National Library of Energy BETA

Sample records for inherently governmental functions

  1. Guidance on Inherently Governmental Functions | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Federal law prohibits contractors from performing "inherently governmental functions." This guidance is designed to provide the basic rules applicable to the Department....

  2. Guidance on Inherently Governmental Functions | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Inherently Governmental Functions Guidance on Inherently Governmental Functions Federal law prohibits contractors from performing "inherently governmental functions." This guidance is designed to provide the basic rules applicable to the Department. Specifically, it: (1) identifies general principles for determining whether a function is inherently governmental; (2) lists functions that have been specifically identified as inherently governmental by one or more sources of Federal law,

  3. Microsoft Word - GC Guidance on Inherently Governmental Functions _1-24-11_

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    GC GUIDANCE ON INHERENTLY GOVERNMENTAL FUNCTIONS Federal law prohibits contractors from performing "inherently governmental functions." But determining which functions may be performed by contractors - and which may not - is not always self-evident. The rules are complex and the lines that must be drawn are often quite fine. This can be particularly vexing in an agency like the Department of Energy where contractors perform so many important functions. This guidance is designed to

  4. General Counsel’s Office Issues Guidance on Inherently Governmental Functions

    Broader source: Energy.gov [DOE]

    Today, the Office of the General Counsel issued guidance on the federal prohibition against contractors performing inherently governmental functions.  The guidance sets out the basic rules for what...

  5. OFPP Policy Letter 11-01, Performance of Inherently Governmental and Critical Functions

    Broader source: Energy.gov [DOE]

    On September 12, 2011, the Office of Federal Procurement Policy (OFPP) issued the final version of Policy Letter 11-01, Performance of Inherently Governmental and Critical Functions, with an effective date of October 12, 2011. The Policy Letter includes: updated and revised definitions; examples of functions that are inherently governmental; examples of functions that are closely associated with the performance of inherently governmental functions; and, federal agency responsibilities for implementing the Policy Letter. The Federal Acquisition Regulation (FAR) will be amended to reflect the updated OFPP guidance. Department of Energy guidance will also be updated as necessary. The OFPP Policy Letter is available in its entirety at: http://www.gpo.gov/fdsys/pkg/FR-2011-09-12/pdf/2011-23165.pdf.

  6. General Counsel's Office Issues Guidance on Inherently Governmental...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    General Counsel's Office Issues Guidance on Inherently Governmental Functions General Counsel's Office Issues Guidance on Inherently Governmental Functions February 4, 2011 -...

  7. 2002 DOE Final Inherently Governmental and Commercial Activities Inventory

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    | Department of Energy 2 DOE Final Inherently Governmental and Commercial Activities Inventory 2002 DOE Final Inherently Governmental and Commercial Activities Inventory 2002 DOE Final Inherently Governmental and Commercial Activities Inventory (697.3 KB) More Documents & Publications 2003 DOE IGCA Inventory Data for web.xls� 3REV2004DOEFAIR.xls� N:\My Documents\porfin.pdf�

  8. 2015 Inherently Governmental and Commercial Activity (IGCA) Inventory...

    Energy Savers [EERE]

    Inherently Governmental and Commercial Activity (IGCA) Inventory Submission Guidance 2015 ... Office of Management and Budget's (OMB) 2015 inventory guidance yet, but anticipates ...

  9. 2002 DOE Final Inherently Governmental and Commercial Activities Inventory

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    2 Inherently Governmental and Commercial Activities Inventory 12/23/2002 10:51 AM Org Unit Additional Information 2002ID Agency Bureau Organization unit City StateCode Country Total FTEs FunctionCode Status ReasonCode ReasonSub_Code YrFirstOnInventory YearofCostComapre CIF/FTESavings EstAnnualSavings MEOPerfReview 444 019 05 AL ALBUQUERQUE NM US 15 K999 I 1999 452 019 05 AL ALBUQUERQUE NM US 1 R660 I 1999 436 019 05 AL ALBUQUERQUE NM US 1 Y220 I 1999 437 019 05 AL ALBUQUERQUE NM US 1 Y999 I 1999

  10. 2015 Inherently Governmental and Commercial Activity (IGCA) Inventory

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Submission Guidance | Department of Energy 15 Inherently Governmental and Commercial Activity (IGCA) Inventory Submission Guidance 2015 Inherently Governmental and Commercial Activity (IGCA) Inventory Submission Guidance The Department of Energy (DOE) has not received the Office of Management and Budget's (OMB) 2015 inventory guidance yet, but anticipates that an OMB alert, which is largely a reminder document, will be issued soon. The alert is expected to say Agencies are to use FY2012

  11. Microsoft Word - GC Guidance on Inherently Governmental Functions...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... available at http:www.whitehouse.govombprocurementfairact 2 See FAR Part ... available at http:www.whitehouse.govombcircularsa076a76incltechcorrection. 2 action if its ...

  12. SPECIAL ACQUISITION REQUIREMENTS ─ TYPICAL ISSUES ASSOCIATED WITH PERSONAL SERVICES AND INHERENTLY GOVERNMENTAL FUNCITONS WHEN CONTRACTORS WORK IN THE FEDERAL WORKPLACE

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    -------- -------------------------------- Chapter 37.114 (December 2010) 1 FEDERAL AND CONTRACTOR EMPLOYEE ROLES IN THE FEDERAL WORKPLACE: CONTRACTOR AND CONTRACTOR WORK PRODUCT IDENTIFICATION, INHERENTLY GOVERNMENTAL FUNCTIONS, PERSONAL SERVICES, AND FEDERAL INVOLVEMENT IN CONTRACTOR PERSONNEL DECISIONS References: FAR 7.5, 37.000, 37.103, 37.104, 37.114; DEAR 937; Acquisition Guide 3.1, 9.1, 37.1, 37.2, 70.7 Overview  The purpose of this guide chapter is to aid in establishing effective

  13. 2002 DOE Final Inherently Governmental and Commercial Activities...

    Energy Savers [EERE]

    and Commercial Activities Inventory (697.3 KB) More Documents & Publications 2003 DOE IGCA Inventory Data for web.xls&0; 3REV2004DOEFAIR.xls&0; N:My Documentsporfin.pdf&0;

  14. COGR Council on Governmental Relations

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    COGR COUNCIL ON GOVERNMENTAL RELATIONS an organization of research universities 1200 New York Avenue, N.W., Suite 750, Washington, D.C. 20005 (202) 289-6655/(202) 289-6698 (FAX) BOARD OF DIRECTORS CHAIR DAVID WYNES Emory University MICHAEL AMEY The Johns Hopkins University JAMES BARBRET Wayne State University ELAINE BROCK University of Michigan SUSAN CAMBER University of Washington MICHELLE CHRISTY Massachusetts Institute of Technology KELVIN DROEGEMEIER University of Oklahoma CHARLES LOUIS

  15. Gregory H. Friedman: Before the Committee on Governmental Affairs...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Gregory H. Friedman: Before the Committee on Governmental Affairs U.S. Senate Gregory H. Friedman: Before the Committee on Governmental Affairs U.S. Senate June 10, 1999 Before the...

  16. Gregory H. Friedman: Before the Committee on Governmental Affairs...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    H. Friedman: Before the Committee on Governmental Affairs U.S. Senate June 10, 1999 Before the Committee on Governmental Affairs U.S. Senate Statement of Gregory H. Friedman, ...

  17. Inherent structure of a molten salt

    SciTech Connect (OSTI)

    La Violette, Randall A.; Budzien, Joanne L.; Stillinger, Frank H.

    2000-05-08

    We calculated the inherent structure of a model melt of zinc (II) bromide over a wide range of densities. Stable, metastable, and unstable branches were obtained for the zero temperature pressure-volume isotherm of the inherent structure. The pressure-volume isotherm, the void distribution, and the structure factor were used to identify the spinodal, independent of any model equation of state. (c) 2000 American Institute of Physics.

  18. Before the Senate Homeland Security and Governmental Affairs Subcommittee

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    on Contracting Oversight | Department of Energy Homeland Security and Governmental Affairs Subcommittee on Contracting Oversight Before the Senate Homeland Security and Governmental Affairs Subcommittee on Contracting Oversight Before the Senate Homeland Security and Governmental Affairs Subcommittee on Contracting Oversight By: Ingrid Kolb, Director Office of Management Subject: Improving Federal Contract Auditing 02-01-2011 Final MA Testimony (16.97 KB) More Documents & Publications

  19. Association for Governmental Leasing & Finance (AGLF) | Department of

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy Association for Governmental Leasing & Finance (AGLF) Association for Governmental Leasing & Finance (AGLF) Frequently Asked Questions about Tax-Exempt Municipal Leasing. Author: Association for Governmental Leasing & Finance (AGLF) FAQ About Tax-Exempt Municipal Leasing More Documents & Publications Financing Energy Upgrades for K-12 School Districts Financing Solar PV at Government Sites with PPAs and Public Debt Reduce Risk, Increase Clean Energy: How States and

  20. Model Agreement Between Governmental Entity [State or Local Government] and

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Financial Institution to Establish a Financing Program | Department of Energy Agreement Between Governmental Entity [State or Local Government] and Financial Institution to Establish a Financing Program Model Agreement Between Governmental Entity [State or Local Government] and Financial Institution to Establish a Financing Program Template for loan loss reserve fund agreement. Author: Energy Efficiency and Conservation Block Grant Model Agreement Between Governmental Entity and Financial

  1. Before Senate Committee on Homeland Security and Governmental...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    on Homeland Security and Governmental Affairs, United States Senate By: Michael C. Kane, Chief Human Capital Officer, U.S. Department of Energy Subject: Inspiring Students to...

  2. Sault Ste. Marie Tribe of Chippewa Indians: Governmental Building...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Chippewa Indians Governmental Building Energy Audits & Training in Building Energy Audit ... * Approximately 1,600 Acres Held in Trust * Upper Peninsula - 16,452 Square Miles * ...

  3. Sault Ste. Marie Tribe of Chippewa Indians Governmental Building...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Marie Tribe of Chippewa Indians Governmental Building Energy Audits October 27, 2010 ... Approximately 1,600 Acres Held in Trust Upper Peninsula - 16,452 Square Miles ...

  4. Before the Senate Homeland Security and Governmental Affairs...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Before the Senate Homeland Security and Governmental Affairs Subcommittee on Contracting Oversight By: Ingrid Kolb, Director Office of Management Subject: Improving Federal ...

  5. Apps for Energy Non-Governmental Resource Disclaimer

    Broader source: Energy.gov [DOE]

    The non-governmental resources are provided strictly for education purposes, and should not be considered a complete list of available resources.

  6. Inherently safe in situ uranium recovery.

    SciTech Connect (OSTI)

    Krumhansl, James Lee; Beauheim, Richard Louis; Brady, Patrick Vane; Arnold, Bill Walter; Kanney, Joseph F.; McKenna, Sean Andrew

    2009-05-01

    Expansion of uranium mining in the United States is a concern to some environmental groups and sovereign Native American Nations. An approach which may alleviate some problems is to develop inherently safe in situ uranium recovery ('ISR') technologies. Current ISR technology relies on chemical extraction of trace levels of uranium from aquifers that, once mined, can still contain dissolved uranium and other trace metals that are a health concern. Existing ISR operations are few in number; however, high uranium prices are driving the industry to consider expanding operations nation-wide. Environmental concerns and enforcement of the new 30 ppb uranium drinking water standard may make opening new mining operations more difficult and costly. Here we propose a technological fix: the development of inherently safe in situ recovery (ISISR) methods. The four central features of an ISISR approach are: (1) New 'green' leachants that break down predictably in the subsurface, leaving uranium, and associated trace metals, in an immobile form; (2) Post-leachant uranium/metals-immobilizing washes that provide a backup decontamination process; (3) An optimized well-field design that increases uranium recovery efficiency and minimizes excursions of contaminated water; and (4) A combined hydrologic/geochemical protocol for designing low-cost post-extraction long-term monitoring. ISISR would bring larger amounts of uranium to the surface, leave fewer toxic metals in the aquifer, and cost less to monitor safely - thus providing a 'win-win-win' solution to all stakeholders.

  7. Magnetic latch trigger for inherent shutdown assembly

    DOE Patents [OSTI]

    Sowa, Edmund S.

