2013-09-01

    The time is the physical quantity that mankind could measure with the best accuracy, thanks to the properties of the atomic physics, as the present definition of time is based on atomic energy transitions. This short review gives some basic information on the heart of the measurement of time in the contemporary world, i.e. the atomic clocks, and some trends related.

  17. 76 FR 22453 - Energy Conservation Program: Energy Conservation Standards for Residential Clothes Dryers and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-21

    .... These impacts continue well beyond 2100. Table I-3 shows the annualized values for the clothes dryer... Conservation Program: Energy Conservation Standards for Residential Clothes Dryers and Room Air Conditioners... 1904-AA89 Energy Conservation Program: Energy Conservation Standards for Residential Clothes Dryers and...

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Williams, R.W.

    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:more » 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

  19. 10 CFR 420.17 - Optional elements of State Energy Program plans.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false Optional elements of State Energy Program plans. 420.17 Section 420.17 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION STATE ENERGY PROGRAM Formula Grant Procedures § 420.17 Optional elements of State Energy Program plans. (a) Other appropriate activities or...

  20. 10 CFR 420.17 - Optional elements of State Energy Program plans.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Optional elements of State Energy Program plans. 420.17 Section 420.17 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION STATE ENERGY PROGRAM Formula Grant Procedures § 420.17 Optional elements of State Energy Program plans. (a) Other appropriate activities or...

  1. 10 CFR 420.17 - Optional elements of State Energy Program plans.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Optional elements of State Energy Program plans. 420.17 Section 420.17 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION STATE ENERGY PROGRAM Formula Grant Procedures § 420.17 Optional elements of State Energy Program plans. (a) Other appropriate activities or...

  2. 10 CFR 420.17 - Optional elements of State Energy Program plans.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 3 2013-01-01 2013-01-01 false Optional elements of State Energy Program plans. 420.17 Section 420.17 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION STATE ENERGY PROGRAM Formula Grant Procedures § 420.17 Optional elements of State Energy Program plans. (a) Other appropriate activities or...

  3. 10 CFR 420.17 - Optional elements of State Energy Program plans.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false Optional elements of State Energy Program plans. 420.17 Section 420.17 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION STATE ENERGY PROGRAM Formula Grant Procedures § 420.17 Optional elements of State Energy Program plans. (a) Other appropriate activities or...

  4. Atomic-scale sensing of the magnetic dipolar field from single atoms

    NASA Astrophysics Data System (ADS)

    Choi, Taeyoung; Paul, William; Rolf-Pissarczyk, Steffen; MacDonald, Andrew J.; Natterer, Fabian D.; Yang, Kai; Willke, Philip; Lutz, Christopher P.; Heinrich, Andreas J.

    2017-05-01

    Spin resonance provides the high-energy resolution needed to determine biological and material structures by sensing weak magnetic interactions. In recent years, there have been notable achievements in detecting and coherently controlling individual atomic-scale spin centres for sensitive local magnetometry. However, positioning the spin sensor and characterizing spin-spin interactions with sub-nanometre precision have remained outstanding challenges. Here, we use individual Fe atoms as an electron spin resonance (ESR) sensor in a scanning tunnelling microscope to measure the magnetic field emanating from nearby spins with atomic-scale precision. On artificially built assemblies of magnetic atoms (Fe and Co) on a magnesium oxide surface, we measure that the interaction energy between the ESR sensor and an adatom shows an inverse-cube distance dependence (r-3.01±0.04). This demonstrates that the atoms are predominantly coupled by the magnetic dipole-dipole interaction, which, according to our observations, dominates for atom separations greater than 1 nm. This dipolar sensor can determine the magnetic moments of individual adatoms with high accuracy. The achieved atomic-scale spatial resolution in remote sensing of spins may ultimately allow the structural imaging of individual magnetic molecules, nanostructures and spin-labelled biomolecules.

  5. Conceptual DFT analysis of the fragility spectra of atoms along the minimum energy reaction coordinate.

    PubMed

    Ordon, Piotr; Komorowski, Ludwik; Jedrzejewski, Mateusz

    2017-10-07

    Theoretical justification has been provided to the method for monitoring the sequence of chemical bonds' rearrangement along a reaction path, by tracing the evolution of the diagonal elements of the Hessian matrix. Relations between the divergences of Hellman-Feynman forces and the energy and electron density derivatives have been demonstrated. By the proof presented on the grounds of the conceptual density functional theory formalism, the spectral amplitude observed on the atomic fragility spectra [L. Komorowski et al., Phys. Chem. Chem. Phys. 18, 32658 (2016)] reflects selectively the electron density modifications in bonds of an atom. In fact the spectral peaks for an atom reveal changes of the electron density occurring with bonds creation, breaking, or varying with the reaction progress.

  6. Conceptual DFT analysis of the fragility spectra of atoms along the minimum energy reaction coordinate

    NASA Astrophysics Data System (ADS)

    Ordon, Piotr; Komorowski, Ludwik; Jedrzejewski, Mateusz

    2017-10-01

    Theoretical justification has been provided to the method for monitoring the sequence of chemical bonds' rearrangement along a reaction path, by tracing the evolution of the diagonal elements of the Hessian matrix. Relations between the divergences of Hellman-Feynman forces and the energy and electron density derivatives have been demonstrated. By the proof presented on the grounds of the conceptual density functional theory formalism, the spectral amplitude observed on the atomic fragility spectra [L. Komorowski et al., Phys. Chem. Chem. Phys. 18, 32658 (2016)] reflects selectively the electron density modifications in bonds of an atom. In fact the spectral peaks for an atom reveal changes of the electron density occurring with bonds creation, breaking, or varying with the reaction progress.

  7. Aquifer thermal energy storage program

    NASA Technical Reports Server (NTRS)

    Fox, K.

    1980-01-01

    The purpose of the Aquifer Thermal Energy Storage Demonstration Program is to stimulate the interest of industry by demonstrating the feasibility of using a geological formation for seasonal thermal energy storage, thereby, reducing crude oil consumption, minimizing thermal pollution, and significantly reducing utility capital investments required to account for peak power requirements. This purpose will be served if several diverse projects can be operated which will demonstrate the technical, economic, environmental, and institutional feasibility of aquifer thermal energy storage systems.

  8. State Energy Efficiency Program Evaluation Inventory

    EIA Publications

    2013-01-01

    The focus of this inventory, some of which has been placed into a searchable spreadsheet, is to support the National Energy Modeling System (NEMS) and to research cost information in state-mandated energy efficiency program evaluations – e.g., for use in updating analytic and modeling assumptions used by the U.S. Energy Information Administration (EIA).

  9. Electronic torsional sound in linear atomic chains: Chemical energy transport at 1000 km/s

    NASA Astrophysics Data System (ADS)

    Kurnosov, Arkady A.; Rubtsov, Igor V.; Maksymov, Andrii O.; Burin, Alexander L.

    2016-07-01

    We investigate entirely electronic torsional vibrational modes in linear cumulene chains. The carbon nuclei of a cumulene are positioned along the primary axis so that they can participate only in the 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. Theory predictions are consistent with the time-dependent density functional theory calculations. Molecular systems for experimental evaluation of the predictions are proposed.

  10. Strategy Plan Strengthens Energy Conservation Program.

    ERIC Educational Resources Information Center

    Minning, William R.

    1987-01-01

    The United States Department of Energy's Schools and Hospitals Program has been popular among schools. The necessity of locating nonfederal resources to achieve energy management warrants (1) developing a strategy of evaluation among schools and (2) market research and analysis. (CJH)

  11. Second program on energy research and technologies

    NASA Technical Reports Server (NTRS)

    1982-01-01

    The second major energy research and development program is described. Renewable and nonrenewable energy resources are presented which include nuclear technology and future energy sources, like fusion. The current status and outlook for future progress are given.

  12. Lower bounds to energies for cusped-gaussian wavefunctions. [hydrogen atom ground state

    NASA Technical Reports Server (NTRS)

    Eaves, J. O.; Walsh, B. C.; Steiner, E.

    1974-01-01

    Calculations for the ground states of H, He, and Be, conducted by Steiner and Sykes (1972), show that the inclusion of a very small number of cusp functions can lead to a substantial enhancement of the quality of the Gaussian basis used in molecular wavefunction computations. The properties of the cusped-Gaussian basis are investigated by a calculation of lower bounds concerning the ground state energy of the hydrogen atom.

  13. Interactions and low-energy collisions between an alkali ion and an alkali atom of a different nucleus

    NASA Astrophysics Data System (ADS)

    Rakshit, Arpita; Ghanmi, Chedli; Berriche, Hamid; Deb, Bimalendu

    2016-05-01

    We study theoretically interaction potentials and low-energy collisions between different alkali atoms and alkali ions. Specifically, we consider systems such as 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 a pseudopotential method and compare our results with those obtained by others. We derive ground-state scattering wave functions and analyze the cold collisional properties 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. The low-energy scattering properties calculated in this paper may serve as a precursor for experimental exploration of quantum collisions between an alkali atom and an alkali ion of a different nucleus.

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

    NASA Technical Reports Server (NTRS)

    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.

  15. LOX/Hydrogen Coaxial Injector Atomization Test Program

    NASA Technical Reports Server (NTRS)

    Zaller, M.

    1990-01-01

    Quantitative information about the atomization of injector sprays is needed to improve the accuracy of computational models that predict the performance and stability margin of liquid propellant rocket engines. To obtain this data, a facility for the study of spray atomization is being established at NASA-Lewis to determine the drop size and velocity distributions occurring in vaporizing liquid sprays at supercritical pressures. Hardware configuration and test conditions are selected to make the cold flow simulant testing correspond as closely as possible to conditions in liquid oxygen (LOX)/gaseous H2 rocket engines. Drop size correlations from the literature, developed for liquid/gas coaxial injector geometries, are used to make drop size predictions for LOX/H2 coaxial injectors. The mean drop size predictions for a single element coaxial injector range from 0.1 to 2000 microns, emphasizing the need for additional studies of the atomization process in LOX/H2 engines. Selection of cold flow simulants, measured techniques, and hardware for LOX/H2 atomization simulations are discussed.

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

    PubMed

    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

  17. Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

    DOE PAGES

    Tao, Jianmin; Ye, Lin -Hui; Duan, Yuhua

    2017-11-20

    The primary goal of Kohn–Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao–Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew–Burke–Ernzerhof (PBE), Tao–Perdew–Staroverov–Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree–Fock density yields the exchange and correlation energies in good agreement with the Optimizedmore » Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Lastly, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.« less

  18. Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tao, Jianmin; Ye, Lin -Hui; Duan, Yuhua

    The primary goal of Kohn–Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao–Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew–Burke–Ernzerhof (PBE), Tao–Perdew–Staroverov–Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree–Fock density yields the exchange and correlation energies in good agreement with the Optimizedmore » Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Lastly, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.« less

  19. Energy Storage Systems Program Report for FY99

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    BOYES,JOHN D.

    2000-06-01

    Sandia National Laboratories, New Mexico, conducts the Energy Storage Systems Program, which is sponsored by the US Department of Energy's Office of Power Technologies. The goal of this program is to develop cost-effective electric energy storage systems for many high-value stationary applications in collaboration with academia and industry. Sandia National Laboratories is responsible for the engineering analyses, contracted development, and testing of energy storage components and systems. This report details the technical achievements realized during fiscal year 1999.

  20. ERDA's Chemical Energy Storage Program

    NASA Technical Reports Server (NTRS)

    Swisher, J. H.; Kelley, J. H.

    1977-01-01

    The Chemical Energy Storage Program is described with emphasis on hydrogen storage. Storage techniques considered include pressurized hydrogen gas storage, cryogenic liquid hydrogen storage, storage in hydride compounds, and aromatic-alicyclic hydrogen storage. Some uses of energy storage are suggested. Information on hydrogen production and hydrogen use is also presented. Applications of hydrogen energy systems include storage of hydrogen for utilities load leveling, industrial marketing of hydrogen both as a chemical and as a fuel, natural gas supplementation, vehicular applications, and direct substitution for natural gas.

  1. Biological consequences of nanoscale energy deposition near irradiated heavy atom nanoparticles

    PubMed Central

    McMahon, Stephen J.; Hyland, Wendy B.; Muir, Mark F.; Coulter, Jonathan A.; Jain, Suneil; Butterworth, Karl T.; Schettino, Giuseppe; Dickson, Glenn R.; Hounsell, Alan R.; O'Sullivan, Joe M.; Prise, Kevin M.; Hirst, David G.; Currell, Fred J.

    2011-01-01

    Gold nanoparticles (GNPs) are being proposed as contrast agents to enhance X-ray imaging and radiotherapy, seeking to take advantage of the increased X-ray absorption of gold compared to soft tissue. However, there is a great discrepancy between physically predicted increases in X-ray energy deposition and experimentally observed increases in cell killing. In this work, we present the first calculations which take into account the structure of energy deposition in the nanoscale vicinity of GNPs and relate this to biological outcomes, and show for the first time good agreement with experimentally observed cell killing by the combination of X-rays and GNPs. These results are not only relevant to radiotherapy, but also have implications for applications of heavy atom nanoparticles in biological settings or where human exposure is possible because the localised energy deposition high-lighted by these results may cause complex DNA damage, leading to mutation and carcinogenesis. PMID:22355537

  2. Advanced energy system program

    NASA Astrophysics Data System (ADS)

    Trester, K.

    1989-02-01

    The objectives of the program are to design, develop and demonstrate a natural-gas-fueled, highly recuperated, 50 kW Brayton-cycle cogeneration system for commercial, institutional, and multifamily residential applications. Marketing studies have shown that this Advanced Energy System (AES), with its many unique and cost-effective features, has the potential to offer significant reductions in annual electrical and thermal energy costs to the consumer. Specific advantages of the system that result in low cost of ownership are high electrical efficiency (30 percent, HHV), low maintenance, high reliability and long life (20 years).