    1976-01-01

    An inherent shutdown assembly for a nuclear reactor is provided. A neutron absorber is held ready to be inserted into the reactor core by a magnetic latch. The latch includes a magnet whose lines of force are linked by a yoke of material whose Curie point is at the critical temperature of the reactor at which the neutron absorber is to be inserted into the reactor core. The yoke is in contact with the core coolant or fissionable material so that when the coolant or the fissionable material increase in temperature above the Curie point the yoke loses its magnetic susceptibility and the magnetic link is broken, thereby causing the absorber to be released into the reactor core.

  8. Inherently safe in situ uranium recovery

    SciTech Connect (OSTI)

    Krumhansl, James L; Brady, Patrick V

    2014-04-29

    An in situ recovery of uranium operation involves circulating reactive fluids through an underground uranium deposit. These fluids contain chemicals that dissolve the uranium ore. Uranium is recovered from the fluids after they are pumped back to the surface. Chemicals used to accomplish this include complexing agents that are organic, readily degradable, and/or have a predictable lifetime in an aquifer. Efficiency is increased through development of organic agents targeted to complexing tetravalent uranium rather than hexavalent uranium. The operation provides for in situ immobilization of some oxy-anion pollutants under oxidizing conditions as well as reducing conditions. The operation also artificially reestablishes reducing conditions on the aquifer after uranium recovery is completed. With the ability to have the impacted aquifer reliably remediated, the uranium recovery operation can be considered inherently safe.

  9. Enhancing the effectiveness of governmental and non-governmental partnership in natural resources management

    SciTech Connect (OSTI)

    McKay, K.L.; Gow, D.; Brown, C.; Christophersen, K.; Gaylord, E.

    1990-08-01

    The African sub-continent (Sub-Saharan Africa) is a vast continent of mangroves and deserts, rainforests, mountains and, miles upon thousands of miles of flat wooded plains. It is a continent whose people rely directly on its basic natural resources--land, water, soils, animals and vegetation--for their day-to-day subsistence and development. The effects of environmental degradation have taught bilateral and multilateral agencies, non-governmental organizations (NGOs), and national governments harsh lessons about the critical importance of natural resources management to food security and development. The report examines the role of NGO's as resource stewards and explores the relationship between NGO's and donors in the environmental field, with particular reference to experiences from the Natural Resources Management Support Project for Africa and from the literature. Practical guidelines for enhancing the effectiveness of donor- collaboration are suggested. Annexes present case studies of Cameroon, Madagascar, and Mali.

  10. Concept of an inherently-safe high temperature gas-cooled reactor

    SciTech Connect (OSTI)

    Ohashi, Hirofumi; Sato, Hiroyuki; Tachibana, Yukio; Kunitomi, Kazuhiko; Ogawa, Masuro

    2012-06-06

    As the challenge to ensure no harmful release of radioactive materials at the accidents by deterministic approach instead to satisfy acceptance criteria or safety goal for risk by probabilistic approach, new concept of advanced reactor, an inherently-safe high temperature gas-cooled reactor, is proposed based on the experience of the operation of the actual High Temperature Gas-cooled Reactor (HTGR) in Japan, High Temperature Engineering Test Reactor (HTTR), and the design of the commercial plant (GTHTR300), utilizing the inherent safety features of the HTGR (i.e., safety features based on physical phenomena). The safety design philosophy of the inherently-safe HTGR for the safety analysis of the radiological consequences is determined as the confinement of radioactive materials is assured by only inherent safety features without engineered safety features, AC power or prompt actions by plant personnel if the design extension conditions occur. Inherent safety features to prevent the loss or degradation of the confinement function are identified. It is proposed not to apply the probabilistic approach for the evaluation of the radiological consequences of the accidents in the safety analysis because no inherent safety features fail for the mitigation of the consequences of the accidents. Consequently, there are no event sequences to harmful release of radioactive materials if the design extension conditions occur in the inherently-safe HTGR concept. The concept and future R and D items for the inherently-safe HTGR are described in this paper.

  11. Sault Ste. Marie Tribe of Chippewa Indians - Governmental Building...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Indians Governmental Building Energy Audits November 19, 2009 Summary of Sault Tribe ... Approximately 1,600 Acres Held in Trust L a k e H u r o n L a k e S u p e r i o r ...

  12. Plutonium distribution: Summary of public and governmental support issues

    SciTech Connect (OSTI)

    Pasternak, A.

    1995-03-31

    Obtaining strong public and governmental support for the plutonium disposition program and for the projects comprising the selected disposition options will be essential to the success of the program in meeting non-proliferation goals established as national policy. This paper summarizes issues related to public and governmental support for plutonium disposition. Recommendations are offered which rest on two fundamental assumptions: (1) public and political support derive from public trust and confidence, and (2) despite widespread support for U.S. non-proliferation goals, establishing and operating facilities to carry out the program will entail controversy. Documentation for the Administration`s policy on non-proliferation as it relates to plutonium disposition is cited and summarized as background for ongoing planning efforts by the Department of Energy (DOE). Consensus is a reasonable goal for efforts to secure public and governmental support for the plutonium disposition program and its elements; unanimity is very unlikely. The program will be aided by the popular recognition of the importance of the nation`s non-proliferation goals, the potential for an energy dividend if an energy production option is selected ({open_quotes}Swords to Plowshares{close_quotes} metaphor), the possibility of influencing disposition decisions in other countries, and the clear need to do something with the excess material ({open_quotes}the no action alternative{close_quotes} will not suffice).

  13. Inherently Safe In-Situ Uranium Recovery - Energy Innovation Portal

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Industrial Technologies Industrial Technologies Advanced Materials Advanced Materials Find More Like This Return to Search Inherently Safe In-Situ Uranium Recovery Sandia National Laboratories Contact SNL About This Technology Publications: PDF Document Publication Market Sheet (1,140 KB) Technology Marketing SummaryAs uranium mining continues to grow in the United States, so does the concerns over its environmental impact. An approach that may alleviate some of these problems may be in situ

  14. Inherently safe in situ uranium recovery (Patent) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Inherently safe in situ uranium recovery Citation Details In-Document Search Title: Inherently safe in situ uranium recovery An in situ recovery of uranium operation involves...

  15. COLLOQUIUM: Inherently Risky Designs? The History of Soviet Nuclear

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reactors and the Notion of Safety | Princeton Plasma Physics Lab April 13, 2016, 4:15pm to 5:30pm Colloquia MBG Auditorium, PPPL (284 cap.) COLLOQUIUM: Inherently Risky Designs? The History of Soviet Nuclear Reactors and the Notion of Safety Professor Sonja Schmid Virginia Tech Presentation: PDF icon Presentation After the Chernobyl catastrophe in 1986, many asked the question why Soviet nuclear experts chose the RBMK (the "Chernobyl-type reactor") as a standard design for

  16. Bill Reis Named Vice President, Public & Governmental Affairs | Y-12

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    National Security Complex Bill Reis Named Vice ... Bill Reis Named Vice President, Public & Governmental Affairs Posted: October 30, 2013 - 10:15am Bill Reis, Vice President, Public & Governmental Affairs OAK RIDGE, Tenn. - Bill Reis has been appointed Vice President, Public & Governmental Affairs for B&W Y-12. Reis has worked at Y-12 for 30 years in a variety of roles. He most recently served as Vice President for Environment, Safety & Health. During his tenure, B&W

  17. COLLOQUIUM: Inherently Risky Designs? The History of Soviet Nuclear...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    The History of Soviet Nuclear Reactors and the Notion of Safety Professor Sonja Schmid ... designs are chosen not because they are the best or most functional ones available. ...

  18. Mitigation of Severe Accident Consequences Using Inherent Safety Principles

    SciTech Connect (OSTI)

    R. A. Wigeland; J. E. Cahalan

    2009-12-01

    Sodium-cooled fast reactors are designed to have a high level of safety. Events of high probability of occurrence are typically handled without consequence through reliable engineering systems and good design practices. For accidents of lower probability, the initiating events are characterized by larger and more numerous challenges to the reactor system, such as failure of one or more major engineered systems and can also include a failure to scram the reactor in response. As the initiating conditions become more severe, they have the potential for creating serious consequences of potential safety significance, including fuel melting, fuel pin disruption and recriticality. If the progression of such accidents is not mitigated by design features of the reactor, energetic events and dispersal of radioactive materials may result. For severe accidents, there are several approaches that can be used to mitigate the consequences of such severe accident initiators, which typically include fuel pin failures and core disruption. One approach is to increase the reliability of the reactor protection system so that the probability of an ATWS event is reduced to less than 1 x 10-6 per reactor year, where larger accident consequences are allowed, meeting the U.S. NRC goal of relegating such accident consequences as core disruption to these extremely low probabilities. The main difficulty with this approach is to convincingly test and guarantee such increased reliability. Another approach is to increase the redundancy of the reactor scram system, which can also reduce the probability of an ATWS event to a frequency of less than 1 x 10-6 per reactor year or lower. The issues with this approach are more related to reactor core design, with the need for a greater number of control rod positions in the reactor core and the associated increase in complexity of the reactor protection system. A third approach is to use the inherent reactivity feedback that occurs in a fast reactor to

  19. EERE Program Management Guide - Appendix J | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    J EERE Program Management Guide - Appendix J Appendix J provides guidelines for functions that must be performed by government employees (inherently governmental functions). PDF ...

  20. A PROCEDURAL GUIDE FOR THE ACQUISITION OF REAL PROPERTY BY GOVERNMENTAL AGENCIES

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    PROCEDURAL GUIDE FOR THE ACQUISITION OF REAL PROPERTY BY GOVERNMENTAL AGENCIES DEPARTMENT OF JUSTICE LAND AND NATURAL RESOURCES D I V I S I O N 1972 TABLE OF CONTENTS Page Foreword . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . i v I n t r o d u c t o r y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 I . I n i t i a l Steps t o be taken by t h e a c q u i r i n g agency p r i o r t o a c q u i s i t i o n o f t h e l a n d . . . . . . . . . . . . . . . . . . 1 A . I

  1. HOSPITAL VENTILATION STANDARDS AND ENERGY CONSERVATION: A REVIEW OF GOVERNMENTAL AND PRIVATE AGENCY ENERGY CONSERVATION INITIATIVES

    SciTech Connect (OSTI)

    Banks, Robert S.; Rainer, David

    1980-03-01

    This report presents the results of a recent research project originally concerned with review of governmental initiatives for changes to hospital design and operation standards at both the federal and state levels. However. it quickly became apparent that concern with energy conservation was not impacting hospital environmental standards, especially at the state level, irrespective of the energy implications. Consequently, the study was redirected to consider all energy conservation initiatives directed toward design and operating practices unique to the hospital environment. The scope was limited to agency programs (i.e., not undertaken at the initiative of individual hospitals), applicable to non-federal public and private hospitals.

  2. Guidance & Opinions | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    DOE Facilities and by DOE Contractors Opinion on Contractor Participation in the Federal Hiring Process Guidance on Inherently Governmental Functions Guidance on Electric Vehicle...

  3. 2003 DOE IGCA Inventory Data for web.xls

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    3 Commercial and Inherently Governmental FTE Inventory Worksheet Org Unit Additional Information ID Agency Bureau Organization unit City StateCode Country Total FTEs FunctionCode ...

  4. A simplified analysis of uncertainty propagation in inherently controlled ATWS events

    SciTech Connect (OSTI)

    Wade, D.C.

    1987-01-01

    The quasi static approach can be used to provide useful insight concerning the propagation of uncertainties in the inherent response to ATWS events. At issue is how uncertainties in the reactivity coefficients and in the thermal-hydraulics and materials properties propagate to yield uncertainties in the asymptotic temperatures attained upon inherent shutdown. The basic notion to be quantified is that many of the same physical phenomena contribute to both the reactivity increase of power reduction and the reactivity decrease of core temperature rise. Since these reactivities cancel by definition, a good deal of uncertainty cancellation must also occur of necessity. For example, if the Doppler coefficient is overpredicted, too large a positive reactivity insertion is predicted upon power reduction and collapse of the ..delta..T across the fuel pin. However, too large a negative reactivity is also predicted upon the compensating increase in the isothermal core average temperature - which includes the fuel Doppler effect.