  3. Development of a force sensor using atom interferometry to constrain theories on dark matter and dark energy

    NASA Astrophysics Data System (ADS)

    Schlupf, Chandler; Niederriter, Robert; Bohr, Eliot; Khamis, Sami; Park, Youna; Szwed, Erik; Hamilton, Paul

    2017-04-01

    Atom interferometry has been used in many precision measurements such as Newton's gravitational constant, the fine structure constant, and tests of the equivalence principle. We will perform atom interferometry in an optical lattice to measure the force felt by an atom due to a test mass in search of new forces suggested by dark matter and dark energy theories. We will be developing a new apparatus using laser-cooled ytterbium to continuously measure this force by observing their Bloch oscillations. Interfering atoms in an optical lattice allows continuous measurements in a small volume over a long period of time, enabling our device to be sensitive to time-varying forces while minimizing vibrational noise. We present the details of this experiment and the progress on it thus far.

  4. Hawaii energy strategy project 3: Renewable energy resource assessment and development program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    NONE

    1995-11-01

    RLA Consulting (RLA) has been retained by the State of Hawaii Department of Business, Economic Development and Tourism (DBEDT) to conduct a Renewable Energy Resource Assessment and Development Program. This three-phase program is part of the Hawaii Energy Strategy (HES), which is a multi-faceted program intended to produce an integrated energy strategy for the State of Hawaii. The purpose of Phase 1 of the project, Development of a Renewable Energy Resource Assessment Plan, is to better define the most promising potential renewable energy projects and to establish the most suitable locations for project development in the state. In order tomore » accomplish this goal, RLA has identified constraints and requirements for renewable energy projects from six different renewable energy resources: wind, solar, biomass, hydro, wave, and ocean thermal. These criteria were applied to areas with sufficient resource for commercial development and the results of Phase 1 are lists of projects with the most promising development potential for each of the technologies under consideration. Consideration of geothermal energy was added to this investigation under a separate contract with DBEDT. In addition to the project lists, a monitoring plan was developed with recommended locations and a data collection methodology for obtaining additional wind and solar data. This report summarizes the results of Phase 1. 11 figs., 22 tabs.« less

  5. MCNP6.1 simulations for low-energy atomic relaxation: Code-to-code comparison with GATEv7.2, PENELOPE2014, and EGSnrc

    NASA Astrophysics Data System (ADS)

    Jung, Seongmoon; Sung, Wonmo; Lee, Jaegi; Ye, Sung-Joon

    2018-01-01

    Emerging radiological applications of gold nanoparticles demand low-energy electron/photon transport calculations including details of an atomic relaxation process. Recently, MCNP® version 6.1 (MCNP6.1) has been released with extended cross-sections for low-energy electron/photon, subshell photoelectric cross-sections, and more detailed atomic relaxation data than the previous versions. With this new feature, the atomic relaxation process of MCNP6.1 has not been fully tested yet with its new physics library (eprdata12) that is based on the Evaluated Atomic Data Library (EADL). In this study, MCNP6.1 was compared with GATEv7.2, PENELOPE2014, and EGSnrc that have been often used to simulate low-energy atomic relaxation processes. The simulations were performed to acquire both photon and electron spectra produced by interactions of 15 keV electrons or photons with a 10-nm-thick gold nano-slab. The photon-induced fluorescence X-rays from MCNP6.1 fairly agreed with those from GATEv7.2 and PENELOPE2014, while the electron-induced fluorescence X-rays of the four codes showed more or less discrepancies. A coincidence was observed in the photon-induced Auger electrons simulated by MCNP6.1 and GATEv7.2. A recent release of MCNP6.1 with eprdata12 can be used to simulate the photon-induced atomic relaxation.

  6. Atomic resolution elemental mapping using energy-filtered imaging scanning transmission electron microscopy with chromatic aberration correction.

    PubMed

    Krause, F F; Rosenauer, A; Barthel, J; Mayer, J; Urban, K; Dunin-Borkowski, R E; Brown, H G; Forbes, B D; Allen, L J

    2017-10-01

    This paper addresses a novel approach to atomic resolution elemental mapping, demonstrating a method that produces elemental maps with a similar resolution to the established method of electron energy-loss spectroscopy in scanning transmission electron microscopy. Dubbed energy-filtered imaging scanning transmission electron microscopy (EFISTEM) this mode of imaging is, by the quantum mechanical principle of reciprocity, equivalent to tilting the probe in energy-filtered transmission electron microscopy (EFTEM) through a cone and incoherently averaging the results. In this paper we present a proof-of-principle EFISTEM experimental study on strontium titanate. The present approach, made possible by chromatic aberration correction, has the advantage that it provides elemental maps which are immune to spatial incoherence in the electron source, coherent aberrations in the probe-forming lens and probe jitter. The veracity of the experiment is supported by quantum mechanical image simulations, which provide an insight into the image-forming process. Elemental maps obtained in EFTEM suffer from the effect known as preservation of elastic contrast, which, for example, can lead to a given atomic species appearing to be in atomic columns where it is not to be found. EFISTEM very substantially reduces the preservation of elastic contrast and yields images which show stability of contrast with changing thickness. The experimental application is demonstrated in a proof-of-principle study on strontium titanate. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Atomic masses 1993. The 1993 atomic mass evaluation

    NASA Astrophysics Data System (ADS)

    Audi, G.; Wapstra, A. H.

    1993-11-01

    The 1993 atomic mass evaluation by G. Audi and A.H. Wapstra is documented. The resulting data files containing recommended values of atomic masses, obtained by experiment of systematics, and related data such as reaction and separation energies are described. The data files can be obtained through online services from several nuclear data centers or on magnetic tape, free of charge.

  8. Liquid Metals as Plasma-facing Materials for Fusion Energy Systems: From Atoms to Tokamaks

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stone, Howard A.; Koel, Bruce E.; Bernasek, Steven L.

    The objective of our studies was to advance our fundamental understanding of liquid metals as plasma-facing materials for fusion energy systems, with a broad scope: from atoms to tokamaks. The flow of liquid metals offers solutions to significant problems of the plasma-facing materials for fusion energy systems. Candidate metals include lithium, tin, gallium, and their eutectic combinations. However, such liquid metal solutions can only be designed efficiently if a range of scientific and engineering issues are resolved that require advances in fundamental fluid dynamics, materials science and surface science. In our research we investigated a range of significant and timelymore » problems relevant to current and proposed engineering designs for fusion reactors, including high-heat flux configurations that are being considered by leading fusion energy groups world-wide. Using experimental and theoretical tools spanning atomistic to continuum descriptions of liquid metals, and bridging surface chemistry, wetting/dewetting and flow, our research has advanced the science and engineering of fusion energy materials and systems. Specifically, we developed a combined experimental and theoretical program to investigate flows of liquid metals in fusion-relevant geometries, including equilibrium and stability of thin-film flows, e.g. wetting and dewetting, effects of electromagnetic and thermocapillary fields on liquid metal thin-film flows, and how chemical interactions and the properties of the surface are influenced by impurities and in turn affect the surface wetting characteristics, the surface tension, and its gradients. Because high-heat flux configurations produce evaporation and sputtering, which forces rearrangement of the liquid, and any dewetting exposes the substrate to damage from the plasma, our studies addressed such evaporatively driven liquid flows and measured and simulated properties of the different bulk phases and material interfaces. The range of our

  9. NIST Databases on Atomic Spectra

    NASA Astrophysics Data System (ADS)

    Reader, J.; Wiese, W. L.; Martin, W. C.; Musgrove, A.; Fuhr, J. R.

    2002-11-01

    The NIST atomic and molecular spectroscopic databases now available on the World Wide Web through the NIST Physics Laboratory homepage include Atomic Spectra Database, Ground Levels and Ionization Energies for the Neutral Atoms, Spectrum of Platinum Lamp for Ultraviolet Spectrograph Calibration, Bibliographic Database on Atomic Transition Probabilities, Bibliographic Database on Atomic Spectral Line Broadening, and Electron-Impact Ionization Cross Section Database. The Atomic Spectra Database (ASD) [1] offers evaluated data on energy levels, wavelengths, and transition probabilities for atoms and atomic ions. Data are given for some 950 spectra and 70,000 energy levels. About 91,000 spectral lines are included, with transition probabilities for about half of these. Additional data resulting from our ongoing critical compilations will be included in successive new versions of ASD. We plan to include, for example, our recently published data for some 16,000 transitions covering most ions of the iron-group elements, as well as Cu, Kr, and Mo [2]. Our compilations benefit greatly from experimental and theoretical atomic-data research being carried out in the NIST Atomic Physics Division. A new compilation covering spectra of the rare gases in all stages of ionization, for example, revealed a need for improved data in the infrared. We have thus measured these needed data with our high-resolution Fourier transform spectrometer [3]. An upcoming new database will give wavelengths and intensities for the stronger lines of all neutral and singly-ionized atoms, along with energy levels and transition probabilities for the persistent lines [4]. A critical compilation of the transition probabilities of Ba I and Ba II [5] has been completed and several other compilations of atomic transition probabilities are nearing completion. These include data for all spectra of Na, Mg, Al, and Si [6]. Newly compiled data for selected ions of Ne, Mg, Si and S, will form the basis for a new

  10. Building Energy Asset Score for Utilities and Energy Efficiency Program Administrators

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Building Technologies Office

    2015-01-01

    The Building Energy Asset Score is a national standardized tool for evaluating the physical and structural energy efficiency of commercial and multifamily residential buildings. The Asset Score generates a simple energy efficiency rating that enables comparison among buildings, and identifies opportunities for users to invest in energy efficiency upgrades. It is web-based and free to use. This fact sheet discusses the value of the score for utilities and energy efficiency program administrators.

  11. Sensing Atomic Motion from the Zero Point to Room Temperature with Ultrafast Atom Interferometry.

    PubMed

    Johnson, K G; Neyenhuis, B; Mizrahi, J; Wong-Campos, J D; Monroe, C

    2015-11-20

    We sense the motion of a trapped atomic ion using a sequence of state-dependent ultrafast momentum kicks. We use this atom interferometer to characterize a nearly pure quantum state with n=1 phonon and accurately measure thermal states ranging from near the zero-point energy to n[over ¯]~10^{4}, with the possibility of extending at least 100 times higher in energy. The complete energy range of this method spans from the ground state to far outside of the Lamb-Dicke regime, where atomic motion is greater than the optical wavelength. Apart from thermometry, these interferometric techniques are useful for characterizing ultrafast entangling gates between multiple trapped ions.

  12. Mass energy-absorption coefficients and average atomic energy-absorption cross-sections for amino acids in the energy range 0.122-1.330 MeV

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    More, Chaitali V., E-mail: chaitalimore89@gmail.com; Lokhande, Rajkumar M.; Pawar, Pravina P., E-mail: pravinapawar4@gmail.com

    Mass attenuation coefficients of amino acids such as n-acetyl-l-tryptophan, n-acetyl-l-tyrosine and d-tryptophan were measured in the energy range 0.122-1.330 MeV. NaI (Tl) scintillation detection system was used to detect gamma rays with a resolution of 8.2% at 0.662 MeV. The measured attenuation coefficient values were then used to determine the mass energy-absorption coefficients (σ{sub a,en}) and average atomic energy-absorption cross sections (μ{sub en}/ρ) of the amino acids. Theoretical values were calculated based on XCOM data. Theoretical and experimental values are found to be in good agreement.

  13. 76 FR 43941 - Energy Conservation Program: Energy Conservation Standards for Direct Heating Equipment

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-22

    ... DEPARTMENT OF ENERGY 10 CFR Part 430 [Docket Number EERE-2011-BT-STD-0047] RIN 1904-AC56 Energy Conservation Program: Energy Conservation Standards for Direct Heating Equipment AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice of proposed rulemaking and announcement...

  14. 77 FR 59719 - Energy Conservation Program: Energy Conservation Standards for Residential Clothes Washers

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-01

    ... DEPARTMENT OF ENERGY 10 CFR Parts 429 and 430 [Docket Number EERE-2008-BT-STD-0019] RIN 1904-AB90 Energy Conservation Program: Energy Conservation Standards for Residential Clothes Washers AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice of effective date and...

  15. NECAP 4.1: NASA's Energy-Cost Analysis Program input manual

    NASA Technical Reports Server (NTRS)

    Jensen, R. N.

    1982-01-01

    The computer program NECAP (NASA's Energy Cost Analysis Program) is described. The program is a versatile building design and energy analysis tool which has embodied within it state of the art techniques for performing thermal load calculations and energy use predictions. With the program, comparisons of building designs and operational alternatives for new or existing buildings can be made. The major feature of the program is the response factor technique for calculating the heat transfer through the building surfaces which accounts for the building's mass. The program expands the response factor technique into a space response factor to account for internal building temperature swings; this is extremely important in determining true building loads and energy consumption when internal temperatures are allowed to swing.