  5. Final Technical Report. Sault Tribe Building Efficiency Audits of Tribally-Owned Governmental Buildings and Residential Tribal Housing

    SciTech Connect (OSTI)

    Holt, Jeffrey W.

    2015-03-27

    The Tribe is working to reduce energy consumption and expense in Tribally-owned governmental buildings and low income housing sites. In 2009, the Tribe applied to the U. S. Department of Energy for funding to conduct energy audits of Tribally-owned governmental buildings. Findings from the energy audits would define the extent and types of energy efficiency improvements needed, establish a basis for energy priorities, strategies and action plans, and provide a benchmark for measuring improvements from energy efficiency implementations. In 2010, the DOE awarded a grant in the amount of $95,238 to the Tribe to fund the energy audits of nine governmental buildings and to pay for travel expenses associated with attendance and participation at the DOE annual program reviews. In 2011, the Tribe applied for and was awarded a DOE grant in the amount of $75,509 to conduct energy audits of the remaining 30 Tribally-owned governmental buildings. Repeating mobilization steps performed during the first DOE energy audits grant, the Tribe initiated the second round of governmental building energy audits by completing energy auditor procurement. The selected energy auditor successfully passed DOE debarment and Sault Tribe background clearances. The energy audits contract was awarded to U. P. Engineers and Architects, Inc. of Sault Ste. Marie, Michigan. The Tribe continued mobilizing for the energy audits by providing the energy auditor with one year of electric, gas and water utility invoice copies per building, as well as supplemental building information, such as operating hours. The Tribe also contacted building occupants to coordinate scheduling for the on-site energy audit inspections and arranged for facilities management personnel to guide the energy auditor through the buildings and answer questions regarding building systems.

  6. Sustainable development: Background an represent policy views for governmental agencies, industry, and other specialty groups

    SciTech Connect (OSTI)

    Dickerman, J.A.; Silverman, G.S.

    1995-12-01

    Sustainable development is a phrase that has come into common usage without benefit of clear definition or meaning. Usage very much reflects individual and group perspectives: foresters might consider sustainability in terms of maintaining ecological integrity as part of managing forests for wood harvesting, industry might emphasize pollution control, while government agencies may be looking for new ways to exploit resources on a more continuous basis. Perhaps the greatest commonality among groups considering these issues is that {open_quotes}sustainability{close_quotes} has not been attained but that it needs to occur. The National Association of Environmental Professionals (NAEP) agrees that it is critical to the health of the planet that sustainable development be actively pursued and implemented in international, national, regional, and local policies and practices. To contribute to this effort a {open_quotes}white paper{close_quotes} is being prepared. Its purpose is twofold: (1) to review the existing information from the NAEP Sustainable Development Working Group and the literature and through examination of these policies, to clarify the thinking, what is being done, and what is still needed; and (2) to develop a position and action plan. This action plan should direct NAEP`s actions in making a significant contribution to the national dialog. This paper presents the background and results of the review phase of this white paper development. Representative views on sustainable development policy and practice are presented from three perspectives: governmental agencies, industry, and other specialty groups.

  7. Metal fueled long life fast reactor cores with inherent safety features

    SciTech Connect (OSTI)

    Yokoyama, Tsugio; Ninokata, Hisashi; Endo, Hiroshi

    2007-07-01

    A large fast reactor core concept is proposed that has inherent safety characteristics against both the Unprotected Loss of Flow (ULOF) event and the Unprotected Transient of Over-Power (UTOP) event, where commonly used zirconium alloy metal fuel (U-Pu- Zr) is adopted to achieve a long life cycle length up to 5 years. The burn-up reactivity of the core which is equivalent to the maximum insertion reactivity in the UTOP due to the control rod run-out event at the rated power, is reduced to less than 1 $ by introducing minor actinides to the fuel, while the sodium void reactivity is suppressed to be negative by applying a step core concept, where the inner core height is lower than the outer core height, and by deleting the upper axial blanket. (authors)

  8. Progress in reliability of fast reactor operation and new trends to increased inherent safety

    SciTech Connect (OSTI)

    Merk, Bruno; Stanculescu, Alexander; Chellapandi, Perumal; Hill, Robert

    2015-06-01

    The reasons for the renewed interest in fast reactors and an overview of the progress in sodium cooled fast reactor operation in the last ten years are given. The excellent operational performance of sodium cooled fast reactors in this period is highlighted as a sound basis for the development of new fast reactors. The operational performance of the BN-600 is compared and evaluated against the performance of German light water reactors to assess the reliability. The relevance of feedback effects for safe reactor design is described, and a new method for the enhancement of feedback effects in fast reactors is proposed. Experimental reactors demonstrating the inherent safety of advanced sodium cooled fast reactor designs are described and the potential safety improvements resulting from the use of fine distributed moderating material are discussed.

  9. Coke gasification: the influence and behavior of inherent catalytic mineral matter

    SciTech Connect (OSTI)

    Mihaela Grigore; Richard Sakurovs; David French; Veena Sahajwalla

    2009-04-15

    Gasification of coke contributes to its degradation in the blast furnace. In this study, the effect of gasification on the inherent catalytic minerals in cokes and their reciprocal influence on gasification are investigated. The catalytic mineral phases identified in the cokes used in this study were metallic iron, iron sulfides, and iron oxides. Metallic iron and pyrrhotite were rapidly oxidized during gasification to iron oxide. The catalysts had a strong influence on the apparent rates at the initial stages of reaction. As gasification proceeds, their effect on the reaction rate diminishes as a result of reducing the surface contact between catalyst and carbon matrix because of carbon consumption around the catalyst particles; with extended burnout the reactivity of the coke becomes increasingly dependent on surface area. The reaction rate in the initial stages was also influenced by the particle size of the catalytic minerals; for a given catalytic iron level, the cokes whose catalytic minerals were more finely dispersed had a higher apparent reaction rate than cokes containing larger catalytic particles. Iron, sodium, and potassium in the amorphous phase did not appear to affect the reaction rate. 40 refs., 16 figs., 6 tabs.

  10. Enhancement of the inherent self-protection of the fast sodium reactor cores with oxide fuel

    SciTech Connect (OSTI)

    Eliseev, V.A.; Malisheva, I.V.; Matveev, V.I.; Egorov, A.V.; Maslov, P.A.

    2013-07-01

    With the development and research into the generation IV fast sodium reactors, great attention is paid to the enhancement of the core inherent self-protection characteristics. One of the problems dealt here is connected with the reduction of the reactivity margin so that the control rods running should not result in the core overheating and melting. In this paper we consider the possibilities of improving the core of BN-1200 with oxide fuel by a known method of introducing an axial fertile layer into the core. But unlike earlier studies this paper looks at the possibility of using such a layer not only for improving breeding, but also for reducing sodium void reactivity effect (SVRE). This proposed improvement of the BN-1200 core does not solve the problem of strong interference in control and protection system (CPS) rods of BN-1200, but they reduce significantly the reactivity margin for burn-up compensation. This helps compensate all the reactivity balances in the improved core configurations without violating constraints on SVRE value.

  11. Estimation of Inherent Safety Margins in Loaded Commercial Spent Nuclear Fuel Casks

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Banerjee, Kaushik; Robb, Kevin R.; Radulescu, Georgeta; Scaglione, John M.

    2016-06-15

    We completed a novel assessment to determine the unquantified and uncredited safety margins (i.e., the difference between the licensing basis and as-loaded calculations) available in as-loaded spent nuclear fuel (SNF) casks. This assessment was performed as part of a broader effort to assess issues and uncertainties related to the continued safety of casks during extended storage and transportability following extended storage periods. Detailed analyses crediting the actual as-loaded cask inventory were performed for each of the casks at three decommissioned pressurized water reactor (PWR) sites to determine their characteristics relative to regulatory safety criteria for criticality, thermal, and shielding performance.more » These detailed analyses were performed in an automated fashion by employing a comprehensive and integrated data and analysis tool—Used Nuclear Fuel-Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS). Calculated uncredited criticality margins from 0.07 to almost 0.30 Δkeff were observed; calculated decay heat margins ranged from 4 to almost 22 kW (as of 2014); and significant uncredited transportation dose rate margins were also observed. The results demonstrate that, at least for the casks analyzed here, significant uncredited safety margins are available that could potentially be used to compensate for SNF assembly and canister structural performance related uncertainties associated with long-term storage and subsequent transportation. The results also suggest that these inherent margins associated with how casks are loaded could support future changes in cask licensing to directly or indirectly credit the margins. Work continues to quantify the uncredited safety margins in the SNF casks loaded at other nuclear reactor sites.« less

  12. Inherent Driving Force for Charge Separation in Curved Stacks of Oligothiophenes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wu, Qin

    2015-01-30

    Coexistence of high local charge mobility and an energy gradient can lead to efficient free charge carrier generation from geminate charge transfer states at the donor–acceptor interface in bulk heterojunction organic photovoltaics. It is, however, not clear what polymer microstructures can support such coexistence. Using recent methods from density functional theory, we propose that a stack of similarly curved oligothiophene chains can deliver the requirements for efficient charge separation. Curved stacks are stable because of the polymer’s strong π-stacking ability and because backbone torsions are flexible in neutral chains. However, energy of a charge in a polymer chain has remarkablymore » stronger dependence on torsions. The trend of increasing planarity in curved stacks effectively creates an energy gradient that drives charge in one direction. The curvature of these partially ordered stacks is found to beneficially interact with fullerenes for charge separation. The curved stacks, therefore, are identified as possible building blocks for interfacial structures that lead to efficient free carrier generation in high-performing organic photovoltaic systems.« less

  13. Inherent Driving Force for Charge Separation in Curved Stacks of Oligothiophenes

    SciTech Connect (OSTI)

    Wu, Qin

    2015-01-30

    Coexistence of high local charge mobility and an energy gradient can lead to efficient free charge carrier generation from geminate charge transfer states at the donor–acceptor interface in bulk heterojunction organic photovoltaics. It is, however, not clear what polymer microstructures can support such coexistence. Using recent methods from density functional theory, we propose that a stack of similarly curved oligothiophene chains can deliver the requirements for efficient charge separation. Curved stacks are stable because of the polymer’s strong π-stacking ability and because backbone torsions are flexible in neutral chains. However, energy of a charge in a polymer chain has remarkably stronger dependence on torsions. The trend of increasing planarity in curved stacks effectively creates an energy gradient that drives charge in one direction. The curvature of these partially ordered stacks is found to beneficially interact with fullerenes for charge separation. The curved stacks, therefore, are identified as possible building blocks for interfacial structures that lead to efficient free carrier generation in high-performing organic photovoltaic systems.

  14. Inherently Risky Design?

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Ingrid Ann Christner Kolb About Us Ingrid Ann Christner Kolb - Director, Office of Management Career Highlights Deputy Director, Office of Management, U.S. Department of Energy Chief of Staff, Associate Deputy Secretary, U.S. Department of Energy Chief of Staff, Chief Financial Officer, U.S. Department of Homeland Security (DHS). Chief of Staff, Budget and Evaluation/Chief Financial Officer, Office of Management, U.S. Department of Energy Acting Deputy Director, Demand Reduction, Office of

  15. POLICY FLASH 2015-31 - AL 2015-07 | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    1 - AL 2015-07 POLICY FLASH 2015-31 - AL 2015-07 DATE: July 01, 2015 TO: Procurement Directors/Contracting Officers FROM: Director Contract and Financial Assistance Policy Division Office of Policy office of Acquisition Management SUBJECT: Acquisition Letter No. AL 2015-06, Performance of Inherently Governmental and Critical Functions SUMMARY: Attached is revised Acquisition Letter (AL) No. AL 2015-07, Performance of Inherently Governmental and Critical Functions, dated July 07, 2015. This AL

  16. Effects of local field and inherent strain in reflectance anisotropy spectra of A{sup III}B{sup V} semiconductors with naturally oxidized surfaces

    SciTech Connect (OSTI)

    Berkovits, V. L.; Kosobukin, V. A.; Gordeeva, A. B.