  16. Commercial Building Energy Asset Rating Program -- Market Research

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McCabe, Molly J.; Wang, Na

    2012-04-19

    Under contract to Pacific Northwest National Laboratory, HaydenTanner, LLC conducted an in-depth analysis of the potential market value of a commercial building energy asset rating program for the U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy. The market research objectives were to: (1) Evaluate market interest and need for a program and tool to offer asset rating and rapidly identify potential energy efficiency measures for the commercial building sector. (2) Identify key input variables and asset rating outputs that would facilitate increased investment in energy efficiency. (3) Assess best practices and lessons learned from existing nationalmore » and international energy rating programs. (4) Identify core messaging to motivate owners, investors, financiers, and others in the real estate sector to adopt a voluntary asset rating program and, as a consequence, deploy high-performance strategies and technologies across new and existing buildings. (5) Identify leverage factors and incentives that facilitate increased investment in these buildings. To meet these objectives, work consisted of a review of the relevant literature, examination of existing and emergent asset and operational rating systems, interviews with industry stakeholders, and an evaluation of the value implication of an asset label on asset valuation. This report documents the analysis methodology and findings, conclusion, and recommendations. Its intent is to support and inform the DOE Office of Energy Efficiency and Renewable Energy on the market need and potential value impacts of an asset labeling and diagnostic tool to encourage high-performance new buildings and building efficiency retrofit projects.« less

  17. Northwest Energy Efficient Manufactured Housing Program Specification Development

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hewes, Tom; Peeks, Brady

    2013-02-01

    The DOE research team Building America Partnership for Improved Residential Construction (BA-PIRC), Bonneville Power Administration (BPA), and Northwest Energy Works (NEW), the current Northwest Energy Efficient Manufactured Home Program (NEEM) program administrator, collaborated to research a new specification that would reduce the energy requirements of a NEEM home.This research identified and developed combinations of cost-effective high performance building assemblies and mechanical systems that can readily can be deployed in the manufacturing setting that reduce energy used for space conditioning, water heating and lighting by 50% over the present NEEM specifications.

  18. Ground-state energies and highest occupied eigenvalues of atoms in exchange-only density-functional theory

    NASA Astrophysics Data System (ADS)

    Li, Yan; Harbola, Manoj K.; Krieger, J. B.; Sahni, Viraht

    1989-11-01

    The exchange-correlation potential of the Kohn-Sham density-functional theory has recently been interpreted as the work required to move an electron against the electric field of its Fermi-Coulomb hole charge distribution. In this paper we present self-consistent results for ground-state total energies and highest occupied eigenvalues of closed subshell atoms as obtained by this formalism in the exchange-only approximation. The total energies, which are an upper bound, lie within 50 ppm of Hartree-Fock theory for atoms heavier than Be. The highest occupied eigenvalues, as a consequence of this interpretation, approximate well the experimental ionization potentials. In addition, the self-consistently calculated exchange potentials are very close to those of Talman and co-workers [J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976); K. Aashamar, T. M. Luke, and J. D. Talman, At. Data Nucl. Data Tables 22, 443 (1978)].

  19. Kinetics of Fast Atoms in the Terrestrial Atmosphere

    NASA Technical Reports Server (NTRS)

    Kharchenko, Vasili A.; Dalgarno, A.; Mellott, Mary (Technical Monitor)

    2002-01-01

    This report summarizes our investigations performed under NASA Grant NAG5-8058. The three-year research supported by the Geospace Sciences SR&T program (Ionospheric, Thermospheric, and Mesospheric Physics) has been designed to investigate fluxes of energetic oxygen and nitrogen atoms in the terrestrial thermosphere. Fast atoms are produced due to absorption of the solar radiation and due to coupling between the ionosphere and the neutral thermospheric gas. We have investigated the impact of hot oxygen and nitrogen atoms on the thermal balance, chemistry and radiation properties of the terrestrial thermosphere. Our calculations have been focused on the accurate quantitative description of the thermalization of O and N energetic atoms in collisions with atom and molecules of the ambient neutral gas. Upward fluxes of oxygen and nitrogen atoms, the rate of atmospheric heating by hot oxygen atoms, and the energy input into translational and rotational-vibrational degrees of atmospheric molecules have been evaluated. Altitude profiles of hot oxygen and nitrogen atoms have been analyzed and compared with available observational data. Energetic oxygen atoms in the terrestrial atmosphere have been investigated for decades, but insufficient information on the kinetics of fast atmospheric atoms has been a main obstacle for the interpretation of observational data and modeling of the hot geocorona. The recent development of accurate computational methods of the collisional kinetics is seen as an important step in the quantitative description of hot atoms in the thermosphere. Modeling of relaxation processes in the terrestrial atmosphere has incorporated data of recent observations, and theoretical predictions have been tested by new laboratory measurements.

  20. Clock Technology Development in the Laser Cooling and Atomic Physics (LCAP) Program

    NASA Technical Reports Server (NTRS)

    Seidel, Dave; Thompson, R. J.; Klipstein, W. M.; Kohel, J.; Maleki, L.

    2000-01-01

    This paper presents the Laser Cooling and Atomic Physics (LCAP) program. It focuses on clock technology development. The topics include: 1) Overview of LCAP Flight Projects; 2) Space Clock 101; 3) Physics with Clocks in microgravity; 4) Space Clock Challenges; 5) LCAP Timeline; 6) International Space Station (ISS) Science Platforms; 7) ISS Express Rack; 8) Space Qualification of Components; 9) Laser Configuration; 10) Clock Rate Comparisons: GPS Carrier Phase Frequency Transfer; and 11) ISS Model Views. This paper is presented in viewgraph form.

  1. Atomicity violation detection using access interleaving invariants

    DOEpatents

    Zhou, Yuanyuan; Lu, Shan; Tucek, Joseph Andrew

    2013-09-10

    During execution of a program, the situation where the atomicity of a pair of instructions that are to be executed atomically is violated is identified, and a bug is detected as occurring in the program at the pair of instructions. The pairs of instructions that are to be executed atomically can be identified in different manners, such as by executing a program multiple times and using the results of those executions to automatically identify the pairs of instructions.

  2. 40 CFR 192.33 - Corrective action programs.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... PROGRAMS HEALTH AND ENVIRONMENTAL PROTECTION STANDARDS FOR URANIUM AND THORIUM MILL TAILINGS Standards for Management of Uranium Byproduct Materials Pursuant to Section 84 of the Atomic Energy Act of 1954, as Amended...

  3. 40 CFR 192.33 - Corrective action programs.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... PROGRAMS HEALTH AND ENVIRONMENTAL PROTECTION STANDARDS FOR URANIUM AND THORIUM MILL TAILINGS Standards for Management of Uranium Byproduct Materials Pursuant to Section 84 of the Atomic Energy Act of 1954, as Amended...

  4. Optical perturbation of atoms in weak localization

    NASA Astrophysics Data System (ADS)

    Yedjour, A.

    2018-01-01

    We determine the microscopic transport parameters that are necessary to describe the diffusion process of the atomic gas in optical speckle. We use the self-consistent theory to calculate the self-energy of the atomic gas. We compute the spectral function numerically by an average over disorder realizations in terms of the Greens function. We focus mainly on the behaviour of the energy distribution of the atoms to estimate a correction to the mobility edge. Our results show that the energy distribution of the atoms locates the mobility edge position under the disorder amplitude. This behaviour changes for each disorder parameter. We conclude that the disorder amplitude potential induced modification of the energy distribution of the atoms that plays a major role for the prediction of the mobility edge.

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

    NASA Astrophysics Data System (ADS)

    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

  6. Atomic Spectra Database (ASD)

    National Institute of Standards and Technology Data Gateway

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

    NASA Technical Reports Server (NTRS)

    Milillo, A.; Orsini, S.; Hsieh, K. C.; Baragiola, R.; Fama, M.; Johnson, R.; Mura, A.; Plainaki, Ch.; Sarantos, M.; Cassidy, T. A.; hide

    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

  8. Statistical energy analysis computer program, user's guide

    NASA Technical Reports Server (NTRS)

    Trudell, R. W.; Yano, L. I.

    1981-01-01

    A high frequency random vibration analysis, (statistical energy analysis (SEA) method) is examined. The SEA method accomplishes high frequency prediction of arbitrary structural configurations. A general SEA computer program is described. A summary of SEA theory, example problems of SEA program application, and complete program listing are presented.

  9. Scattering of fast electrons by vapour-atoms and by solid-atoms - A comparison

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Joshipura, K.N.; Mohanan, S.

    1988-08-01

    A comparative theoretical study has been done on the scattering of fast electrons by free (vapour) atoms and bound (solid) atoms, in particular, the alkali atoms, Al and Cu. The Born differential cross-sections (DCS), calculated with the static plus polarization electron-atom potential, are found in general, to be larger for free atoms that for bound atoms, at least at small angles of scattering. For Rb and Cs the two DCS tend to merge at very large angles only. The sample incident energies chosen are 400 eV and above.

  10. Industrial Technologies Program - A Clean, Secure Energy Future via Industrial Energy Efficiency

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    The Industrial Technologies Program (ITP) leads the national effort to save energy and reduce greenhouse gas emissions in the largest energy-using sector of the U.S. economy. ITP drives energy efficiency improvements and carbon dioxide reductions throughout the manufacturing supply chain, helping develop and deploy innovative technologies that transform the way industry uses energy.

  11. 2010 Second Refrigerator Recycling Program NV Energy - Southern Nevada: Program Year 2010

    EPA Pesticide Factsheets

    This measurement and verification report provides measured and verified energy impacts achieved by the Second Refrigerator Recycling Program that NV Energy offered to its customers in southern Nevada during 2010.

  12. Electronic torsional sound in linear atomic chains: Chemical energy transport at 1000 km/s

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kurnosov, Arkady A.; Rubtsov, Igor V.; Maksymov, Andrii O.

    2016-07-21

    We investigate entirely electronic torsional vibrational modes in linear cumulene chains. The carbon nuclei of a cumulene are positioned along the primary axis so that they can participate only in the 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 themore » 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. Theory predictions are consistent with the time-dependent density functional theory calculations. Molecular systems for experimental evaluation of the predictions are proposed.« less

  13. Status of The General Atomics Low Speed Urban Maglev Technology Development Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gurol, S; Baldi, R; Bever, D

    2004-06-16

    This paper presents the status of General Atomics Urban Maglev Program. The development provides an innovative approach for low speed transportation suitable for very challenging urban environments. Permanent magnets arranged in a 'Halbach' array configuration produce a relatively stiff magnetic suspension operating with an air gap of 25 mm. The project has progressed from design and prototype hardware testing, to the construction of a 120-meter full-scale test track, located in San Diego, California. Dynamic testing of the levitation, propulsion and guidance systems is being performed.

  14. A quasi-classical study of energy transfer in collisions of hyperthermal H atoms with SO2 molecules.

    PubMed

    da Silva, Ramon S; Garrido, Juan D; Ballester, Maikel Y

    2017-08-28

    A deep understanding of energy transfer processes in molecular collisions is at central attention in physical chemistry. Particularly vibrational excitation of small molecules colliding with hot light atoms, via a metastable complex formation, has shown to be an efficient manner of enhancing reactivity. A quasi-classical trajectory study of translation-to-vibration energy transfer (T-V ET) in collisions of hyperthermal H( 2 S) atoms with SO 2 (X̃ 1 A ' ) molecules is presented here. For such a study, a double many-body expansion potential energy surface previously reported for HSO 2 ( 2 A) is used. This work was motivated by recent experiments by Ma et al. studying collisions of H + SO 2 at the translational energy of 59 kcal/mol [J. Ma et al., Phys. Rev. A 93, 040702 (2016)]. Calculations reproduce the experimental evidence that during majority of inelastic non-reactive collision processes, there is a metastable intermediate formation (HOSO or HSO 2 ). Nevertheless, the analysis of the trajectories shows that there are two distinct mechanisms in the T-V ET process: direct and indirect. Direct T-V processes are responsible for the high population of SO 2 with relatively low vibrational excitation energy, while indirect ones dominate the conversion from translational energy to high values of the vibrational counterpart.

  15. Analytical dependence of effective atomic number on the elemental composition of matter and radiation energy in the range 10-1000 keV

    NASA Astrophysics Data System (ADS)

    Eritenko, A. N.; Tsvetiansky, A. L.; Polev, A. A.

    2018-01-01

    In the present paper, a universal analytical dependence of effective atomic number on the composition of matter and radiation energy is proposed. This enables one to consider the case of a strong difference in the elemental composition with respect to their atomic numbers over a wide energy range. The contribution of photoelectric absorption and incoherent and coherent scattering during the interaction between radiation and matter is considered. For energy values over 40 keV, the contribution of coherent scattering does not exceed approximately 10% that can be neglected at a further consideration. The effective atomic numbers calculated on the basis of the proposed relationships are compared to the results of calculations based on other methods considered by different authors on the basis of experimental and tabulated data on mass and atomic attenuation coefficients. The examination is carried out for both single-element (e.g., 6C, 14Si, 28Cu, 56Ba, and 82Pb) and multi-element materials. Calculations are performed for W1-xCux alloys (x = 0.35; x = 0.4), PbO, ther moluminescent dosimetry compounds (56Ba, 48Cd, 41Sr, 20Ca, 12Mg, and 11Na), and SO4 in a wide energy range. A case with radiation energy between the K- and L1-absorption edges is considered for 82Pb, 74W, 56Ba, 48Cd, and 38Sr. This enables to substantially simplify the calculation of the atomic number and will be useful in technical and scientific fields related to the interaction between X-ray/gamma radiation and matter.

  16. Theory of ionizing neutrino-atom collisions: The role of atomic recoil

    NASA Astrophysics Data System (ADS)

    Kouzakov, Konstantin A.; Studenikin, Alexander I.

    2016-04-01

    We consider theoretically ionization of an atom by neutrino impact taking into account electromagnetic interactions predicted for massive neutrinos by theories beyond the Standard Model. The effects of atomic recoil in this process are estimated using the one-electron and semiclassical approximations and are found to be unimportant unless the energy transfer is very close to the ionization threshold. We show that the energy scale where these effects become important is insignificant for current experiments searching for magnetic moments of reactor antineutrinos.

  17. Exploratory technology research program for electrochemical energy storage

    NASA Astrophysics Data System (ADS)

    Kinoshita, K.

    1992-06-01

    The U.S. Department of Energy's Office of Propulsion Systems provides support for an electrochemical energy storage program, that includes research and development (R&D) on advanced rechargeable batteries and fuel cells. A major goal of this program is to develop electrochemical power sources suitable for application in electric vehicles. The program centers on advanced systems that offer the potential for high performance and low life-cycle costs. The DOE Electrochemical Energy Storage Program is divided into two projects: the Electric Vehicle Advanced Battery Systems Development (EVABS) Program and the Exploratory Technology Research (ETR) Program. The EVABS Program management responsibility has been assigned to Sandia National Laboratory, and the Lawrence Berkeley Laboratory is responsible for management of the ETR Program. The EVABS and ETR Programs include an integrated matrix of R&D efforts designed to advance progress on several candidate electrochemical systems. The United States Advanced Battery Consortium (USABC), a tripartite undertaking between DOE, the U.S. automobile manufacturers and the Electric Power Research Institute (EPRI), was formed in 1991 to accelerate the development of advanced batteries for consumer EVs. The role of the ETR Program is to perform supporting research on the advanced battery systems under development by the USABC and EVABS Program, and to evaluate new systems with potentially superior performance, durability and/or cost characteristics. The specific goal of the ETR Program is to identify the most promising electrochemical technologies and transfer them to the USABC, the battery industry and/or the EVABS Program for further development and scaleup. This report summarizes the research, financial and management activities relevant to the ETR Program in FY 1991.

  18. State Clean Energy Policies Analysis: State, Utility, and Municipal Loan Programs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lantz, E.

    2010-05-01

    High initial costs can impede the deployment of clean energy technologies. Financing can reduce these costs. And, state, municipal, and utility-sponsored loan programs have emerged to fill the gap between clean energy technology financing needs and private sector lending. In general, public loan programs are more favorable to clean energy technologies than are those offered by traditional lending institutions; however, public loan programs address only the high up-front costs of clean energy systems, and the technology installed under these loan programs rarely supports clean energy production at levels that have a notable impact on the broader energy sector. This reportmore » discusses ways to increase the impact of these loan programs and suggests related policy design considerations.« less

  19. The Quest for Greater Chemical Energy Storage II: On the Relationship between Bond Length and Bond Energy

    NASA Astrophysics Data System (ADS)

    Lindsay, Michael; Buszek, Robert; Boatz, Jerry; Fajardo, Mario

    2017-06-01

    This is the second in a series of papers aimed at exploring the fundamental limitations to chemical energy storage. In the previous work, we summarized the lessons learned in various high energy density materials (HEDM) programs, the different degrees of freedom in which to store energy in materials, and the fundamental limitations and orders of magnitude of the energies involved.1 That discussion focused almost exclusively on the topic of molar energy density (J/mol) from the perspective of the energy of oxidation of the elements and Fritz Zwicky's ``free atom limit.''2 In this talk, we extend the analysis by considering a different, though equally important, aspect of the energy density calculation: the volumetric density of the energetic material. Specifically, we examine how the distances between individual atoms (i.e. intra- and inter-molecular bond lengths) are coupled to (in fact, approximately inversely proportional to) the energy stored in the bonds of the molecule. This relationship further limits the chemical energy that theoretically can be stored in a material below that predicted by the ``free atom limit.'' This talk will give specific examples of the trends with different bonding motifs and the implications to the fundamental limitations of chemical energy storage.

  20. Relativistic corrections for screening effects on the energies of hydrogen-like atoms embedded in plasmas

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Poszwa, A., E-mail: poszwa@matman.uwm.edu.p; Bahar, M. K., E-mail: mussiv58@gmail.com

    2015-01-15

    The influence of relativistic and plasma screening effects on energies of hydrogen-like atoms embedded in plasmas has been studied. The Dirac equation with a more general exponential cosine screened potential has been solved numerically and perturbatively, by employing the direct perturbation theory. Properties of spectra corresponding to bound states and to different sets of the potential parameters have been studied both in nonrelativistic and relativistic approximations. Binding energies, fine-structure splittings, and relativistic energy shifts have been determined as functions of parameters of the potential. The results have been compared with the ones known from the literature.

  1. Energy and Environment Guide to Action - Chapter 4.2: Energy Efficiency Programs

    EPA Pesticide Factsheets

    Provides guidance and recommendations for designing, funding, and implementing effective energy efficiency programs, which provide a range of financial and other incentives to encourage investments in energy-efficient technologies and behavior change.

  2. Towards a controlled-phase gate using Rydberg-dressed atoms

    NASA Astrophysics Data System (ADS)

    Hankin, Aaron; Jau, Yuan-Yu; Biedermann, Grant

    2014-05-01

    We are implementing a controlled-phase gate based on singly trapped neutral atoms whose coupling is mediated by the dipole-dipole interaction of Rydberg states. An off-resonant laser field dresses ground state cesium atoms in a manner conditional on the Rydberg blockade mechanism, providing the required entangling interaction. We will present our progress toward implementing the controlled-phase gate with an analysis of possible sources of decoherence such as RF radiation from wireless communication devices. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  3. Characterization of Incidental Renal Mass With Dual-Energy CT: Diagnostic Accuracy of Effective Atomic Number Maps for Discriminating Nonenhancing Cysts From Enhancing Masses.

    PubMed

    Mileto, Achille; Allen, Brian C; Pietryga, Jason A; Farjat, Alfredo E; Zarzour, Jessica G; Bellini, Davide; Ebner, Lukas; Morgan, Desiree E

    2017-10-01

    The purpose of this study was to assess the diagnostic accuracy of effective atomic number maps reconstructed from dual-energy contrast-enhanced data for discriminating between nonenhancing renal cysts and enhancing masses. Two hundred six patients (128 men, 78 women; mean age, 64 years) underwent a CT renal mass protocol (single-energy unenhanced and dual-energy contrast-enhanced nephrographic imaging) at two different hospitals. For each set of patients, two blinded, independent observers performed measurements on effective atomic number maps from contrast-enhanced dual-energy data. Renal mass assessment on unenhanced and nephrographic images, corroborated by imaging and medical records, was the reference standard. The diagnostic accuracy of effective atomic number maps was assessed with ROC analysis. Significant differences in mean effective atomic numbers (Z eff ) were observed between nonenhancing and enhancing masses (set A, 8.19 vs 9.59 Z eff ; set B, 8.05 vs 9.19 Z eff ; sets combined, 8.13 vs 9.37 Z eff ) (p < 0.0001). An effective atomic number value of 8.36 Z eff was the optimal threshold, rendering an AUC of 0.92 (95% CI, 0.89-0.94), sensitivity of 90.8% (158/174 [95% CI, 85.5-94.7%]), specificity of 85.2% (445/522 [95% CI, 81.9-88.2%]), and overall diagnostic accuracy of 86.6% (603/696 [95% CI, 83.9-89.1%]). Nonenhancing renal cysts, including hyperattenuating cysts, can be discriminated from enhancing masses on effective atomic number maps generated from dual-energy contrast-enhanced CT data. This technique may be of clinical usefulness when a CT protocol for comprehensive assessment of renal masses is not available.

  4. Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies.

    PubMed

    Hansen, Katja; Montavon, Grégoire; Biegler, Franziska; Fazli, Siamac; Rupp, Matthias; Scheffler, Matthias; von Lilienfeld, O Anatole; Tkatchenko, Alexandre; Müller, Klaus-Robert

    2013-08-13

    The accurate and reliable prediction of properties of molecules typically requires computationally intensive quantum-chemical calculations. Recently, machine learning techniques applied to ab initio calculations have been proposed as an efficient approach for describing the energies of molecules in their given ground-state structure throughout chemical compound space (Rupp et al. Phys. Rev. Lett. 2012, 108, 058301). In this paper we outline a number of established machine learning techniques and investigate the influence of the molecular representation on the methods performance. The best methods achieve prediction errors of 3 kcal/mol for the atomization energies of a wide variety of molecules. Rationales for this performance improvement are given together with pitfalls and challenges when applying machine learning approaches to the prediction of quantum-mechanical observables.

  5. Analysis to develop a program for energy-integrated farm systems

    NASA Astrophysics Data System (ADS)

    Eakin, D. E.; Clark, M. A.; Inaba, L. K.; Johnson, K. I.

    1981-09-01

    A program to use renewable energy resources and possibly develop decentralization of energy systems for agriculture is discussed. The program's objective is determined by: (1) an analysis of the technologies that could be utilized to transform renewable farm resources to energy by the year 2000, (2) the quantity of renewable farm resources that are available, and (3) current energy-use patterns. Individual research, development, and demonstration projects are fit into a national program of energy-integrated farm systems on the basis of market need, conversion potential, technological opportunities, and acceptability. Quantification of these factors for the purpose of establishing program guidelines is conducted using the following four precepts: (1) market need is identified by current use of energy for agricultural production; (2) conversion potential is determined by the availability of renewable resources; and (3) technological opportunities are determined by the state-of-the-art methods, techniques, and processes that can convert renewable resources into farm energy.

  6. Method and apparatus for atomic imaging

    DOEpatents

    Saldin, Dilano K.; de Andres Rodriquez, Pedro L.

    1993-01-01

    A method and apparatus for three dimensional imaging of the atomic environment of disordered adsorbate atoms are disclosed. The method includes detecting and measuring the intensity of a diffuse low energy electron diffraction pattern formed by directing a beam of low energy electrons against the surface of a crystal. Data corresponding to reconstructed amplitudes of a wave form is generated by operating on the intensity data. The data corresponding to the reconstructed amplitudes is capable of being displayed as a three dimensional image of an adsorbate atom. The apparatus includes a source of a beam of low energy electrons and a detector for detecting the intensity distribution of a DLEED pattern formed at the detector when the beam of low energy electrons is directed onto the surface of a crystal. A device responsive to the intensity distribution generates a signal corresponding to the distribution which represents a reconstructed amplitude of a wave form and is capable of being converted into a three dimensional image of the atomic environment of an adsorbate atom on the crystal surface.

  7. Doppler-free spectroscopy of the atomic rubidium fine structure using ultrafast spatial coherent control method

    NASA Astrophysics Data System (ADS)

    Kim, Minhyuk; Kim, Kyungtae; Lee, Woojun; Kim, Hyosub; Ahn, Jaewook

    2017-04-01

    Spectral programming solutions for the ultrafast spatial coherent control (USCC) method to resolve the fine-structure energy levels of atomic rubidium are reported. In USCC, a pair of counter-propagating ultrashort laser pulses are programmed to make a two-photon excitation pattern specific to particular transition pathways and atom species, thus allowing the involved transitions resolvable in space simultaneously. With a proper spectral phase and amplitude modulation, USCC has been also demonstrated for the systems with many intermediate energy levels. Pushing the limit of system complexity even further, we show here an experimental demonstration of the rubidium fine-structure excitation pattern resolvable by USCC. The spectral programming solution for the given USCC is achieved by combining a double-V-shape spectral phase function and a set of phase steps, where the former distinguishes the fine structure and the latter prevents resonant transitions. The experimental results will be presented along with its application in conjunction with the Doppler-free frequency-comb spectroscopy for rubidium hyperfine structure measurements. Samsung Science and Technology Foundation [SSTFBA1301-12].

  8. Potential surfaces for O atom-polymer reactions

    NASA Technical Reports Server (NTRS)

    Laskowski, B. C.; Jaffe, R. L.

    1987-01-01

    Ab initio quantum chemistry methods are used to study the energetics of interactions of O atoms with organic compounds. Polyethylene (CH2)n has been chosen as the model system to study the interactions of O(3P) and O(1D) atoms with polymers. In particular, H abstraction is investigated and polyethylene is represented by a C3 (propane) oligomeric model. The gradient method, as implemented in the GRADSCF package of programs, is used to determine the geometries and energies of products and reactants. The saddle point, barrier geometry is determined by minimizing the squares of the gradients of the potential with respect to the internal coordinates. To correctly describe the change in bonding during the reaction at least a two configuration MCSCF (multiconfiguration self consistent field) or GVB (generalized valence bond) wave function has to be used. Basis sets include standard Pople and Dunning sets, however, increased with polarization functions and diffuse p functions on both the C and O atoms. The latter is important due to the O(-) character of the wave function at the saddle point and products. Normal modes and vibrational energy levels are given for the reactants, saddle points and products. Finally, quantitative energetics are obtained by implementing a small CAS (complete active space) approach followed by limited configuration interaction (CI) calculations. Comparisons are made with available experimental data.

  9. Comparison of Building Energy Modeling Programs: Building Loads

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhu, Dandan; Hong, Tianzhen; Yan, Da

    This technical report presented the methodologies, processes, and results of comparing three Building Energy Modeling Programs (BEMPs) for load calculations: EnergyPlus, DeST and DOE-2.1E. This joint effort, between Lawrence Berkeley National Laboratory, USA and Tsinghua University, China, was part of research projects under the US-China Clean Energy Research Center on Building Energy Efficiency (CERC-BEE). Energy Foundation, an industrial partner of CERC-BEE, was the co-sponsor of this study work. It is widely known that large discrepancies in simulation results can exist between different BEMPs. The result is a lack of confidence in building simulation amongst many users and stakeholders. In themore » fields of building energy code development and energy labeling programs where building simulation plays a key role, there are also confusing and misleading claims that some BEMPs are better than others. In order to address these problems, it is essential to identify and understand differences between widely-used BEMPs, and the impact of these differences on load simulation results, by detailed comparisons of these BEMPs from source code to results. The primary goal of this work was to research methods and processes that would allow a thorough scientific comparison of the BEMPs. The secondary goal was to provide a list of strengths and weaknesses for each BEMP, based on in-depth understandings of their modeling capabilities, mathematical algorithms, advantages and limitations. This is to guide the use of BEMPs in the design and retrofit of buildings, especially to support China’s building energy standard development and energy labeling program. The research findings could also serve as a good reference to improve the modeling capabilities and applications of the three BEMPs. The methodologies, processes, and analyses employed in the comparison work could also be used to compare other programs. The load calculation method of each program was analyzed and compared

  10. Atomically-thick two-dimensional crystals: electronic structure regulation and energy device construction.

    PubMed

    Sun, Yongfu; Gao, Shan; Xie, Yi

    2014-01-21

    Atomically-thick two-dimensional crystals can provide promising opportunities to satisfy people's requirement of next-generation flexible and transparent nanodevices. However, the characterization of these low-dimensional structures and the understanding of their clear structure-property relationship encounter many great difficulties, owing to the lack of long-range order in the third dimensionality. In this review, we survey the recent progress in fine structure characterization by X-ray absorption fine structure spectroscopy and also overview electronic structure modulation by density-functional calculations in the ultrathin two-dimensional crystals. In addition, we highlight their structure-property relationship, transparent and flexible device construction as well as wide applications in photoelectrochemical water splitting, photodetectors, thermoelectric conversion, touchless moisture sensing, supercapacitors and lithium ion batteries. Finally, we outline the major challenges and opportunities that face the atomically-thick two-dimensional crystals. It is anticipated that the present review will deepen people's understanding of this field and hence contribute to guide the future design of high-efficiency energy-related devices.