    2015-12-28

    Reflectance anisotropy (RA) spectra of naturally oxidized (001) surfaces of GaAs and InAs crystals are measured for photon energies from 1.5 up to 5.5 eV. The differential high-accuracy RA spectra reveal features substantially different from those caused by either a reconstruction of clean surface or a built-in near-surface electric field. Models of atomic structure with anisotropic transition layers of excess arsenic atoms specific for GaAs(001)/oxide and InAs(001)/oxide interfaces are proposed. In conformity with these models, a general theory of reflectance anisotropy is developed for semiconductor/oxide interfaces within the Green's function technique. The theory takes into account the combined effect of local field due to interface dipoles and of intrinsic near-surface strain of the crystal. Measured RA spectra are analyzed in the model of valence-bond dipoles occupying a rectangular lattice in a multilayer medium. Comparing the measured and calculated spectra, we conclude that RA spectra of oxidized GaAs(001) and InAs(001) surfaces are simultaneously influenced by interface and near-surface anisotropies. The former is responsible for the broad-band spectral features which are associated with polarizability of the valence bonds attached to As atoms at the crystal/oxide interface. The near-surface anisotropy is due to inherent uniaxial straining the near-surface region of crystal. The effect of strain on RA spectra is experimentally and theoretically substantiated for GaAs crystal wafers undergone a uniaxial applied stress. Basically, this work results in the following. It establishes the physical nature of different levels of RA spectra observed in a majority of papers, but never analyzed. It demonstrates how the studied features of RA spectra could be applied for optical characterization of strained interfaces and atomic layers.

  17. FAIR Act Inventory- FY13

    Broader source: Energy.gov [DOE]

    Federal Activities Inventory Reform (FAIR) Act - INHERENTLY GOVERNMENTAL AND COMMERCIAL ACTIVITIES (IGCA) INVENTORY

  18. Utilizing the Inherent Electrolysis in a Chip-Based Nanoelectrospray Emitter System to Facilitate Selective Ionization and Mass Spectrometric Analysis of Metallo Alkylporphyrins

    SciTech Connect (OSTI)

    Van Berkel, Gary J; Kertesz, Vilmos

    2012-01-01

    A commercially available chip-based infusion nanoelectrospray ionization system was used to ionize metallo alkylporphyrins for mass spectrometric detection and structure elucidation by mass spectrometry. Different ionic forms of model compounds (nickel (II), vanadyl (II), copper (II) and cobalt (II) octaethylporphyrin) were created by using two different types of conductive pipette tips supplied with the device. These pipette tips provide the conductive contact to solution at which the electrolysis process inherent to electrospray takes places in the device. The original unmodified, bare carbon-impregnated plastic pipette tips, were exploited to intentionally electrochemically oxidize (ionize) the porphyrins to form molecular radical cations for detection. Use of modified pipette tips, with a surface coating devised to inhibit analyte mass transport to the surface, was shown to limit the ionic species observed in the mass spectra of these porphyrins largely, but not exclusively, to the protonated molecule. Under the conditions of these experiments, the effective upper potential limit for oxidation with the uncoated pipette tip was 1.1 V or less and the coated pipette tips effectively prevented the oxidation of analytes with redox potentials greater than about 0.25 V. Product ion spectra of either molecular ionic species could be used to determine the alkyl chain length on the porphyrin macrocycle. The utility of this electrochemical ionization approach for the analysis of naturally occurring samples was demonstrated using nickel geoporphyrin fractions isolated from Gilsonite bitumen. Acquiring neutral loss spectra as a means to improve the specificity of detection in these complex natural samples was also illustrated.

  19. Wave-function functionals

    SciTech Connect (OSTI)

    Pan Xiaoyin; Slamet, Marlina; Sahni, Viraht

    2010-04-15

    We extend our prior work on the construction of variational wave functions {psi} that are functionals of functions {chi}:{psi}={psi}[{chi}] rather than simply being functions. In this manner, the space of variations is expanded over those of traditional variational wave functions. In this article we perform the constrained search over the functions {chi} chosen such that the functional {psi}[{chi}] satisfies simultaneously the constraints of normalization and the exact expectation value of an arbitrary single- or two-particle Hermitian operator, while also leading to a rigorous upper bound to the energy. As such the wave function functional is accurate not only in the region of space in which the principal contributions to the energy arise but also in the other region of the space represented by the Hermitian operator. To demonstrate the efficacy of these ideas, we apply such a constrained search to the ground state of the negative ion of atomic hydrogen H{sup -}, the helium atom He, and its positive ions Li{sup +} and Be{sup 2+}. The operators W whose expectations are obtained exactly are the sum of the single-particle operators W={Sigma}{sub i}r{sub i}{sup n},n=-2,-1,1,2, W={Sigma}{sub i{delta}}(r{sub i}), W=-(1/2){Sigma}{sub i{nabla}i}{sup 2}, and the two-particle operators W={Sigma}{sub n}u{sup n},n=-2,-1,1,2, where u=|r{sub i}-r{sub j}|. Comparisons with the method of Lagrangian multipliers and of other constructions of wave-function functionals are made. Finally, we present further insights into the construction of wave-function functionals by studying a previously proposed construction of functionals {psi}[{chi}] that lead to the exact expectation of arbitrary Hermitian operators. We discover that analogous to the solutions of the Schroedinger equation, there exist {psi}[{chi}] that are unphysical in that they lead to singular values for the expectations. We also explain the origin of the singularity.

  20. Guidance and Opinions | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Guidance and Opinions Guidance and Opinions Contractor Relations Guidance on Accessing Contractor and Subcontractor Employment Records Arbitration Guidance for Management and Operating Contractors Guidance on Meetings with Union Officials Political Activity at DOE Facilities and by DOE Contractors Opinion on Contractor Participation in the Federal Hiring Process Guidance on Inherently Governmental Functions Guidance on Electric Vehicle Recharging Stations Safety Regulations Interpretations

  1. Functional Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Functional Materials Researchers in NETL's Functional Materials Development competency work to discover and develop advanced functional materials and component processing technologies to meet technology performance requirements and enable scale-up for proof-of-concept studies. Research includes separations materials and electrochemical and magnetic materials, specifically: Separations Materials Synthesis, purification, and basic characterization of organic substances, including polymers and

  2. Pair Creation at Large Inherent Angles

    SciTech Connect (OSTI)

    Chen, P.; Tauchi, T.; Schroeder, D.V.; /SLAC

    2007-04-25

    In the next-generation linear colliders, the low-energy e{sup +}e{sup -} pairs created during the collision of high-energy e{sup +}e{sup -} beams would cause potential deleterious background problems to the detectors. At low collider energies, the pairs are made essentially by the incoherent process, where the pair is created by the interaction of beamstrahlung photons on the individual particles in the oncoming beam. This problem was first identified by Zolotarev, et al[1]. At energies where the beamstrahlung parameter {Upsilon} lies approximately in the range 0.6 {approx}< {Upsilon} {approx}< 100, pair creation from the beamstrahlung photons is dominated by a coherent process, first noted by Chen[2]. The seriousness of this pair creation problem lies in the transverse momenta that the pair particles carry when leaving the interaction point (IP) with large angles. One source of transverse momentum is from the kick by the field of the oncoming beam which results in an outcoming angle {theta} {proportional_to} 1/{radical}x, where x is the fractional energy of the particle relative to the initial beam particle energy[2,3]. As was shown in Ref. 131, there in fact exists an energy threshold for the coherent pairs, where x{sub th} {approx}> 1/2{Upsilon}. Thus within a tolerable exiting angle, there exists an upper limit for {Upsilon} where all coherent pairs would leave the detector through the exhaust port[4]. A somewhat different analysis has been done by Schroeder[5]. In the next generation of linear colliders, as it occurs, the coherent pairs can be exponentially suppressed[2] by properly choosing the {Upsilon}({approx}< 0.6). When this is achieved, the incoherent pairs becomes dominant. Since the central issue is the transverse momentum for particles with large angles, we notice that there is another source for it. Namely, when the pair particles are created at low energies, the intrinsic angles of these pairs when produced may already be large. This issue was first studied in Ref. [1]. In this paper we reinvestigate the problem, following essentially the same equivalent photon approach, but with changes in specific details including the virtual photon spectrum. In addition, various assumptions are made more explicit. The formulas derived are then applied to the collider parameters designed by Palmer[6].

  3. Elementary Functions

    Energy Science and Technology Software Center (OSTI)

    1986-05-01

    The ALTERNATIVE LIBRARY is a library of elementary functions prepared for use with the standard FORTRAN compiler under 4.2 BSD UNIX as an alternative to the standard system library. The library offers improved accuracy as well as additional capabilities. It includes routines ASIN, ACOS, COSH, EXP, LOG, LOG10, POW, SIN, COS, SINH, TAN, and TANH. These alternative routines have slightly modified domains and slightly different responses to invalid arguments. Four routines, not part of themore » standard library, are provided: ADX(X,N), a double-precision function that returns the double-precision argument X scaled by 2 raised to the Nth power; INTXP(X), an integer function that returns as a signed integer the exponent of the double-precision argument X; SETXP(X,N), a double-precision function that returns the double-precision argument X with its exponent replaced by N; and DCOTAN(X), a double-precision function that returns the cotangent of the double-precision argument X, where X is given in radians.« less

  4. 2011 Awards for Project Management | Department of Energy

    Energy Savers [EERE]

    | Department of Energy 2 DOE Final Inherently Governmental and Commercial Activities Inventory 2002 DOE Final Inherently Governmental and Commercial Activities Inventory 2002 DOE Final Inherently Governmental and Commercial Activities Inventory (697.3 KB) More Documents & Publications 2003 DOE IGCA Inventory Data for web.xls&#0; 3REV2004DOEFAIR.xls&#0; N:\My Documents\porfin.pdf&#0;

    2 Program Review Meeting 2002 Program Review Meeting Find information from the Tribal

  5. Function Sequencer

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    mFUSE: Function Sequencer for MATLAB Help Manual LANL/UCSD Engineering Institute LA-CC-10-033 LA-UR 10-01264 c Copyright 2010, Los Alamos National Security, LLC All rights reserved. July 29, 2010 LA-CC-10-033 LA-UR 10-01264 Contents I What is mFUSE? 4 1 Features . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 2 Version Numbers . . . . . . . . . . . . . . . . . . . . . . . . . . 6 3 About This Manual . . . . . . . . . . . . . . . . . . . . . . . . 6 4 Author Information . . . . .

  6. EERE Report, Special Inquiry: "Review of Allegations RegardingHiring...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    an unfair advantage; 2. Performance of inherently governmental duties, including the supervision of Federal employees, by the same contract employee; and, 3. Award of work to a...

  7. Inherent room temperature ferromagnetism and dopant dependent Raman studies of PbSe, Pb{sub 1−x}Cu{sub x}Se, and Pb{sub 1−x}Ni{sub x}Se

    SciTech Connect (OSTI)

    Gayner, Chhatrasal; Kar, Kamal K.

    2015-03-14

    Polycrystalline lead selenide (PbSe) doped with copper (Cu) and nickel (Ni) was prepared to understand its magnetic behaviour and Raman activity. The processing conditions, influence of dopants (magnetically active and non-active) and their respective compositions on the magnetic properties and Raman active mode were studied. A surprising/anomalous room temperature ferromagnetism (hysteresis loop) is noticed in bulk diamagnetic PbSe, which is found to be natural or inherent characteristic of material, and depends on the crystallite size, dopant, and developed strain due to dopant/defects. The magnetic susceptibility (−1.71 × 10{sup −4} emu/mol Oe) and saturated magnetic susceptibility (−2.74 × 10{sup −4} emu/mol Oe) are found to be higher than the earlier reported value (diamagnetic: −1.0 × 10{sup −4} emu/mol Oe) in bulk PbSe. With increase of Cu concentration (2% to 10%) in PbSe, the saturated magnetic susceptibility decreases from −1.22 × 10{sup −4} to −0.85 × 10{sup −4} emu/mol Oe. Whereas for Ni dopant, the saturated magnetic susceptibility increases to −2.96 × 10{sup −4} emu/mol Oe at 2% Ni doped PbSe. But it further decreases with dopant concentration. In these doped PbSe, the shifting of longitudinal (LO) phonon mode was also studied by the Raman spectroscopy. The shifting of LO mode is found to be dopant dependent, and the frequency shift of LO mode is associated with the induced strain that created by the dopants and vacancies. This asymmetry in LO phonon mode (peak shift and shape) may be due to the intraband electronic transition of dopants. The variation in magnetic susceptibility and Raman shifts are sensitive to crystallite size, nature of dopant, concentration of dopants, and induced strain due to dopants.