  11. Advancing Efficient All-Electron Electronic Structure Methods Based on Numeric Atom-Centered Orbitals for Energy Related Materials

    NASA Astrophysics Data System (ADS)

    Blum, Volker

    This talk describes recent advances of a general, efficient, accurate all-electron electronic theory approach based on numeric atom-centered orbitals; emphasis is placed on developments related to materials for energy conversion and their discovery. For total energies and electron band structures, we show that the overall accuracy is on par with the best benchmark quality codes for materials, but scalable to large system sizes (1,000s of atoms) and amenable to both periodic and non-periodic simulations. A recent localized resolution-of-identity approach for the Coulomb operator enables O (N) hybrid functional based descriptions of the electronic structure of non-periodic and periodic systems, shown for supercell sizes up to 1,000 atoms; the same approach yields accurate results for many-body perturbation theory as well. For molecular systems, we also show how many-body perturbation theory for charged and neutral quasiparticle excitation energies can be efficiently yet accurately applied using basis sets of computationally manageable size. Finally, the talk highlights applications to the electronic structure of hybrid organic-inorganic perovskite materials, as well as to graphene-based substrates for possible future transition metal compound based electrocatalyst materials. All methods described here are part of the FHI-aims code. VB gratefully acknowledges contributions by numerous collaborators at Duke University, Fritz Haber Institute Berlin, TU Munich, USTC Hefei, Aalto University, and many others around the globe.

  12. U.S. utilities' experiences with the implementation of energy efficiency programs

    NASA Astrophysics Data System (ADS)

    Goss, Courtney

    In the U.S., many electric utility companies are offering demand-side management (DSM) programs to their customers as ways to save money and energy. However, it is challenging to compare these programs between utility companies throughout the U.S. because of the variability of state energy policies. For example, some states in the U.S. have deregulated electricity markets and others do not. In addition, utility companies within a state differ depending on ownership and size. This study examines 12 utilities' experiences with DSM programs and compares the programs' annual energy savings results that the selected utilities reported to the Energy Information Administration (EIA). The 2009 EIA data suggests that DSM program effectiveness is not significantly affected by electricity market deregulation or utility ownership. However, DSM programs seem to generally be more effective when administered by utilities located in states with energy savings requirements and DSM program mandates.

  13. New version: GRASP2K relativistic atomic structure package

    NASA Astrophysics Data System (ADS)

    Jönsson, P.; Gaigalas, G.; Bieroń, J.; Fischer, C. Froese; Grant, I. P.

    2013-09-01

    A revised version of GRASP2K [P. Jönsson, X. He, C. Froese Fischer, I.P. Grant, Comput. Phys. Commun. 177 (2007) 597] is presented. It supports earlier non-block and block versions of codes as well as a new block version in which the njgraf library module [A. Bar-Shalom, M. Klapisch, Comput. Phys. Commun. 50 (1988) 375] has been replaced by the librang angular package developed by Gaigalas based on the theory of [G. Gaigalas, Z.B. Rudzikas, C. Froese Fischer, J. Phys. B: At. Mol. Phys. 30 (1997) 3747, G. Gaigalas, S. Fritzsche, I.P. Grant, Comput. Phys. Commun. 139 (2001) 263]. Tests have shown that errors encountered by njgraf do not occur with the new angular package. The three versions are denoted v1, v2, and v3, respectively. In addition, in v3, the coefficients of fractional parentage have been extended to j=9/2, making calculations feasible for the lanthanides and actinides. Changes in v2 include minor improvements. For example, the new version of rci2 may be used to compute quantum electrodynamic (QED) corrections only from selected orbitals. In v3, a new program, jj2lsj, reports the percentage composition of the wave function in LSJ and the program rlevels has been modified to report the configuration state function (CSF) with the largest coefficient of an LSJ expansion. The bioscl2 and bioscl3 application programs have been modified to produce a file of transition data with one record for each transition in the same format as in ATSP2K [C. Froese Fischer, G. Tachiev, G. Gaigalas, M.R. Godefroid, Comput. Phys. Commun. 176 (2007) 559], which identifies each atomic state by the total energy and a label for the CSF with the largest expansion coefficient in LSJ intermediate coupling. All versions of the codes have been adapted for 64-bit computer architecture. Program SummaryProgram title: GRASP2K, version 1_1 Catalogue identifier: ADZL_v1_1 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/ADZL_v1_1.html Program obtainable from: CPC Program Library

  14. Department of Energy: Nuclear S&T workforce development programs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bingham, Michelle; Bala, Marsha; Beierschmitt, Kelly

    The U.S. Department of Energy (DOE) national laboratories use their expertise in nuclear science and technology (S&T) to support a robust national nuclear S&T enterprise from the ground up. Traditional academic programs do not provide all the elements necessary to develop this expertise, so the DOE has initiated a number of supplemental programs to develop and support the nuclear S&T workforce pipeline. This document catalogs existing workforce development programs that are supported by a number of DOE offices (such as the Offices of Nuclear Energy, Science, Energy Efficiency, and Environmental Management), and by the National Nuclear Security Administration (NNSA) andmore » the Naval Reactor Program. Workforce development programs in nuclear S&T administered through the Department of Homeland Security, the Nuclear Regulatory Commission, and the Department of Defense are also included. The information about these programs, which is cataloged below, is drawn from the program websites. Some programs, such as the Minority Serving Institutes Partnership Programs (MSIPPs) are available through more than one DOE office, so they appear in more than one section of this document.« less

  15. Exploratory Technology Research Program for electrochemical energy storage

    NASA Astrophysics Data System (ADS)

    Kinoshita, Kim

    1994-09-01

    The U.S. Department of Energy's Office of Propulsion Systems provides support for an Electrochemical Energy Storage Program, that includes research and development (R&D) on advanced rechargeable batteries and fuel cells. A major goal of this program is to develop electrochemical power sources suitable for application in electric vehicles (EV's). The program centers on advanced systems that offer the potential for high performance and low life-cycle costs, both of which are necessary to permit significant penetration into commercial markets. The DOE Electrochemical Energy Storage Program is divided into two projects: the Electric Vehicle Advanced Battery Systems (EVABS) Development Program and the Exploratory Technology Research (ETR) Program. The EVABS Program management responsibility has been assigned to Sandia National Laboratories (SNL); Lawrence Berkeley Laboratory (LBL) is responsible for management of the ETR Program. The EVABS and ETR Programs include an integrated matrix of R&D efforts designed to advance progress on selected candidate electrochemical systems. The United States Advanced Battery Consortium (USABC), a tripartite undertaking between DOE, the U.S. automobile manufacturers and the Electric Power Research Institute (EPRI), was formed in 1991 to accelerate the development of advanced batteries for consumer EV's. The role of the FIR Program is to perform supporting research on the advanced battery systems under development by the USABC and EVABS Program, and to evaluate new systems with potentially superior performance, durability and/or cost characteristics. The specific goal of the ETR Program is to identify the most promising electrochemical technologies and transfer them to the USABC, the battery industry and/or the EVABS Program for further development and scale-up. This report summarizes the research, financial and management activities relevant to the ETR Program in CY 1993.

  16. Exploratory Technology Research Program for electrochemical energy storage

    NASA Astrophysics Data System (ADS)

    Kinoshita, Kim

    1994-09-01

    The U.S. Department of Energy's Office of Propulsion Systems provides support for an Electrochemical Energy Storage Program, that includes research and development (R&D) on advanced rechargeable batteries and fuel cells. A major goal of this program is to develop electrochemical power sources suitable for application in electric vehicles (EV's). The program centers on advanced systems that offer the potential for high performance and low life-cycle costs, both of which are necessary to permit significant penetration into commercial markets. The DOE Electrochemical Energy Storage Program is divided into two projects: the Electric Vehicle Advanced Battery Systems (EVABS) Development Program and the Exploratory Technology Research (ETR) Program. The EVABS Program management responsibility has been assigned to Sandia National Laboratories (SNL); Lawrence Berkeley Laboratory (LBL) is responsible for management of the FIR Program. The EVABS and ETR Programs include an integrated matrix of R&D efforts designed to advance progress on selected candidate electrochemical systems. The United States Advanced Battery Consortium (USABC), a tripartite undertaking between DOE, the U.S. automobile manufacturers and the Electric Power Research Institute (EPRI), was formed in 1991 to accelerate the development of advanced batteries for consumer EV's. The role of the FIR Program is to perform supporting research on the advanced battery systems under development by the USABC and EVABS Program, and to evaluate new systems with potentially superior performance, durability and/or cost characteristics. The specific goal of the ETR Program is to identify the most promising electrochemical technologies and transfer them to the USABC, the battery industry and/or the EVABS Program for further development and scale-up. This report summarizes the research, financial and management activities relevant to the ETR Program in CY 1993.

  17. Electron-impact ionization of atomic hydrogen at incident electron energies of 15.6, 17.6, 25, and 40 eV

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Childers, J. G.; James, K. E.; Hughes, M.

    2003-09-01

    Absolute doubly differential cross sections for the electron-impact ionization of atomic hydrogen have been measured from near threshold to intermediate energies. The measurements are calibrated to the well-established, accurate differential cross section for electron-impact excitation of the atomic hydrogen transition H(1{sup 2}S{yields}2{sup 2}S+2{sup 2}P). In these experiments background secondary electrons are suppressed by moving the atomic hydrogen target source to and from the collision region. Measurements cover the incident electron energy range of 14.6-40 eV, for scattering angles of 10 degree sign -120 degree sign and are found to be in very good agreement with the results of the mostmore » advanced theoretical models--the convergent close-coupling model and the exterior complex scaling model.« less

  18. 75 FR 31323 - Energy Efficiency Program: Energy Conservation Standards Furnace Fans: Public Meeting and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-03

    .... EERE-2010-BT-STD-0011] RIN 1904-AC22 Energy Efficiency Program: Energy Conservation Standards Furnace Fans: Public Meeting and Availability of the Framework Document AGENCY: Office of Energy Efficiency and... Energy, Office of Energy Efficiency and Renewable Energy, Building Technologies, EE-2J, 1000 Independence...

  19. Audit Report on "The Department's Management of the ENERGY STAR Program"

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    2009-10-01

    The American Recovery and Reinvestment Act (Recovery Act) authorized about $300 million in consumer rebate incentives for purchases of products rated under the 'ENERGY STAR' Program. ENERGY STAR, a voluntary labeling program established in 1992, provides consumers with energy efficiency data for a range of products so that they can make informed purchase judgments. The overall goal of the program is to encourage consumers to choose energy efficient products, advancing the nationwide goal of reducing energy consumption. The U.S. Environmental Protection Agency (EPA) managed the ENERGY STAR Program on a stand-alone basis until 1996 when it joined forces with themore » Department of Energy (Department). A Memorandum of Cooperation expanded the ENERGY STAR product categories, giving the Department responsibility for overseeing eight product categories such as windows, dishwashers, clothes washers, and refrigerators, while EPA retained responsibility for electronic product categories and heating, ventilating, and cooling equipment. Each agency is responsible for setting product efficiency specifications for those items under its control and for ensuring the proper use of the ENERGY STAR label in the marketplace. In August 2007, the EPA Office of Inspector General issued an audit report identifying significant control weaknesses in EPA's management of ENERGY STAR. The Department, concerned by the findings at EPA and eager to improve its own program, developed an approach to verify adherence to product specifications, ensure proper use of the ENERGY STAR label in the marketplace, and improve the establishment of product specifications. As evidenced by the commitment of $300 million in Recovery Act funds, the ENERGY STAR Program plays an important role in the U.S. efforts to reduce energy consumption. We initiated this audit to determine whether the Department had implemented the actions it announced in 2007 to strengthen the Program. The Department had not implemented

  20. U.S. Department of Energy photovoltaic energy program contract summary, fiscal year 1999

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Surek, T.; Hansen, A.

    2000-02-17

    This report summarizes the in-house and subcontracted research and development (R and D) activities under the National Center for Photovoltaics (NCPV) and US Department of Energy (DOE) National Photovoltaics Program from October 1, 1998, through September 30, 1999 (FY 1999). The mission of the DOE National Photovoltaics Program is to make PV a significant part of the domestic economy as an industry and an energy resource. The two primary goals of the national program are to (1) maintain the US industry's world leadership in research and technology development and (2) help the US industry remain a major, profitable force inmore » the world market. The NCPV is part of the National PV Program and provides leadership and support to the national program toward achieving its mission and goals.« less

  1. Ensuring Teacher Education Program Success through Formative Assessments: An Overview of the Wisconsin K-12 Energy Education Program

    ERIC Educational Resources Information Center

    Lane, Jennie F.; Mollica, Jamie; Windjue, Sara

    2013-01-01

    The Wisconsin K-12 Energy Education Program (KEEP) is a statewide education program located in the Midwest of the United States. The goal of the program is to leverage teacher education to improve and increase energy literacy in Wisconsin's K-12 schools as a means of contributing to statewide energy savings. Created in 1995, the program continues…

  2. Extracting atomic numbers and electron densities from a dual source dual energy CT scanner: experiments and a simulation model.

    PubMed

    Landry, Guillaume; Reniers, Brigitte; Granton, Patrick Vincent; van Rooijen, Bart; Beaulieu, Luc; Wildberger, Joachim E; Verhaegen, Frank

    2011-09-01

    Dual energy CT (DECT) imaging can provide both the electron density ρ(e) and effective atomic number Z(eff), thus facilitating tissue type identification. This paper investigates the accuracy of a dual source DECT scanner by means of measurements and simulations. Previous simulation work suggested improved Monte Carlo dose calculation accuracy when compared to single energy CT for low energy photon brachytherapy, but lacked validation. As such, we aim to validate our DECT simulation model in this work. A cylindrical phantom containing tissue mimicking inserts was scanned with a second generation dual source scanner (SOMATOM Definition FLASH) to obtain Z(eff) and ρ(e). A model of the scanner was designed in ImaSim, a CT simulation program, and was used to simulate the experiment. Accuracy of measured Z(eff) (labelled Z) was found to vary from -10% to 10% from low to high Z tissue substitutes while the accuracy on ρ(e) from DECT was about 2.5%. Our simulation reproduced the experiments within ±5% for both Z and ρ(e). A clinical DECT scanner was able to extract Z and ρ(e) of tissue substitutes. Our simulation tool replicates the experiments within a reasonable accuracy. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

  3. Comparative Study on Hot Atom Coronae of Solar and Extrasolar Planets

    NASA Astrophysics Data System (ADS)

    Shematovich, Valery

    Solar/stellar forcing on the upper atmospheres of the solar and extrasolar planets via both absorption of the XUV (soft X-rays and extreme ultraviolet) radiation and atmospheric sputtering results in the formation of an extended neutral corona populated by the suprathermal (hot) H, C, N, and O atoms (see, e.g., Johnson et al., 2008). The hot corona, in turn, is altered by an inflow of the solar wind/magnetospheric plasma and local pick-up ions onto the planetary exosphere. Such inflow results in the formation of the superthermal atoms (energetic neutral atoms - ENAs) due to the charge exchange with the high-energy precipitating ions and can affect the long-term evolution of the atmosphere due to the atmospheric escape. The origin, kinetics and transport of the suprathermal H, C, N, and O atoms in the transition regions (from thermosphere to exosphere) of the planetary atmospheres are discussed. Reactions of dissociative recombination of the ionospheric ions CO _{2} (+) , CO (+) , O _{2} (+) , and N _{2} (+) with thermal electrons are the main photochemical sources of hot atoms. The dissociation of atmospheric molecules by the solar/stellar XUV radiation and accompanying photoelectron fluxes and the induced exothermic photochemistry are also the important sources of the suprathermal atoms. Such kinetic systems with the non-thermal processes are usually investigated with the different (test particles, DSMC, and hybrid) versions of the kinetic Monte Carlo method. In our studies the kinetic energy distribution functions of suprathermal and superthermal atoms were calculated using the stochastic model of the hot planetary corona (Shematovich, 2004, 2010; Groeller et al., 2014), and the Monte Carlo model (Shematovich et al., 2011, 2013) of the high-energy proton and hydrogen atom precipitation into the atmosphere respectively. These functions allowed us to estimate the space distribution of suprathermals in the planetary transition regions. An application of these

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

    PubMed

    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.

  5. Revised congressional budget request, FY 1982. Conservation and renewable energy program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1981-03-01

    Programs dealing with conservation and renewable energy are reprinted from the Revised Congressional Budget Request FY 1982. From Volume 7, Energy Conservation, information is presented on: buildings and community systems; industrial programs; transportation programs; state and local programs; inventor's program energy conversion technology; energy impact assistance; and residential/commercial retrofit. From Volume 2, Energy Supply Research and Development, information and data are presented on: solar building applications; solar industrial applications; solar power applications; solar information systems; SERI facility; solar international activities; alcohol fuels; geothermal; and hydropower. From Volume 6, Energy Production, Demonstration, and Distribution, information and data on solar energy production,more » demonstration, and distribution are presented. From Volume 3, Energy Supply and R and D Appropriation, information and data on electric energy systems and energy storage systems are included. From Volume 4, information and data are included on geothermal resources development fund. In Volume 5, Power Marketing Administrations, information and data are presented on estimates by appropriations, positions and staff years by appropriation, staffing distribution, and power marketing administrations. Recissions and deferrals for FY 1981 are given. (MCW)« less

  6. Effective atomic numbers and electron densities of bioactive glasses for photon interaction

    NASA Astrophysics Data System (ADS)

    Shantappa, Anil; Hanagodimath, S. M.

    2015-08-01

    This work was carried out to study the nature of mass attenuation coefficient of bioactive glasses for gamma rays. Bioactive glasses are a group of synthetic silica-based bioactive materials with unique bone bonding properties. In the present study, we have calculated the effective atomic number, electron density for photon interaction of some selected bioactive glasses viz., SiO2-Na2O, SiO2-Na2O-CaO and SiO2-Na2O-P2O5 in the energy range 1 keV to 100 MeV. We have also computed the single valued effective atomic number by using XMuDat program. It is observed that variation in effective atomic number (ZPI, eff) depends also upon the weight fractions of selected bioactive glasses and range of atomic numbers of the elements. The results shown here on effective atomic number, electron density will be more useful in the medical dosimetry for the calculation of absorbed dose and dose rate.

  7. Carbon atom and cluster sputtering under low-energy noble gas plasma bombardment

    NASA Astrophysics Data System (ADS)

    Oyarzabal, E.; Doerner, R. P.; Shimada, M.; Tynan, G. R.

    2008-08-01

    Exit-angle resolved carbon atom and cluster (C2 and C3) sputtering yields are measured during different noble gas (Xe, Kr, Ar, Ne, and He) ion bombardments from a plasma, for low incident energies (75-225 eV). A quadrupole mass spectrometer (QMS) is used to detect the fraction of sputtered neutrals that is ionized in the plasma and to obtain the angular distribution by changing the angle between the target normal and the QMS aperture. A one-dimensional Monte Carlo code is used to simulate the interaction of the plasma and the sputtered particles in the region between the sample and the QMS. The effective elastic scattering cross sections of C, C2, and C3 with the different bombarding gas neutrals are obtained by varying the distance between the sample and the QMS and by performing a best fit of the simulation results to the experimental results. The total sputtering yield (C+C2+C3) for each bombarding gas is obtained from weight-loss measurements and the sputtering yield for C, C2, and C3 is then calculated from the integration of the measured angular distribution, taking into account the scattering and ionization of the sputtered particles between the sample and the QMS. We observe undercosine angular distributions of the sputtered atoms and clusters for all the studied bombarding gases and a clear decrease of the atom to cluster (C2 and C3) sputtering ratio as the incident ion mass increases, changing from a carbon atom preferential erosion for the lower incident ion masses (He, Ne, and Ar) to a cluster preferential erosion for the higher incident ion masses (Kr and Xe).

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

    PubMed

    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).

  9. Atomic Power Safety.

    ERIC Educational Resources Information Center

    Hogerton, John F.

    This publication is one of a series of information booklets for the general public published by The United States Atomic Energy Commission. Among the topics discussed are: What is Atomic Power?; What Does Safety Depend On?; Control of Radioactive Material During Operation; Accident Prevention; Containment in the Event of an Accident; Licensing and…

  10. NECAP: NASA's Energy-Cost Analysis Program. Part 1: User's manual

    NASA Technical Reports Server (NTRS)

    Henninger, R. H. (Editor)

    1975-01-01

    The NECAP is a sophisticated building design and energy analysis tool which has embodied within it all of the latest ASHRAE state-of-the-art techniques for performing thermal load calculation and energy usage predictions. It is a set of six individual computer programs which include: response factor program, data verification program, thermal load analysis program, variable temperature program, system and equipment simulation program, and owning and operating cost program. Each segment of NECAP is described, and instructions are set forth for preparing the required input data and for interpreting the resulting reports.

  11. Low-energy Scattering of Positronium by Atoms

    NASA Technical Reports Server (NTRS)

    Ray, Hasi

    2007-01-01

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

  12. Application of low energy ion blocking for adsorption site determination of Na Atoms on a Cu(111) surface

    NASA Astrophysics Data System (ADS)

    Zhang, R.; Makarenko, B.; Bahrim, B.; Rabalais, J. W.

    2010-07-01

    Ion blocking in the low keV energy range is demonstrated to be a sensitive method for probing surface adsorption sites by means of the technique of time-of-flight scattering and recoiling spectroscopy (TOF-SARS). Adsorbed atoms can block the nearly isotropic backscattering of primary ions from surface atoms in the outmost layers of a crystal. The relative adsorption site position can be derived unambiguously by simple geometrical constructs between the adsorbed atom site and the surface atom sites. Classical ion trajectory simulations using the scattering and recoiling imaging code (SARIC) and molecular dynamics (MD) simulations provide the detailed ion trajectories. Herein we present a quantitative analysis of the blocking effects produced by sub-monolayer Na adsorbed on a Cu(111) surface at room temperature. The results show that the Na adsorption site preferences are different at different Na coverages. At a coverage θ = 0.25 monolayer, Na atoms preferentially populate the fcc threefold surface sites with a height of 2.7 ± 0.1 Å above the 1st layer Cu atoms. At a lower coverage of θ = 0.10 monolayer, there is no adsorption site preference for the Na atoms on the Cu(111) surface.

  13. 77 FR 54839 - Energy Efficiency and Conservation Loan Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-09-06

    ... CFR Parts 1710, 1717, 1721, 1724, and 1730 RIN 0572-AC19 Energy Efficiency and Conservation Loan..., proposing policies and procedures for loan and guarantee financial assistance in support of energy efficiency programs (EE Programs) sponsored and implemented by electric utilities for the benefit of rural...

  14. Introducing The Captain Power and The Power Quiz. Energy Education Programs.

    ERIC Educational Resources Information Center

    Niedermeyer, F.; Roberson, E.

    Two energy education programs are described in this informational brochure. Both "Captain Power" for second graders and "Power Quiz" for fifth graders are designed to teach energy concepts and to help students develop and use conservation skills. Program outcomes focus on energy concepts, types of energy, energy costs, energy…

  15. Renewable Energy Certificate Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gwendolyn S. Andersen

    2012-07-17

    This project was primarily to develop and implement a curriculum which will train undergraduate and graduate students at the University seeking a degree as well as training for enrollees in a special certification program to prepare individuals to be employed in a broad range of occupations in the field of renewable energy and energy conservation. Curriculum development was by teams of Saint Francis University Faculty in the Business Administration and Science Departments and industry experts. Students seeking undergraduate and graduate degrees are able to enroll in courses offered within these departments which will combine theory and hands-on training in themore » various elements of wind power development. For example, the business department curriculum areas include economic modeling, finance, contracting, etc. The science areas include meteorology, energy conversion and projection, species identification, habitat protection, field data collection and analysis, etc.« less

  16. Master of Engineering Energy Systems Engineering Program: Smart Campus Energy Systems Demonstration DE-SC0005523

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dodge, Martha; Coulter, John

    2014-09-25

    Program Purpose and Position: The mission of the Master of Engineering in Energy Systems Engineering program is to invigorate the pipeline of new engineering graduates interested in energy oriented careers and thus produce a new generation of technical leaders for the energy and power industries. Over the next decade, nearly 50% of the skilled workers and technical leaders in the gas and electric utility industries will retire -- a much larger void than the current available and qualified professionals could fill [CEWD, 2012 survey]. The Masters of Engineering in Energy System Engineering program provides an opportunity for cross-discipline education formore » graduates interested in a career in the energy industry. It focuses on electric power and the challenges and opportunities to develop a sustainable, reliable and resilient system that meets human needs in an increasingly sustainable manner through the use of environmentally sound energy resources and delivery. Both graduates and employers benefit from a well-trained professional workforce that is ready to hit the road running and be immediately productive in meeting these challenges, through this innovative and unique program.« less

  17. Atomic-scale luminescence measurement and theoretical analysis unveiling electron energy dissipation at a p-type GaAs(110) surface.

    PubMed

    Imada, Hiroshi; Miwa, Kuniyuki; Jung, Jaehoon; Shimizu, Tomoko K; Yamamoto, Naoki; Kim, Yousoo

    2015-09-11

    Luminescence of p-type GaAs was induced by electron injection from the tip of a scanning tunnelling microscope into a GaAs(110) surface. Atomically-resolved photon maps revealed a significant reduction in luminescence intensity at surface electronic states localized near Ga atoms. Theoretical analysis based on first principles calculations and a rate equation approach was performed to describe the perspective of electron energy dissipation at the surface. Our study reveals that non-radiative recombination through the surface states (SS) is a dominant process for the electron energy dissipation at the surface, which is suggestive of the fast scattering of injected electrons into the SS.

  18. Experimental investigations of low-energy (4-40 eV) collisions of O-(2P) ions and O(3P) atoms with surfaces

    NASA Technical Reports Server (NTRS)

    Orient, O. J.; Chutjian, A.; Murad, E.

    1990-01-01

    Using a newly-developed, magnetically confined source, low-energy, ground state oxygen negative ions and neutral atoms are generated. The energy range is variable, and atom and neutrals have been generated at energies varying from 2 eV to 40 eV and higher. It was found that the interaction of these low-energy species with a solid magnesium fluoride target leads to optical emissions in the (at least) visible and infrared regions of the spectrum. Researchers describe y details of the photodetachment source, and present spectra of the neutral and ion glows in the wavelength range 250 to 850 nm (for O/-/) and 600 to 850 nm (for O), and discuss the variability of the emissions for incident energies between 4 and 40 eV.