  8. Microsoft Word - AcqGuide37pt1 binney Nov 2010

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    --------------------------Chapter 37.1 (November 2010) 1 SUPPORT SERVICE CONTRACTING [Reference: FAR Part 37] Overview This section provides a guide for use in the planning and acquisition of support services contracts. Background Support service contracts are a significant portion of the Department's total contracting effort. These types of contracts must be carefully developed and administered to ensure that contractors do not perform inherently Governmental functions or personal services.

  9. Principles of providing inherent self-protection and passive safety characteristics of the SVBR-75/100 type modular reactor installation for nuclear power plants of different capacity and purpose

    SciTech Connect (OSTI)

    Toshinsky, G.I.; Komlev, O.G.; Novikova, N.N.; Tormyshev, I.V.; Stepanov, V.S.; Klimov, N.N.; Dedoul, A.V.

    2007-07-01

    The report presents a brief description of the reactor installation SVBR-75/100, states a concept of providing the RI safety and presents the basic results of the analysis of the most dangerous pre-accidental situations and beyond the design basis accidents, which have been obtained in the process of validating the RI safety. It has been shown that the safety functions concerning the accidental shutdown of the reactor, total blacking out of the NPP and localization of the accidental situation relating to the postulated simultaneous rupture of several steam-generator tubes are not subject to influence of the human factor and are entirely realized in a passive way. (authors)

  10. Wave-function functionals for the density

    SciTech Connect (OSTI)

    Slamet, Marlina; Pan Xiaoyin; Sahni, Viraht

    2011-11-15

    We extend the idea of the constrained-search variational method for the construction of wave-function functionals {psi}[{chi}] of functions {chi}. The search is constrained to those functions {chi} such that {psi}[{chi}] reproduces the density {rho}(r) while simultaneously leading to an upper bound to the energy. The functionals are thereby normalized and automatically satisfy the electron-nucleus coalescence condition. The functionals {psi}[{chi}] are also constructed to satisfy the electron-electron coalescence condition. The method is applied to the ground state of the helium atom to construct functionals {psi}[{chi}] that reproduce the density as given by the Kinoshita correlated wave function. The expectation of single-particle operators W={Sigma}{sub i}r{sub i}{sup n}, n=-2,-1,1,2, W={Sigma}{sub i}{delta}(r{sub i}) are exact, as must be the case. The expectations of the kinetic energy operator W=-(1/2){Sigma}{sub i}{nabla}{sub i}{sup 2}, the two-particle operators W={Sigma}{sub n}u{sup n}, n=-2,-1,1,2, where u=|r{sub i}-r{sub j}|, and the energy are accurate. We note that the construction of such functionals {psi}[{chi}] is an application of the Levy-Lieb constrained-search definition of density functional theory. It is thereby possible to rigorously determine which functional {psi}[{chi}] is closer to the true wave function.

  11. Extracting the Eliashberg Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Extracting the Eliashberg Function Extracting the Eliashberg Function Print Wednesday, 23 February 2005 00:00 A multitude of important chemical, physical, and biological phenomena...

  12. Transportation Organization and Functions

    Broader source: Energy.gov [DOE]

    Office of Packaging and Transportation list of organizations and functions, with a list of acronyms.

  13. Functionalized boron nitride nanotubes

    DOE Patents [OSTI]

    Sainsbury, Toby; Ikuno, Takashi; Zettl, Alexander K

    2014-04-22

    A plasma treatment has been used to modify the surface of BNNTs. In one example, the surface of the BNNT has been modified using ammonia plasma to include amine functional groups. Amine functionalization allows BNNTs to be soluble in chloroform, which had not been possible previously. Further functionalization of amine-functionalized BNNTs with thiol-terminated organic molecules has also been demonstrated. Gold nanoparticles have been self-assembled at the surface of both amine- and thiol-functionalized boron nitride Nanotubes (BNNTs) in solution. This approach constitutes a basis for the preparation of highly functionalized BNNTs and for their utilization as nanoscale templates for assembly and integration with other nanoscale materials.

  14. Sault Ste. Marie Tribe of Chippewa Indians: Governmental Building...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    training at local sites increases participation n Employees want certification credentials n Employees want to upgrade their technology skills Future Plans n Develop energy ...

  15. Bill Reis Named Vice President, Public & Governmental Affairs...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reis is replacing Jud Simmons, who is returning to his responsibilities at The Babcock & Wilcox Company following his assignment as B&W Y-12's acting Director for Public & ...

  16. Model Agreement Between Governmental Entity [State or Local Government...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    and Financial Institution to Establish a Financing Program Template for loan loss reserve fund agreement. Author: Energy Efficiency and Conservation Block Grant PDF icon...

  17. COGR Council on Governmental Relations | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Reducing Regulatory Burden - EO 13563 Retrospective Review Regulatory and Financial Reform of Federal Research Policy: Recommendations to the NRC Committee on Research Universities ...

  18. Category:Non-governmental Organizations | Open Energy Information

    Open Energy Info (EERE)

    H Hogan & Hartson N NC Sustainable Energy Association Northern Colorado Clean Energy Cluster P Practical Action R Rahus Institute Renewable Energy Nongovernmental Organization...

  19. Before the Senate Homeland Security and Governmental Affairs...

    Energy Savers [EERE]

    Office of Procurement and Assistance Management, Office of Management Subject: Cost-Plus Award Fee PDF icon 8-3-09FinalTestimony(Simpson).pdf More Documents & Publications...

  20. Before the Senate Homeland Security and Governmental Affairs...

    Broader source: Energy.gov (indexed) [DOE]

    and International Security By: Richard Kidd, Program Manager Federal Energy Management Program, Office of Energy Efficiency and Renewable Energy Subject: Cutting the Federal...

  1. Portable Special Function Routines

    Energy Science and Technology Software Center (OSTI)

    1992-02-27

    SPECFUN is a collection of transportable FORTRAN subroutines and accompanying test drivers to evaluate certain special functions.

  2. Inherent Errors Associated with Raman Based Thermal Conductivity...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Conference: AEE Student Symposium held August 31, 2012 in Albuqueruqe, NM.; Related Information: Proposed for presentation at the AEE Student Symposium held ...

  3. Inherent secure communications using lattice based waveform design.

    SciTech Connect (OSTI)

    Pugh, Matthew Owen

    2013-12-01

    The wireless communications channel is innately insecure due to the broadcast nature of the electromagnetic medium. Many techniques have been developed and implemented in order to combat insecurities and ensure the privacy of transmitted messages. Traditional methods include encrypting the data via cryptographic methods, hiding the data in the noise floor as in wideband communications, or nulling the signal in the spatial direction of the adversary using array processing techniques. This work analyzes the design of signaling constellations, i.e. modulation formats, to combat eavesdroppers from correctly decoding transmitted messages. It has been shown that in certain channel models the ability of an adversary to decode the transmitted messages can be degraded by a clever signaling constellation based on lattice theory. This work attempts to optimize certain lattice parameters in order to maximize the security of the data transmission. These techniques are of interest because they are orthogonal to, and can be used in conjunction with, traditional security techniques to create a more secure communication channel.

  4. Laterally inherently thin amorphous-crystalline silicon heterojunction photovoltaic cell

    SciTech Connect (OSTI)

    Chowdhury, Zahidur R. Kherani, Nazir P.

    2014-12-29

    This article reports on an amorphous-crystalline silicon heterojunction photovoltaic cell concept wherein the heterojunction regions are laterally narrow and distributed amidst a backdrop of well-passivated crystalline silicon surface. The localized amorphous-crystalline silicon heterojunctions consisting of the laterally thin emitter and back-surface field regions are precisely aligned under the metal grid-lines and bus-bars while the remaining crystalline silicon surface is passivated using the recently proposed facile grown native oxide–plasma enhanced chemical vapour deposited silicon nitride passivation scheme. The proposed cell concept mitigates parasitic optical absorption losses by relegating amorphous silicon to beneath the shadowed metallized regions and by using optically transparent passivation layer. A photovoltaic conversion efficiency of 13.6% is obtained for an untextured proof-of-concept cell illuminated under AM 1.5 global spectrum; the specific cell performance parameters are V{sub OC} of 666 mV, J{sub SC} of 29.5 mA-cm{sup −2}, and fill-factor of 69.3%. Reduced parasitic absorption, predominantly in the shorter wavelength range, is confirmed with external quantum efficiency measurement.

  5. Inherent limitations and current status of the unresolved resonance treatment

    SciTech Connect (OSTI)

    Hwang, R.N.

    1984-01-01

    The two general methods for representing the behavior of the unresolved resonances and the limitations of these methods are discussed. Possible solutions to the problem are considered. 17 references. (WHK)

  6. Boiling water neutronic reactor incorporating a process inherent safety design

    DOE Patents [OSTI]

    Forsberg, Charles W.

    1987-01-01

    A boiling-water reactor core is positioned within a prestressed concrete reactor vessel of a size which will hold a supply of coolant water sufficient to submerge and cool the reactor core by boiling for a period of at least one week after shutdown. Separate volumes of hot, clean (non-borated) water for cooling during normal operation and cool highly borated water for emergency cooling and reactor shutdown are separated by an insulated wall during normal reactor operation with contact between the two water volumes being maintained at interfaces near the top and bottom ends of the reactor vessel. Means are provided for balancing the pressure of the two volumes at the lower interface zone during normal operation to prevent entry of the cool borated water into the reactor core region, for detecting the onset of excessive power to coolant flow conditions in the reactor core and for detecting low water levels of reactor coolant. Cool borated water is permitted to flow into the reactor core when low reactor coolant levels or excessive power to coolant flow conditions are encountered.

  7. Boiling water neutronic reactor incorporating a process inherent safety design

    DOE Patents [OSTI]

    Forsberg, C.W.

    1985-02-19

    A boiling-water reactor core is positioned within a prestressed concrete reactor vessel of a size which will hold a supply of coolant water sufficient to submerge and cool the reactor core by boiling for a period of at least one week after shutdown. Separate volumes of hot, clean (nonborated) water for cooling during normal operation and cool highly borated water for emergency cooling and reactor shutdown are separated by an insulated wall during normal reactor operation with contact between the two water volumes being maintained at interfaces near the top and bottom ends of the reactor vessel. Means are provided for balancing the pressure of the two water volumes at the lower interface zone during normal operation to prevent entry of the cool borated water into the reactor core region, for detecting the onset of excessive power to coolant flow conditions in the reactor core and for detecting low water levels of reactor coolant. Cool borated water is permitted to flow into the reactor core when low reactor coolant levels or excessive power to coolant flow conditions are encountered.

  8. Inherent structure length in metallic glasses: Simplicity behind complexity

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wu, Yuan; Wang, Hui; Cheng, Yongqiang; Liu, Xiongjun; Hui, Xidong; Nieh, Taigang; Wang, Yandong; Lu, Zhaoping

    2015-08-06

    One of the central themes in materials science is the structure-property relationship. In conventional crystalline metals, their mechanical behaviour is often dictated by well-defined structural defects such as dislocations, impurities, and twins. However, the structure-property relationship in amorphous alloys is far from being understood, due to great difficulties in characterizing and describing the disordered atomic-level structure. Here, we report a universal, yet simple, correlation between the macroscopic mechanical properties (i.e., yield strength and shear modulus) and a unique characteristic structural length in metallic glasses (MGs). Lastly, our analysis indicates that this characteristic length can incorporate effects of both the inter-atomicmore » distance and valence electron density in MGs, and result in the observed universal correlation. The current findings shed lights on the basic understanding of mechanical properties of MGs from their disordered atomic structures.« less

  9. Inherent structure length in metallic glasses: Simplicity behind complexity

    SciTech Connect (OSTI)

    Wu, Yuan; Wang, Hui; Cheng, Yongqiang; Liu, Xiongjun; Hui, Xidong; Nieh, Taigang; Wang, Yandong; Lu, Zhaoping

    2015-08-06

    One of the central themes in materials science is the structure-property relationship. In conventional crystalline metals, their mechanical behaviour is often dictated by well-defined structural defects such as dislocations, impurities, and twins. However, the structure-property relationship in amorphous alloys is far from being understood, due to great difficulties in characterizing and describing the disordered atomic-level structure. Here, we report a universal, yet simple, correlation between the macroscopic mechanical properties (i.e., yield strength and shear modulus) and a unique characteristic structural length in metallic glasses (MGs). Lastly, our analysis indicates that this characteristic length can incorporate effects of both the inter-atomic distance and valence electron density in MGs, and result in the observed universal correlation. The current findings shed lights on the basic understanding of mechanical properties of MGs from their disordered atomic structures.