  19. Program document for Energy Systems Optimization Program 2 (ESOP2). Volume 1: Engineering manual

    NASA Technical Reports Server (NTRS)

    Hamil, R. G.; Ferden, S. L.

    1977-01-01

    The Energy Systems Optimization Program, which is used to provide analyses of Modular Integrated Utility Systems (MIUS), is discussed. Modifications to the input format to allow modular inputs in specified blocks of data are described. An optimization feature which enables the program to search automatically for the minimum value of one parameter while varying the value of other parameters is reported. New program option flags for prime mover analyses and solar energy for space heating and domestic hot water are also covered.

  20. ATOMIC PHYSICS, AN AUTOINSTRUCTIONAL PROGRAM, VOLUME 2, SUPPLEMENT.

    ERIC Educational Resources Information Center

    DETERLINE, WILLIAM A.; KLAUS, DAVID J.

    THE AUTOINSTRUCTIONAL MATERIALS IN THIS TEXT WERE PREPARED FOR USE IN AN EXPERIMENTAL STUDY, OFFERING SELF-TUTORING MATERIAL FOR LEARNING ATOMIC PHYSICS. THE TOPICS COVERED ARE (1) ISOTOPES AND MASS NUMBERS, (2) MEASURING ATOMIC MASS, (3) DISCOVERY OF THE NUCLEUS, (4) STRUCTURE OF THE NUCLEUS, (5) DISCOVERY OF THE NEUTRON, (6) NUCLEAR REACTIONS,…

  1. 75 FR 39678 - Meeting of Energy Services Companies and the Federal Energy Management Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-12

    ... DEPARTMENT OF ENERGY Meeting of Energy Services Companies and the Federal Energy Management... Management Program (FEMP) within the Office of Energy Efficiency and Renewable Energy on the use of high-end... conducted in an informal, conference style. Each participant will be allowed to make a prepared general...

  2. ORNL superconducting technology program for electric energy systems

    NASA Astrophysics Data System (ADS)

    Hawsey, R. A.

    1993-02-01

    The Oak Ridge National Laboratory (ORNL) Superconducting Technology Program is conducted as part of a national effort by the US Department of Energy's (DOE's) Office of Conservation and Renewable Energy to develop the technology base needed by US industry for commercial development of electric power applications of high-temperature superconductivity. The two major elements of this program are wire development and systems development. This document describes the major research and development activities for this program together with related accomplishments. The technical progress reported was summarized from information prepared for the FY-92 Peer Review of Projects, which was conducted by DOE's Office of Program Analysis, Office of Energy Research. This ORNL program is highly leveraged by the staff and other resources of US industry and universities. Interlaboratory teams are also in place on a number of industry-driven projects. Patent disclosures, working group meetings, staff exchanges, and joint publications and presentations ensure that there is technology transfer to US industry. Working together, the collaborative teams are making tremendous progress in solving the scientific and technical issues necessary for the commercialization of long lengths of practical high-temperature superconductor wire and wire products.

  3. Evaluation of Self-Propelled High-Energy Ultrasonic Atomizer on Azoxystrobin and Tebuconazole Application in Sunlit Greenhouse Tomatoes.

    PubMed

    Li, Yan-Jie; Li, Yi-Fan; Chen, Rong-Hua; Li, Xue-Sheng; Pan, Can-Ping; Song, Jian-Li

    2018-05-28

    In this study, a self-propelled high-energy ultrasonic atomizer was evaluated in terms of deposition on the canopy, the loss to the ground, and fungicide residues in cherry tomato and tomato. Artificial collectors fixed to the upper side and underside of the leaves at different depths and heights were used to collect the depositions. A reliable analytical method for determination of azoxystrobin and tebuconazole in artificial collectors and residue samples was developed by using liquid chromatography triple-quadrupole mass spectrometry. The results showed that the atomizer distributed the droplets evenly throughout the greenhouse with good uniformity (CVs below 39%). The ratio of depositions on the internal and external sides was 66⁻83%, and the ratio of depositions on the underside and upper side was 39⁻50%. There were no significant differences in depositions between two different height crops. The residues of azoxystrobin and tebuconazole in tomato and cherry tomato fruits were far below the maximum residue limits at harvest time. In general, self-propelled high-energy ultrasonic atomizer used in a greenhouse could increase the depositions, especially on the underside and internal side of the canopies, and lead to a reduction of operator exposure risk.

  4. Measuring energy-saving retrofits: Experiences from the Texas LoanSTAR program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Haberl, J.S.; Reddy, T.A.; Claridge, D.E.

    1996-02-01

    In 1988 the Governor`s Energy Management Center of Texas received approval from the US Department of Energy to establish a $98.6 million state-wide retrofit demonstration revolving loan program to fund energy-conserving retrofits in state, public school, and local government buildings. As part of this program, a first-of-its-kind, statewide Monitoring and Analysis Program (MAP) was established to verify energy and dollar savings of the retrofits, reduce energy costs by identifying operational and maintenance improvements, improve retrofit selection in future rounds of the LoanSTAR program, and initiate a data base of energy use in institutional and commercial buildings located in Texas. Thismore » report discusses the LoanSTAR MAP with an emphasis on the process of acquiring and analyzing data to measure savings from energy conservation retrofits when budgets are a constraint. This report includes a discussion of the program structure, basic measurement techniques, data archiving and handling, data reporting and analysis, and includes selected examples from LoanSTAR agencies. A summary of the program results for the first two years of monitoring is also included.« less

  5. Industrial energy-efficiency improvement program

    NASA Astrophysics Data System (ADS)

    1980-12-01

    The industrial energy efficiency improvement program to accelerate market penetration of new and emerging industrial technologies is described. Practices which will improve energy efficiency, encourage substitution of more plentiful domestic fuels, and enhance recovery of energy and materials from industrial waste streams are enumerated. Specific reports from the chemicals and allied products; primary metals; petroleum and coal products; stone, clay, and glass, paper and allied products; food and kindred products; fabricated metals; transportation equipment; machinery (except electrical); textile mill products; rubber and miscellaneous plastics; electrical and electronic equipment; lumber and wood; and tobacco products are discussed. A summary on progress in the utilization of recovered materials, and an analysis of industrial fuel mix is presented.

  6. NASA-OAST photovoltaic energy conversion program

    NASA Technical Reports Server (NTRS)

    Mullin, J. P.; Loria, J. C.

    1984-01-01

    The NASA program in photovoltaic energy conversion research is discussed. Solar cells, solar arrays, gallium arsenides, space station and spacecraft power supplies, and state of the art devices are discussed.

  7. The Role of Solar Technology Programs In Meeting Our Energy Needs

    ERIC Educational Resources Information Center

    Valentine, Ivan E.; Larson, Milton E.

    1978-01-01

    Elements to be included in a solar energy technology training program offered in postsecondary institutions are listed. The article examines various present and future energy sources and describes the solar energy system, stressing the immediate need for training programs for solar energy technicians. (MF)

  8. The READY program: Building a global potential energy surface and reactive dynamic simulations for the hydrogen combustion.

    PubMed

    Mogo, César; Brandão, João

    2014-06-30

    READY (REActive DYnamics) is a program for studying reactive dynamic systems using a global potential energy surface (PES) built from previously existing PESs corresponding to each of the most important elementary reactions present in the system. We present an application to the combustion dynamics of a mixture of hydrogen and oxygen using accurate PESs for all the systems involving up to four oxygen and hydrogen atoms. Results at the temperature of 4000 K and pressure of 2 atm are presented and compared with model based on rate constants. Drawbacks and advantages of this approach are discussed and future directions of research are pointed out. Copyright © 2014 Wiley Periodicals, Inc.

  9. Alternate Funding Sources for the International Atomic Energy Agency

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Toomey, Christopher; Wyse, Evan T.; Kurzrok, Andrew J.

    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 executemore » 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

  10. The atomic simulation environment-a Python library for working with atoms.

    PubMed

    Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob; Castelli, Ivano E; Christensen, Rune; Dułak, Marcin; Friis, Jesper; Groves, Michael N; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D; Jennings, Paul C; Bjerre Jensen, Peter; Kermode, James; Kitchin, John R; Leonhard Kolsbjerg, Esben; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Bergmann Maronsson, Jón; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten W

    2017-07-12

    The atomic simulation environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations. In ASE, tasks are fully scripted in Python. The powerful syntax of Python combined with the NumPy array library make it possible to perform very complex simulation tasks. For example, a sequence of calculations may be performed with the use of a simple 'for-loop' construction. Calculations of energy, forces, stresses and other quantities are performed through interfaces to many external electronic structure codes or force fields using a uniform interface. On top of this calculator interface, ASE provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.

  11. The atomic simulation environment—a Python library for working with atoms

    NASA Astrophysics Data System (ADS)

    Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob; Castelli, Ivano E.; Christensen, Rune; Dułak, Marcin; Friis, Jesper; Groves, Michael N.; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D.; Jennings, Paul C.; Bjerre Jensen, Peter; Kermode, James; Kitchin, John R.; Leonhard Kolsbjerg, Esben; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Bergmann Maronsson, Jón; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S.; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten W.

    2017-07-01

    The atomic simulation environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations. In ASE, tasks are fully scripted in Python. The powerful syntax of Python combined with the NumPy array library make it possible to perform very complex simulation tasks. For example, a sequence of calculations may be performed with the use of a simple ‘for-loop’ construction. Calculations of energy, forces, stresses and other quantities are performed through interfaces to many external electronic structure codes or force fields using a uniform interface. On top of this calculator interface, ASE provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.

  12. The NASA Aircraft Energy Efficiency program

    NASA Technical Reports Server (NTRS)

    Klineberg, J. M.

    1979-01-01

    A review is provided of the goals, objectives, and recent progress in each of six aircraft energy efficiency programs aimed at improved propulsive, aerodynamic and structural efficiency for future transport aircraft. Attention is given to engine component improvement, an energy efficient turbofan engine, advanced turboprops, revolutionary gains in aerodynamic efficiency for aircraft of the late 1990s, laminar flow control, and composite primary aircraft structures.

  13. The impact of the International Atomic Energy Agency (IAEA) program on radiation and tissue banking in Indonesia.

    PubMed

    Hilmy, Nazly; Manjas, Menkher; Ferdiansyah; Abbas, Basril; Morales Pedraza, Jorge

    2009-05-01

    In 1986, the National Nuclear Energy Agency (Batan) in Jakarta started the research and development for the setting up of a tissue bank (Batan Research Tissue Bank/BRTB) by preserving fresh amnion or fetal membranes by lyophilisation and then sterilising by gamma irradiation. During the period of 1990 and 2000, three more tissue banks were set up, i.e., Biomaterial Centre in Surabaya, Jamil Tissue Bank in Padang, and Sitanala Tissue Bank in Tangerang. In 1994, BRTB produced bone allografts. The banks established under the IAEA program concentrated its work on the production of amnion, bone and soft tissues allografts, as well as bone xenografts. These tissues (allografts and xenografts) were sterilised using gamma irradiation (about 90%) and the rest were sterilized by ETO and those products have been used in the treatment of patients at more than 50 hospitals in Indonesia. In 2004, those tissue banks produced 8,500 grafts and 5,000 of them were amnion grafts for eye treatment and wound dressing. All of those grafts were used for patients as well as for research. In 2006, the production increased to 9,000 grafts. Although the capacity of those banks can produce more grafts, we are facing problems on getting raw materials from suitable donors. To fulfill the demand of bone grafts we also produced bone xenografts. The impact of the IAEA program in tissue banking activities in Indonesia can be summarised as follows: to support the national program on importing substitutes for medical devices. The price of imported tissues are between US$ 50 and US$ 6,000 per graft. Local tissue bank can produce tissues with the same quality with the price for about 10-30% of the imported tissues.

  14. Patent policies affecting ERDA energy programs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    1976-01-01

    Appendix A, Patent Policy, and Appendix B, Procurement Regulation and Public Comments Thereon, are presented. The sixteen parts of Appendix A are Section 9 of the Nonnuclear Energy Act; Sections 151-160 of the Atomic Energy Act; 1963 Presidential Statement; 1968 Government Patent Policy Report to FCST; Dept. of Justice Minority Report to FCST; 1971 Presidential Statement; Federal Procurement Regulations: Subpart 1-9.1 - Patents; Federal Property Management Regulations: Subpart 104-4.1; Patent Licensing Regulations for AEC-Owned Inventions; Consent Judgement - Nuclear Data v. AEC; Section 112, S. 1283 (1973); Hart - Long Amendment to S. 1283 (1973); Section 7, H.R. 13565 (1974);more » H.R. Rep. No. 1563, Nonnuclear Conference Report; Report on Background Patent Rights; and Revised Report on Background Patent Rights. The four parts of Appendix B are ERDA-PR Temporary Regulations; ERDA-PR Proposed Policies and Procedures; Public Comments Annotated to ERDA-PR; and Written Comments (Letters). (MCW)« less

  15. Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition

    NASA Astrophysics Data System (ADS)

    Parrish, Robert M.; Sherrill, C. David

    2014-07-01

    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

  16. Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Parrish, Robert M.; Sherrill, C. David, E-mail: sherrill@gatech.edu

    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 throughmore » 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

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

    NASA Astrophysics Data System (ADS)

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

    2009-12-01

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

  18. Rutherford-Bohr atom

    NASA Astrophysics Data System (ADS)

    Heilbron, J. L.