  10. Functionalized expanded porphyrins

    DOE Patents [OSTI]

    Sessler, Jonathan L; Pantos, Patricia J

    2013-11-12

    Disclosed are functionalized expanded porphyrins that can be used as spectrometric sensors for high-valent actinide cations. The disclosed functionalized expanded porphyrins have the advantage over unfunctionalized systems in that they can be immobilized via covalent attachment to a solid support comprising an inorganic or organic polymer or other common substrates. Substrates comprising the disclosed functionalized expanded porphyrins are also disclosed. Further, disclosed are methods of making the disclosed compounds (immobilized and free), methods of using them as sensors to detect high valent actinides, devices that comprise the disclosed compounds, and kits.

  11. Parametric Hazard Function Estimation.

    Energy Science and Technology Software Center (OSTI)

    1999-09-13

    Version 00 Phaze performs statistical inference calculations on a hazard function (also called a failure rate or intensity function) based on reported failure times of components that are repaired and restored to service. Three parametric models are allowed: the exponential, linear, and Weibull hazard models. The inference includes estimation (maximum likelihood estimators and confidence regions) of the parameters and of the hazard function itself, testing of hypotheses such as increasing failure rate, and checking ofmore » the model assumptions.« less

  12. Center for Functional Nanomaterials

    ScienceCinema (OSTI)

    BNL

    2009-09-01

    Staff from Brookhaven's new Center for Functional Nanomaterials (CFN) describe how this advanced facility will focus on the development and understanding of nanoscale materials. The CFN provides state-of-the-art capabilities for the fabrication and study of nanoscale materials, with an emphasis on atomic-level tailoring to achieve desired properties and functions. The overarching scientific theme of the CFN is the development and understanding of nanoscale materials that address the Nation's challenges in energy security.

  13. Extracting the Eliashberg Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Extracting the Eliashberg Function Extracting the Eliashberg Function Print Wednesday, 23 February 2005 00:00 A multitude of important chemical, physical, and biological phenomena are driven by violations of the Born-Oppenheimer approximation (BOA), which decouples electronic from nuclear motion in quantum calculations of solids. Recent advances in experimental techniques combined with ever-growing theoretical capabilities now hold the promise of presenting an unprecedented picture of these

  14. Structure function monitor

    DOE Patents [OSTI]

    McGraw, John T.; Zimmer, Peter C.; Ackermann, Mark R.

    2012-01-24

    Methods and apparatus for a structure function monitor provide for generation of parameters characterizing a refractive medium. In an embodiment, a structure function monitor acquires images of a pupil plane and an image plane and, from these images, retrieves the phase over an aperture, unwraps the retrieved phase, and analyzes the unwrapped retrieved phase. In an embodiment, analysis yields atmospheric parameters measured at spatial scales from zero to the diameter of a telescope used to collect light from a source.

  15. SPECIFYING LED COLOR-TUNABLE PRODUCTS | Department of Energy

    Energy Savers [EERE]

    -------- -------------------------------- Chapter 37.114 (December 2010) 1 FEDERAL AND CONTRACTOR EMPLOYEE ROLES IN THE FEDERAL WORKPLACE: CONTRACTOR AND CONTRACTOR WORK PRODUCT IDENTIFICATION, INHERENTLY GOVERNMENTAL FUNCTIONS, PERSONAL SERVICES, AND FEDERAL INVOLVEMENT IN CONTRACTOR PERSONNEL DECISIONS References: FAR 7.5, 37.000, 37.103, 37.104, 37.114; DEAR 937; Acquisition Guide 3.1, 9.1, 37.1, 37.2, 70.7 Overview  The purpose of this guide chapter is to aid in establishing effective

  16. IGCA Training 2012 | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Training 2012 IGCA Training 2012 IGCA_Training_2012.pptx (431.2 KB) More Documents & Publications 2015 Inherently Governmental and Commercial Activity (IGCA) Inventory Submission Guidance IGCA Inventory Sub Guide 040512 Microsoft Word - IGCA Inventory Sub Guide 031611

  17. N:\\My Documents\\porfin.pdf | Department of Energy

    Office of Environmental Management (EM)

    N:My Documentsporfin.pdf&0; (513.07 KB) More Documents & Publications 3REV2004DOEFAIR.xls&0; 2003 DOE IGCA Inventory Data for web.xls&0; 2002 DOE Final Inherently Governmental ...

  18. 3REV2004DOEFAIR.xls | Department of Energy

    Office of Environmental Management (EM)

    More Documents & Publications N:My Documentsporfin.pdf&0; 2003 DOE IGCA Inventory Data for web.xls&0; 2002 DOE Final Inherently Governmental and Commercial Activities Inventory

  19. rptDOEFairAct2000.PDF | Department of Energy

    Office of Environmental Management (EM)

    KB) More Documents & Publications 2002 DOE Final Inherently Governmental and Commercial Activities Inventory 2003 DOE IGCA Inventory Data for web.xls&0; 3REV2004DOEFAIR.xls&0;

  20. Algal functional annotation tool

    SciTech Connect (OSTI)

    Lopez, D.; Casero, D.; Cokus, S. J.; Merchant, S. S.; Pellegrini, M.

    2012-07-01

    The Algal Functional Annotation Tool is a web-based comprehensive analysis suite integrating annotation data from several pathway, ontology, and protein family databases. The current version provides annotation for the model alga Chlamydomonas reinhardtii, and in the future will include additional genomes. The site allows users to interpret large gene lists by identifying associated functional terms, and their enrichment. Additionally, expression data for several experimental conditions were compiled and analyzed to provide an expression-based enrichment search. A tool to search for functionally-related genes based on gene expression across these conditions is also provided. Other features include dynamic visualization of genes on KEGG pathway maps and batch gene identifier conversion.

  1. Adaptive multiconfigurational wave functions

    SciTech Connect (OSTI)

    Evangelista, Francesco A.

    2014-03-28

    A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff ?. These are constructed from a model space containing determinants with energy relative to that of the most stable determinant no greater than ?. The resulting ?-CI wave function is adaptive, being able to represent both single-reference and multireference electronic states. We also consider a more compact wave function parameterization (?+SD-CI), which is based on a small ?-CI reference and adds a selection of all the singly and doubly excited determinants generated from it. We report two heuristic algorithms to build ?-CI wave functions. The first is based on an approximate prescreening of the full configuration interaction space, while the second performs a breadth-first search coupled with pruning. The ?-CI and ?+SD-CI approaches are used to compute the dissociation curve of N{sub 2} and the potential energy curves for the first three singlet states of C{sub 2}. Special attention is paid to the issue of energy discontinuities caused by changes in the size of the ?-CI wave function along the potential energy curve. This problem is shown to be solvable by smoothing the matrix elements of the Hamiltonian. Our last example, involving the Cu{sub 2}O{sub 2}{sup 2+} core, illustrates an alternative use of the ?-CI method: as a tool to both estimate the multireference character of a wave function and to create a compact model space to be used in subsequent high-level multireference coupled cluster computations.

  2. Algal functional annotation tool

    SciTech Connect (OSTI)

    2012-07-12

    Abstract BACKGROUND: Progress in genome sequencing is proceeding at an exponential pace, and several new algal genomes are becoming available every year. One of the challenges facing the community is the association of protein sequences encoded in the genomes with biological function. While most genome assembly projects generate annotations for predicted protein sequences, they are usually limited and integrate functional terms from a limited number of databases. Another challenge is the use of annotations to interpret large lists of 'interesting' genes generated by genome-scale datasets. Previously, these gene lists had to be analyzed across several independent biological databases, often on a gene-by-gene basis. In contrast, several annotation databases, such as DAVID, integrate data from multiple functional databases and reveal underlying biological themes of large gene lists. While several such databases have been constructed for animals, none is currently available for the study of algae. Due to renewed interest in algae as potential sources of biofuels and the emergence of multiple algal genome sequences, a significant need has arisen for such a database to process the growing compendiums of algal genomic data. DESCRIPTION: The Algal Functional Annotation Tool is a web-based comprehensive analysis suite integrating annotation data from several pathway, ontology, and protein family databases. The current version provides annotation for the model alga Chlamydomonas reinhardtii, and in the future will include additional genomes. The site allows users to interpret large gene lists by identifying associated functional terms, and their enrichment. Additionally, expression data for several experimental conditions were compiled and analyzed to provide an expression-based enrichment search. A tool to search for functionally-related genes based on gene expression across these conditions is also provided. Other features include dynamic visualization of genes on KEGG

  3. Algal functional annotation tool

    Energy Science and Technology Software Center (OSTI)

    2012-07-12

    Abstract BACKGROUND: Progress in genome sequencing is proceeding at an exponential pace, and several new algal genomes are becoming available every year. One of the challenges facing the community is the association of protein sequences encoded in the genomes with biological function. While most genome assembly projects generate annotations for predicted protein sequences, they are usually limited and integrate functional terms from a limited number of databases. Another challenge is the use of annotations tomore » interpret large lists of 'interesting' genes generated by genome-scale datasets. Previously, these gene lists had to be analyzed across several independent biological databases, often on a gene-by-gene basis. In contrast, several annotation databases, such as DAVID, integrate data from multiple functional databases and reveal underlying biological themes of large gene lists. While several such databases have been constructed for animals, none is currently available for the study of algae. Due to renewed interest in algae as potential sources of biofuels and the emergence of multiple algal genome sequences, a significant need has arisen for such a database to process the growing compendiums of algal genomic data. DESCRIPTION: The Algal Functional Annotation Tool is a web-based comprehensive analysis suite integrating annotation data from several pathway, ontology, and protein family databases. The current version provides annotation for the model alga Chlamydomonas reinhardtii, and in the future will include additional genomes. The site allows users to interpret large gene lists by identifying associated functional terms, and their enrichment. Additionally, expression data for several experimental conditions were compiled and analyzed to provide an expression-based enrichment search. A tool to search for functionally-related genes based on gene expression across these conditions is also provided. Other features include dynamic visualization of genes on

  4. GADRAS Detector Response Function.

    SciTech Connect (OSTI)

    Mitchell, Dean J.; Harding, Lee; Thoreson, Gregory G; Horne, Steven M.

    2014-11-01

    The Gamma Detector Response and Analysis Software (GADRAS) applies a Detector Response Function (DRF) to compute the output of gamma-ray and neutron detectors when they are exposed to radiation sources. The DRF is fundamental to the ability to perform forward calculations (i.e., computation of the response of a detector to a known source), as well as the ability to analyze spectra to deduce the types and quantities of radioactive material to which the detectors are exposed. This document describes how gamma-ray spectra are computed and the significance of response function parameters that define characteristics of particular detectors.

  5. Process for functionalizing alkanes

    DOE Patents [OSTI]

    Bergman, R.G.; Janowicz, A.H.; Periana, R.A.

    1988-05-24

    Process for functionalizing saturated hydrocarbons comprises: (a) reacting said saturated hydrocarbons of the formula: R[sub 1]H wherein H represents a hydrogen atom; and R[sub 1] represents a saturated hydrocarbon radical, with a metal complex of the formula: CpRh[P(R[sub 2])[sub 3

  6. Process for functionalizing alkanes

    DOE Patents [OSTI]

    Bergman, R.G.; Janowicz, A.H.; Periana-Pillai, R.A.

    1984-06-12

    Process for functionalizing saturated hydrocarbons selectively in the terminal position comprises: (a) reacting said saturated hydrocarbons with a metal complex CpRhPMe/sub 3/H/sub 2/ in the presence of ultraviolet radiation at -60/sup 0/ to -17/sup 0/C to form a hydridoalkyl complex CpRhPMe/sub 3/RH; (b) reacting said hydridoalkyl complex with a haloform CHX/sub 3/ at -60/sup 0/ to -17/sup 0/C to form the corresponding haloalkyl complex of step (a) CpRhPMe/sub 3/RX; and (c) reacting said haloalkyl complex with halogen -60 to 25/sup 0/C to form a functional haloalkyl compound.

  7. Extracting the Eliashberg Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Extracting the Eliashberg Function Print A multitude of important chemical, physical, and biological phenomena are driven by violations of the Born-Oppenheimer approximation (BOA), which decouples electronic from nuclear motion in quantum calculations of solids. Recent advances in experimental techniques combined with ever-growing theoretical capabilities now hold the promise of presenting an unprecedented picture of these violations. By means of high-resolution angle-resolved photoemission at

  8. Extracting the Eliashberg Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Extracting the Eliashberg Function Print A multitude of important chemical, physical, and biological phenomena are driven by violations of the Born-Oppenheimer approximation (BOA), which decouples electronic from nuclear motion in quantum calculations of solids. Recent advances in experimental techniques combined with ever-growing theoretical capabilities now hold the promise of presenting an unprecedented picture of these violations. By means of high-resolution angle-resolved photoemission at

  9. Extracting the Eliashberg Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Extracting the Eliashberg Function Print A multitude of important chemical, physical, and biological phenomena are driven by violations of the Born-Oppenheimer approximation (BOA), which decouples electronic from nuclear motion in quantum calculations of solids. Recent advances in experimental techniques combined with ever-growing theoretical capabilities now hold the promise of presenting an unprecedented picture of these violations. By means of high-resolution angle-resolved photoemission at

  10. Extracting the Eliashberg Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Extracting the Eliashberg Function Print A multitude of important chemical, physical, and biological phenomena are driven by violations of the Born-Oppenheimer approximation (BOA), which decouples electronic from nuclear motion in quantum calculations of solids. Recent advances in experimental techniques combined with ever-growing theoretical capabilities now hold the promise of presenting an unprecedented picture of these violations. By means of high-resolution angle-resolved photoemission at

  11. Extracting the Eliashberg Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Extracting the Eliashberg Function Print A multitude of important chemical, physical, and biological phenomena are driven by violations of the Born-Oppenheimer approximation (BOA), which decouples electronic from nuclear motion in quantum calculations of solids. Recent advances in experimental techniques combined with ever-growing theoretical capabilities now hold the promise of presenting an unprecedented picture of these violations. By means of high-resolution angle-resolved photoemission at

  12. Process for functionalizing alkanes

    DOE Patents [OSTI]

    Bergman, Robert G.; Janowicz, Andrew H.; Periana, Roy A.

    1988-01-01

    Process for functionalizing saturated hydrocarbons comprising: (a) reacting said saturated hydrocarbons of the formula: R.sub.1 H wherein H represents a hydrogen atom; and R.sub.1 represents a saturated hydrocarbon radical, with a metal complex of the formula: CpRh[P(R.sub.2).sub.3 ]H.sub.2 wherein Cp represents a cyclopentadienyl or alkylcyclopentadienyl radical; Rh represents a rhodium atom; P represents a phosphorus atom; R.sub.2 represents a hydrocarbon radical; H represents a hydrogen atom, in the presence of ultraviolet radiation to form a hydridoalkyl complex of the formula: CpRh[P(R.sub.2).sub.3 ](R.sub.1)H (b) reacting said hydridoalkyl complex with an organic halogenating agent such as a tetrahalomethane or a haloform of the formulas: CX'X''X'''X'''' or CHX'X''X''' wherein X', X'', X'", X"" represent halogens selected from bromine, iodine or chlorine atom, at a temperature in the range of about -60.degree. to -17.degree. C. to form the corresponding haloalkyl complex of step (a) having the formula: CpRhPMe.sub.3 RX; and, (c) reacting said haloalkyl complex formed in (b) with halogen (X.sub.2) at a temperature in the range of about -60.degree. to 25.degree. C. (i.e., ambient) to form a functional haloalkyl compound.

  13. Process for functionalizing alkanes

    DOE Patents [OSTI]

    Bergman, Robert G.; Janowicz, Andrew H.; Periana-Pillai, Roy A.

    1985-01-01

    Process for functionalizing saturated hydrocarbons selectively in the terminal position comprising: (a) reacting said saturated hydrocarbons of the formula: RH where: H represents a hydrogen atom, and R represents a saturated hydrocarbon radical, with a metal complex of the formula: CpRhPMe.sub.3 H.sub.2 where: Cp represents a pentamethylated cyclopentadienyl radical, Rh represents a rhodium atom, P represents a phosphorous atom, Me represents a methyl group, H represents a hydrogen atom, in the presence of ultraviolet radiation at a temperature maintained at about -60.degree. to -17.degree. C. to form a hydridoalkyl complex of the formula: CpRhPMe.sub.3 RH (b) reacting said hydridoalkyl complex with a haloform of the formula: CHX.sub.3 where: X represents a bromine, iodine or chlorine atom, at a temperature in the range of about -60.degree. to -17.degree. C. to form the corresponding haloalkyl complex of step (a) having the formula: CpRhPMe.sub.3 RX; and, (c) reacting said haloalkyl complex formed in (b) with halogen (X.sub.2) at a temperature in the range of about -60.degree. to 25.degree. C. (i.e. ambient) to form a functional haloalkyl compound.

  14. FFTF Plant transition function analysis report

    SciTech Connect (OSTI)

    Lund, D.P.; FFTF Working Group

    1995-09-01

    The document contains the functions, function definitions, function interfaces, function interface definitions, Input Computer Automated Manufacturing Definition (IDEFO) diagrams, and function hierarchy charts that describe what needs to be performed to deactivate FFTF.

  15. Methods of making functionalized nanorods

    DOE Patents [OSTI]

    Gur, Ilan; Milliron, Delia; Alivisatos, A. Paul; Liu, Haitao

    2012-01-10

    A process for forming functionalized nanorods. The process includes providing a substrate, modifying the substrate by depositing a self-assembled monolayer of a bi-functional molecule on the substrate, wherein the monolayer is chosen such that one side of the bi-functional molecule binds to the substrate surface and the other side shows an independent affinity for binding to a nanocrystal surface, so as to form a modified substrate. The process further includes contacting the modified substrate with a solution containing nanocrystal colloids, forming a bound monolayer of nanocrystals on the substrate surface, depositing a polymer layer over the monolayer of nanocrystals to partially cover the monolayer of nanocrystals, so as to leave a layer of exposed nanocrystals, functionalizing the exposed nanocrystals, to form functionalized nanocrystals, and then releasing the functionalized nanocrystals from the substrate.

  16. Properties of Bulk Sintered Silver As a Function of Porosity

    SciTech Connect (OSTI)

    Wereszczak, Andrew A; Vuono, Daniel J; Wang, Hsin; Ferber, Mattison K; Liang, Zhenxian

    2012-06-01

    This report summarizes a study where various properties of bulk-sintered silver were investigated over a range of porosity. This work was conducted within the National Transportation Research Center's Power Device Packaging project that is part of the DOE Vehicle Technologies Advanced Power Electronics and Electric Motors Program. Sintered silver, as an interconnect material in power electronics, inherently has porosity in its produced structure because of the way it is made. Therefore, interest existed in this study to examine if that porosity affected electrical properties, thermal properties, and mechanical properties because any dependencies could affect the intended function (e.g., thermal transfer, mechanical stress relief, etc.) or reliability of that interconnect layer and alter how its performance is modeled. Disks of bulk-sintered silver were fabricated using different starting silver pastes and different sintering conditions to promote different amounts of porosity. Test coupons were harvested out of the disks to measure electrical resistivity and electrical conductivity, thermal conductivity, coefficient of thermal expansion, elastic modulus, Poisson's ratio, and yield stress. The authors fully recognize that the microstructure of processed bulk silver coupons may indeed not be identical to the microstructure produced in thin (20-50 microns) layers of sintered silver. However, measuring these same properties with such a thin actual structure is very difficult, requires very specialized specimen preparation and unique testing instrumentation, is expensive, and has experimental shortfalls of its own, so the authors concluded that the herein measured responses using processed bulk sintered silver coupons would be sufficient to determine acceptable values of those properties. Almost all the investigated properties of bulk sintered silver changed with porosity content within a range of 3-38% porosity. Electrical resistivity, electrical conductivity, thermal

  17. Functional Accountability | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    The Office of the Chief Human Capital Officer exercises functional accountability over human resources authorities and human capital programs. This ensures the Department's ...

  18. Dual function conducting polymer diodes

    DOE Patents [OSTI]

    Heeger, Alan J.; Yu, Gang

    1996-01-01

    Dual function diodes based on conjugated organic polymer active layers are disclosed. When positively biased the diodes function as light emitters. When negatively biased they are highly efficient photodiodes. Methods of preparation and use of these diodes in displays and input/output devices are also disclosed.

  19. Multi-functional composite structures

    DOE Patents [OSTI]

    Mulligan, Anthony C.; Halloran, John; Popovich, Dragan; Rigali, Mark J.; Sutaria, Manish P.; Vaidyanathan, K. Ranji; Fulcher, Michael L.; Knittel, Kenneth L.

    2010-04-27

    Fibrous monolith processing techniques to fabricate multifunctional structures capable of performing more than one discrete function such as structures capable of bearing structural loads and mechanical stresses in service and also capable of performing at least one additional non-structural function.

  20. Multi-functional composite structures

    DOE Patents [OSTI]

    Mulligan, Anthony C.; Halloran, John; Popovich, Dragan; Rigali, Mark J.; Sutaria, Manish P.; Vaidyanathan, K. Ranji; Fulcher, Michael L.; Knittel, Kenneth L.

    2004-10-19

    Fibrous monolith processing techniques to fabricate multifunctional structures capable of performing more than one discrete function such as structures capable of bearing structural loads and mechanical stresses in service and also capable of performing at least one additional non-structural function.

  1. Designing Dual-functionalized Gels for Self-reconfiguration and Autonomous Motion

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kuksenok, Olga; Balazs, Anna C.

    2015-04-30

    Human motion is enabled by the concerted expansion and contraction of interconnected muscles that are powered by inherent biochemical reactions. One of the challenges in the field of biomimicry is eliciting this form of motion from purely synthetic materials, which typically do not generate internalized reactions to drive mechanical action. Moreover, for practical applications, this bio-inspired motion must be readily controllable. Herein, we develop a computational model to design a new class of polymer gels where structural reconfigurations and internalized reactions are intimately linked to produce autonomous motion, which can be directed with light. These gels contain both spirobenzopyran (SP)more » chromophores and the ruthenium catalysts that drive the oscillatory Belousov-Zhabotinsky (BZ) reaction. Importantly, both the SP moieties and the BZ reaction are photosensitive. When these dual-functionalized gels are exposed to non-uniform illumination, the localized contraction of the gel (due to the SP moieties) in the presence of traveling chemical waves (due to the BZ reaction) leads to new forms of spontaneous, self-sustained movement, which cannot be achieved by either of the mono-functionalized networks.« less

  2. Designing Dual-functionalized Gels for Self-reconfiguration and Autonomous Motion

    SciTech Connect (OSTI)

    Kuksenok, Olga; Balazs, Anna C.

    2015-04-30

    Human motion is enabled by the concerted expansion and contraction of interconnected muscles that are powered by inherent biochemical reactions. One of the challenges in the field of biomimicry is eliciting this form of motion from purely synthetic materials, which typically do not generate internalized reactions to drive mechanical action. Moreover, for practical applications, this bio-inspired motion must be readily controllable. Herein, we develop a computational model to design a new class of polymer gels where structural reconfigurations and internalized reactions are intimately linked to produce autonomous motion, which can be directed with light. These gels contain both spirobenzopyran (SP) chromophores and the ruthenium catalysts that drive the oscillatory Belousov-Zhabotinsky (BZ) reaction. Importantly, both the SP moieties and the BZ reaction are photosensitive. When these dual-functionalized gels are exposed to non-uniform illumination, the localized contraction of the gel (due to the SP moieties) in the presence of traveling chemical waves (due to the BZ reaction) leads to new forms of spontaneous, self-sustained movement, which cannot be achieved by either of the mono-functionalized networks.

  3. Automatic computation of transfer functions

    DOE Patents [OSTI]

    Atcitty, Stanley; Watson, Luke Dale

    2015-04-14

    Technologies pertaining to the automatic computation of transfer functions for a physical system are described herein. The physical system is one of an electrical system, a mechanical system, an electromechanical system, an electrochemical system, or an electromagnetic system. A netlist in the form of a matrix comprises data that is indicative of elements in the physical system, values for the elements in the physical system, and structure of the physical system. Transfer functions for the physical system are computed based upon the netlist.