    1981-03-01

    Bohr used to introduce his attempts to explain clearly the principles of the quantum theory of the atom with an historical sketch, beginning invariably with the nuclear model proposed by Rutherford. That was sound pedagogy but bad history. The Rutherford-Bohr atom stands in the middle of a line of work initiated by J.J. Thomson and concluded by the invention of quantum mechanics. Thompson's program derived its inspiration from the peculiar emphasis on models characteristic of British physics of the 19th century. Rutherford's atom was a late product of the goals and conceptions of Victorian science. Bohr's modifications, although ultimately fatal to Thomson's program, initially gave further impetus to it. In the early 1920s the most promising approach to an adequate theory of the atom appeared to be the literal and detailed elaboration of the classical mechanics of multiply periodic orbits. The approach succeeded, demonstrating in an unexpected way the force of an argument often advanced by Thomson: because a mechanical model is richer in implications than the considerations for which it was advanced, it can suggest new directions of research that may lead to important discoveries.

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

    NASA Astrophysics Data System (ADS)

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

    2011-10-01

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

  20. Effect of energy transfer from atomic electron shell to an α particle emitted by decaying nucleus

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Igashov, S. Yu., E-mail: igashov@theor.mephi.ru; Tchuvil’sky, Yu. M.

    2016-12-15

    The process of energy transfer from the electron shell of an atom to an α particle propagating through the shell is formulated mathematically. Using the decay of the {sup 226}Ra nucleus as an example, it is demonstrated that this phenomenon increases the α-decay intensity in contrast with other known effects of similar type. Moreover, the α decay of the nucleus is more strongly affected by the energy transfer than by all other effects taken together.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pfaltzgraff, Robert L

    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 rolemore » 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.« less

  2. How large are nonadiabatic effects in atomic and diatomic systems?

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yang, Yubo, E-mail: yyang173@illinois.edu, E-mail: normantubman2015@u.northwestern.edu; Tubman, Norm M., E-mail: yyang173@illinois.edu, E-mail: normantubman2015@u.northwestern.edu; Ceperley, David M.

    2015-09-28

    With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. We report ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

  3. How large are nonadiabatic effects in atomic and diatomic systems?

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yang, Yubo; Kylänpää, Ilkka; Tubman, Norm M.

    2015-09-29

    With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. Here, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. Our report shows the ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

  4. Detailed low-energy electron diffraction analysis of the (4×4) surface structure of C60 on Cu(111): Seven-atom-vacancy reconstruction

    NASA Astrophysics Data System (ADS)

    Xu, Geng; Shi, Xing-Qiang; Zhang, R. Q.; Pai, Woei Wu; Jeng, H. T.; Van Hove, M. A.

    2012-08-01

    A detailed and exhaustive structural analysis by low-energy electron diffraction (LEED) is reported for the C60-induced reconstruction of Cu(111), in the system Cu(111) + (4 × 4)-C60. A wide LEED energy range allows enhanced sensitivity to the crucial C60-metal interface that is buried below the 7-Å-thick molecular layer. The analysis clearly favors a seven-Cu-atom vacancy model (with Pendry R-factor Rp = 0.376) over a one-Cu-atom vacancy model (Rp = 0.608) and over nonreconstructed models (Rp = 0.671 for atop site and Rp = 0.536 for hcp site). The seven-Cu-atom vacancy forms a (4 × 4) lattice of bowl-like holes. In each hole, a C60 molecule can nestle by forming strong bonds (shorter than 2.30 Å) between 15 C atoms of the molecule and 12 Cu atoms of the outermost and second Cu layers.

  5. Lasers, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Hellman, Hal

    This booklet is one of the booklets in the "Understanding the Atom Series" published by the U. S. Atomic Energy Commission for high school science teachers and their students. Basic information for understanding the laser is provided including discussion of the electromagnetic spectrum, radio waves, light and the atom, coherent light, controlled…

  6. 75 FR 23191 - Energy Conservation Program for Consumer Products: Energy Conservation Standards for Certain...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-03

    ...-BT-STD-0005] RIN 1904-AC15 Energy Conservation Program for Consumer Products: Energy Conservation... Conservation Act (EPCA), the U.S. Department of Energy (DOE) is preparing a notice of proposed rulemaking regarding energy conservation standards for certain incandescent reflector lamps (IRLs) that have elliptical...

  7. 75 FR 12144 - Energy Conservation Program for Consumer Products: Energy Conservation Standards for Residential...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-15

    ...-2009-BT-STD-0022] RIN 1904-AC06 Energy Conservation Program for Consumer Products: Energy Conservation... that DOE plans to analyze for purposes of amending energy conservation standards for certain... persons may submit comments, identified by the notice title, the NOPM for Energy Conservation Standards...

  8. Rydberg blockade in three-atom systems

    NASA Astrophysics Data System (ADS)

    Barredo, Daniel; Ravets, Sylvain; Labuhn, Henning; Beguin, Lucas; Vernier, Aline; Chicireanu, Radu; Nogrette, Florence; Lahaye, Thierry; Browaeys, Antoine

    2014-05-01

    The control of individual neutral atoms in arrays of optical tweezers is a promising avenue for quantum science and technology. Here we demonstrate unprecedented control over a system of three Rydberg atoms arranged in linear and triangular configurations. The interaction between Rydberg atoms results in the observation of an almost perfect van der Waals blockade. When the single-atom Rabi frequency for excitation to the Rydberg state is comparable to the interaction energy, we directly observe the anisotropy of the interaction between nD-states. Using the independently measured two-body interaction energy shifts we fully reproduce the dynamics of the three-atom system with a model based on a master equation without any adjustable parameter. Combined with our ability to trap single atoms in arbitrary patterns of 2D arrays of up to 100 traps separated by a few microns, these results are very promising for a scalable implementation of quantum simulation of frustrated quantum magnetism with Rydberg atoms.

  9. Atomic Precision Plasma Processing - Modeling Investigations

    NASA Astrophysics Data System (ADS)

    Rauf, Shahid

    2016-09-01

    Sub-nanometer precision is increasingly being required of many critical plasma processes in the semiconductor industry. Some of these critical processes include atomic layer etch and plasma enhanced atomic layer deposition. Accurate control over ion energy and ion / radical composition is needed during plasma processing to meet the demanding atomic-precision requirements. While improvements in mainstream inductively and capacitively coupled plasmas can help achieve some of these goals, newer plasma technologies can expand the breadth of problems addressable by plasma processing. Computational modeling is used to examine issues relevant to atomic precision plasma processing in this paper. First, a molecular dynamics model is used to investigate atomic layer etch of Si and SiO2 in Cl2 and fluorocarbon plasmas. Both planar surfaces and nanoscale structures are considered. It is shown that accurate control of ion energy in the sub-50 eV range is necessary for atomic scale precision. In particular, if the ion energy is greater than 10 eV during plasma processing, several atomic layers get damaged near the surface. Low electron temperature (Te) plasmas are particularly attractive for atomic precision plasma processing due to their low plasma potential. One of the most attractive options in this regard is energetic-electron beam generated plasma, where Te <0.5 eV has been achieved in plasmas of molecular gases. These low Te plasmas are computationally examined in this paper using a hybrid fluid-kinetic model. It is shown that such plasmas not only allow for sub-5 eV ion energies, but also enable wider range of ion / radical composition. Coauthors: Jun-Chieh Wang, Jason Kenney, Ankur Agarwal, Leonid Dorf, and Ken Collins.

  10. Energy savings opportunity survey. FY85 Energy Engineering Analysis Program. Various locations, Eighth US Army, Korea. Final report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    NONE

    1987-03-01

    This study was prepared as part of the Engineering Energy Analysis Program (EEAP). The EEAP is a Department of Defense (DOD) program which was initiated in the late 1970`s in response to a Presidential Order. The program`s primary goal is to reduce energy consumption within the DOD thereby curbing dependence on foreign non-renewable energy sources, notably oil. The Energy Engineering Analysis Program (EEAP) is administrated by the U.S. Army Corps of Engineers through the Huntsville Division located in Huntsville, Alabama. The EEAP program effort in Korea has consisted of two major studies. The first study occured in 1981 and consistedmore » of basewide energy studies. The scope for these studies included looking at entire camps. The second effort under the EEAP program in Korea is this study. The scope of work for this study includes a total of 63 buildings located at 19 different camps throughout Korea from Taegu to the DMZ (see Figure 1). This study is properly known as an Energy Savings Opportunity Survey (ESOS). Since an ESOS is limited to examining individual buildings, energy savings projects are limited to the scale and complexity of the buildings within the study.« less

  11. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral oxygen

    NASA Astrophysics Data System (ADS)

    Barklem, P. S.

    2018-02-01

    Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals (LCAO) model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model. The method has been extended to include configurations involving excited states of hydrogen using an estimate for the two-electron transition coupling, but this extension was found to not lead to any remarkably high rates. Rate coefficients are calculated for temperatures in the range 1000-20 000 K, and charge transfer and (de)excitation processes involving the first excited S-states, 4s.5So and 4s.3So, are found to have the highest rates. Data are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/vizbin/qcat?J/A+A/610/A57. The data are also available at http://https://github.com/barklem/public-data

  12. A program for solar energy utilization in spain

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Perches-Escandell, J.; Lorsch, H.G.

    1983-06-01

    The Spanish Association of Electric Utilities (UNESA) and the state-owned industrial holding company (INI) have undertaken a 5-year program for the more efficient utilization of energy through solar energy and other energy conserving technologies. Among the tasks undertaken was the design of a solar collector particularly well suited to Spanish conditions. More than 28,000 m/sup 2/ of this collector have been installed, accounting for 42% of the Spanish market over the past three years. In cooperation with the Franklin Research Center of Philadelphia, PA, the UNESA-INI staff has carried out a binational program of solar energy utilization, funded under themore » U.S. -Spanish Treaty of Friendship and Cooperation. As a part of this program, five demonstration projects have been constructed or are under construction. Four of them provide space heating and cooling and service water heating by means of evacuated tube collectors, EPDM collectors, air heating collectors, a water-to-water heat pump, and an absorption chiller; a fifth generates electricity by means of photovoltaic cells.« less

  13. Establishing Priorities for Postsecondary Energy-Related Technology Programs

    ERIC Educational Resources Information Center

    Brooking, Walter J.

    1977-01-01

    Data from a Shell Oil Company forecast of national energy requirements through 1990 and from a national invitational conference on energy-related postsecondary programs are presented under the following headings: Coal mining beneficiation and processing, petroleum extraction and refining, nuclear power production, solar energy, and energy…

  14. Flow Induced Vibration Program at Argonne National Laboratory

    NASA Astrophysics Data System (ADS)

    1984-01-01

    The Argonne National Laboratory's Flow Induced Vibration Program, currently residing in the Laboratory's Components Technology Division is discussed. Throughout its existence, the overall objective of the program was to develop and apply new and/or improved methods of analysis and testing for the design evaluation of nuclear reactor plant components and heat exchange equipment from the standpoint of flow induced vibration. Historically, the majority of the program activities were funded by the US Atomic Energy Commission, the Energy Research and Development Administration, and the Department of Energy. Current DOE funding is from the Breeder Mechanical Component Development Division, Office of Breeder Technology Projects; Energy Conversion and Utilization Technology Program, Office of Energy Systems Research; and Division of Engineering, Mathematical and Geosciences, office of Basic Energy Sciences. Testing of Clinch River Breeder Reactor upper plenum components was funded by the Clinch River Breeder Reactor Plant Project Office. Work was also performed under contract with Foster Wheeler, General Electric, Duke Power Company, US Nuclear Regulatory Commission, and Westinghouse.

  15. 10 CFR Appendix A to Part 605 - The Energy Research Program Office Descriptions

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 4 2013-01-01 2013-01-01 false The Energy Research Program Office Descriptions A Appendix... RESEARCH FINANCIAL ASSISTANCE PROGRAM Pt. 605, App. A Appendix A to Part 605—The Energy Research Program Office Descriptions 1. Basic Energy Sciences This program supports basic science research efforts in a...

  16. 10 CFR Appendix A to Part 605 - The Energy Research Program Office Descriptions

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 4 2014-01-01 2014-01-01 false The Energy Research Program Office Descriptions A Appendix... RESEARCH FINANCIAL ASSISTANCE PROGRAM Pt. 605, App. A Appendix A to Part 605—The Energy Research Program Office Descriptions 1. Basic Energy Sciences This program supports basic science research efforts in a...

  17. 10 CFR Appendix A to Part 605 - The Energy Research Program Office Descriptions

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 4 2012-01-01 2012-01-01 false The Energy Research Program Office Descriptions A Appendix... RESEARCH FINANCIAL ASSISTANCE PROGRAM Pt. 605, App. A Appendix A to Part 605—The Energy Research Program Office Descriptions 1. Basic Energy Sciences This program supports basic science research efforts in a...

  18. 10 CFR Appendix A to Part 605 - The Energy Research Program Office Descriptions

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 4 2011-01-01 2011-01-01 false The Energy Research Program Office Descriptions A Appendix... RESEARCH FINANCIAL ASSISTANCE PROGRAM Pt. 605, App. A Appendix A to Part 605—The Energy Research Program Office Descriptions 1. Basic Energy Sciences This program supports basic science research efforts in a...

  19. Conservation and Renewable Energy Program

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vaughan, K.H.

    1991-05-01

    This bibliography lists reports and selected papers published under the Oak Ridge National Laboratory Conservation and Renewable Energy Program from 1986 through February 1991. Information on documents published prior to 1986 can be obtained from ORNL. Most of the documents in the bibliography are available from Oak Ridge National Laboratory.

  20. Bainbridge Energy Challenge. Energy efficiency and conservation block grant (EECBG) - Better buildings neighborhood program. Final Technical Report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kraus, Yvonne X.

    2014-02-14

    RePower Bainbridge and Bremerton (RePower) is a residential energy-efficiency and conservation program designed to foster a sustainable, clean, and renewable energy economy. The program was a 3.5 year effort in the cities of Bainbridge Island and Bremerton, Washington, to conserve and reduce energy use, establish a trained home performance trade ally network, and create local jobs. RePower was funded through a $4.8 million grant from the US Department of Energy, Better Buildings Program. The grant’s performance period was August 1, 2010 through March 30, 2014.