  4. Functionalized magnetic nanoparticle analyte sensor

    DOE Patents [OSTI]

    Yantasee, Wassana; Warner, Maryin G; Warner, Cynthia L; Addleman, Raymond S; Fryxell, Glen E; Timchalk, Charles; Toloczko, Mychailo B

    2014-03-25

    A method and system for simply and efficiently determining quantities of a preselected material in a particular solution by the placement of at least one superparamagnetic nanoparticle having a specified functionalized organic material connected thereto into a particular sample solution, wherein preselected analytes attach to the functionalized organic groups, these superparamagnetic nanoparticles are then collected at a collection site and analyzed for the presence of a particular analyte.

  5. Precision linear ramp function generator

    DOE Patents [OSTI]

    Jatko, W.B.; McNeilly, D.R.; Thacker, L.H.

    1984-08-01

    A ramp function generator is provided which produces a precise linear ramp function which is repeatable and highly stable. A derivative feedback loop is used to stabilize the output of an integrator in the forward loop and control the ramp rate. The ramp may be started from a selected baseline voltage level and the desired ramp rate is selected by applying an appropriate constant voltage to the input of the integrator.

  6. High throughput reproducible cantilever functionalization

    DOE Patents [OSTI]

    Evans, Barbara R; Lee, Ida

    2014-01-21

    A method for functionalizing cantilevers is provided that includes providing a holder having a plurality of channels each having a width for accepting a cantilever probe and a plurality of probes. A plurality of cantilever probes are fastened to the plurality of channels of the holder by the spring clips. The wells of a well plate are filled with a functionalization solution, wherein adjacent wells in the well plate are separated by a dimension that is substantially equal to a dimension separating adjacent channels of the plurality of channels. Each cantilever probe that is fastened within the plurality of channels of the holder is applied to the functionalization solution that is contained in the wells of the well plate.

  7. High throughout reproducible cantilever functionalization

    DOE Patents [OSTI]

    Evans, Barbara R; Lee, Ida

    2014-11-25

    A method for functionalizing cantilevers is provided that includes providing a holder having a plurality of channels each having a width for accepting a cantilever probe and a plurality of probes. A plurality of cantilever probes are fastened to the plurality of channels of the holder by the spring clips. The wells of a well plate are filled with a functionalization solution, wherein adjacent wells in the well plate are separated by a dimension that is substantially equal to a dimension separating adjacent channels of the plurality of channels. Each cantilever probe that is fastened within the plurality of channels of the holder is applied to the functionalization solution that is contained in the wells of the well plate.

  8. Phenomenological Relativistic Energy Density Functionals

    SciTech Connect (OSTI)

    Lalazissis, G. A.; Kartzikos, S.; Niksic, T.; Paar, N.; Vretenar, D.; Ring, P.

    2009-08-26

    The framework of relativistic nuclear energy density functionals is applied to the description of a variety of nuclear structure phenomena, not only in spherical and deformed nuclei along the valley of beta-stability, but also in exotic systems with extreme isospin values and close to the particle drip-lines. Dynamical aspects of exotic nuclear structure is explored using the fully consistent quasiparticle random-phase approximation based on the relativistic Hartree-Bogoliubov model. Recent applications of energy density functionals with explicit density dependence of the meson-nucleon couplings are presented.

  9. Project X functional requirements specification

    SciTech Connect (OSTI)

    Holmes, S.D.; Henderson, S.D.; Kephart, R.; Kerby, J.; Kourbanis, I.; Lebedev, V.; Mishra, S.; Nagaitsev, S.; Solyak, N.; Tschirhart, R.; /Fermilab

    2012-05-01

    Project X is a multi-megawatt proton facility being developed to support a world-leading program in Intensity Frontier physics at Fermilab. The facility is designed to support programs in elementary particle and nuclear physics, with possible applications to nuclear energy research. A Functional Requirements Specification has been developed in order to establish performance criteria for the Project X complex in support of these multiple missions, and to assure that the facility is designed with sufficient upgrade capability to provide U.S. leadership for many decades to come. This paper will briefly review the previously described Functional Requirements, and then discuss their recent evolution.

  10. Poly(ethylene oxide) functionalization

    DOE Patents [OSTI]

    Pratt, Russell Clayton

    2014-04-08

    A simple procedure is provided by which the hydroxyl termini of poly(ethylene oxide) can be appended with functional groups to a useful extent by reaction and precipitation. The polymer is dissolved in warmed toluene, treated with an excess of organic base and somewhat less of an excess of a reactive acylating reagent, reacted for several hours, then precipitated in isopropanol so that the product can be isolated as a solid, and salt byproducts are washed away. This procedure enables functionalization of the polymer while not requiring laborious purification steps such as solvent-solvent extraction or dialysis to remove undesirable side products.

  11. Physical unclonable functions: A primer

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bauer, Todd; Hamlet, Jason

    2014-11-01

    Physical unclonable functions (PUFs) make use of the measurable intrinsic randomness of physical systems to establish signatures for those systems. Thus, PUFs provide a means to generate unique keys that don't need to be stored in nonvolatile memory, and they offer exciting opportunities for new authentication and supply chain security technologies.

  12. Functional Insights from Structural Genomics

    SciTech Connect (OSTI)

    Forouhar,F.; Kuzin, A.; Seetharaman, J.; Lee, I.; Zhou, W.; Abashidze, M.; Chen, Y.; Montelione, G.; Tong, L.; et al

    2007-01-01

    Structural genomics efforts have produced structural information, either directly or by modeling, for thousands of proteins over the past few years. While many of these proteins have known functions, a large percentage of them have not been characterized at the functional level. The structural information has provided valuable functional insights on some of these proteins, through careful structural analyses, serendipity, and structure-guided functional screening. Some of the success stories based on structures solved at the Northeast Structural Genomics Consortium (NESG) are reported here. These include a novel methyl salicylate esterase with important role in plant innate immunity, a novel RNA methyltransferase (H. influenzae yggJ (HI0303)), a novel spermidine/spermine N-acetyltransferase (B. subtilis PaiA), a novel methyltransferase or AdoMet binding protein (A. fulgidus AF{_}0241), an ATP:cob(I)alamin adenosyltransferase (B. subtilis YvqK), a novel carboxysome pore (E. coli EutN), a proline racemase homolog with a disrupted active site (B. melitensis BME11586), an FMN-dependent enzyme (S. pneumoniae SP{_}1951), and a 12-stranded {beta}-barrel with a novel fold (V. parahaemolyticus VPA1032).

  13. TRIDAC host computer functional specification

    SciTech Connect (OSTI)

    Hilbert, S.M.; Hunter, S.L.

    1983-08-23

    The purpose of this document is to outline the baseline functional requirements for the Triton Data Acquisition and Control (TRIDAC) Host Computer Subsystem. The requirements presented in this document are based upon systems that currently support both the SIS and the Uranium Separator Technology Groups in the AVLIS Program at the Lawrence Livermore National Laboratory and upon the specific demands associated with the extended safe operation of the SIS Triton Facility.

  14. Precision linear ramp function generator

    DOE Patents [OSTI]

    Jatko, W. Bruce (Knoxville, TN); McNeilly, David R. (Maryville, TN); Thacker, Louis H. (Knoxville, TN)

    1986-01-01

    A ramp function generator is provided which produces a precise linear ramp unction which is repeatable and highly stable. A derivative feedback loop is used to stabilize the output of an integrator in the forward loop and control the ramp rate. The ramp may be started from a selected baseline voltage level and the desired ramp rate is selected by applying an appropriate constant voltage to the input of the integrator.

  15. Semiclassical propagation of Wigner functions

    SciTech Connect (OSTI)

    Dittrich, T.; Gomez, E. A.; Pachon, L. A.

    2010-06-07

    We present a comprehensive study of semiclassical phase-space propagation in the Wigner representation, emphasizing numerical applications, in particular as an initial-value representation. Two semiclassical approximation schemes are discussed. The propagator of the Wigner function based on van Vleck's approximation replaces the Liouville propagator by a quantum spot with an oscillatory pattern reflecting the interference between pairs of classical trajectories. Employing phase-space path integration instead, caustics in the quantum spot are resolved in terms of Airy functions. We apply both to two benchmark models of nonlinear molecular potentials, the Morse oscillator and the quartic double well, to test them in standard tasks such as computing autocorrelation functions and propagating coherent states. The performance of semiclassical Wigner propagation is very good even in the presence of marked quantum effects, e.g., in coherent tunneling and in propagating Schroedinger cat states, and of classical chaos in four-dimensional phase space. We suggest options for an effective numerical implementation of our method and for integrating it in Monte-Carlo-Metropolis algorithms suitable for high-dimensional systems.

  16. Faraday dispersion functions of galaxies

    SciTech Connect (OSTI)

    Ideguchi, Shinsuke; Tashiro, Yuichi; Takahashi, Keitaro; Akahori, Takuya; Ryu, Dongsu E-mail: 136d8008@st.kumamoto-u.ac.jp E-mail: akahori@physics.usyd.edu.au

    2014-09-01

    The Faraday dispersion function (FDF), which can be derived from an observed polarization spectrum by Faraday rotation measure synthesis, is a profile of polarized emissions as a function of Faraday depth. We study intrinsic FDFs along sight lines through face-on Milky Way like galaxies by means of a sophisticated galactic model incorporating three-dimensional MHD turbulence, and investigate how much information the FDF intrinsically contains. Since the FDF reflects distributions of thermal and cosmic-ray electrons as well as magnetic fields, it has been expected that the FDF could be a new probe to examine internal structures of galaxies. We, however, find that an intrinsic FDF along a sight line through a galaxy is very complicated, depending significantly on actual configurations of turbulence. We perform 800 realizations of turbulence and find no universal shape of the FDF even if we fix the global parameters of the model. We calculate the probability distribution functions of the standard deviation, skewness, and kurtosis of FDFs and compare them for models with different global parameters. Our models predict that the presence of vertical magnetic fields and the large-scale height of cosmic-ray electrons tend to make the standard deviation relatively large. In contrast, the differences in skewness and kurtosis are relatively less significant.

  17. Window taper functions for subaperture processing. (Technical...

    Office of Scientific and Technical Information (OSTI)

    Window taper functions for subaperture processing. Citation Details In-Document Search Title: Window taper functions for subaperture processing. You are accessing a document ...

  18. Window taper functions for subaperture processing. (Technical...

    Office of Scientific and Technical Information (OSTI)

    Window taper functions for subaperture processing. Citation Details In-Document Search Title: Window taper functions for subaperture processing. It is well known that the spectrum ...

  19. Functional Design Engineering Inc | Open Energy Information

    Open Energy Info (EERE)

    Functional Design Engineering Inc Jump to: navigation, search Name: Functional Design Engineering Inc Region: United States Sector: Marine and Hydrokinetic Website:...

  20. Power Function Review (pbl/rates)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    PFR Public Comments Firstgov Power Function Review (PFR) Summary: This area of the Power Services web site provides information related to the Power Function Review (PFR). The PFR...

  1. Design Principles for Materials with Magnetic Functionality ...

    Office of Scientific and Technical Information (OSTI)

    Design Principles for Materials with Magnetic Functionality Citation Details In-Document Search Title: Design Principles for Materials with Magnetic Functionality This report ...

  2. Building a Universal Nuclear Energy Density Functional

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Building a Universal Nuclear Energy Density Functional Building a Universal Nuclear Energy Density Functional VaryMatrix.png Collaboration with mathematicians and computational...

  3. Tiny plastic lung mimics human pulmonary function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Tiny plastic lung mimics human pulmonary function Tiny plastic lung mimics human pulmonary function Scientists are developing a miniature, tissue-engineered artificial lung that ...

  4. Copper ions removal from water using functionalized carbon nanotubes–mullite composite as adsorbent

    SciTech Connect (OSTI)

    Tofighy, Maryam Ahmadzadeh; Mohammadi, Toraj

    2015-08-15

    Highlights: • CNTs–mullite composite was prepared via chemical vapor deposition (CVD) method. • The prepared composite was modified with concentrated nitric acid and chitosan. • The modified CNTs–mullite composites were used as novel adsorbents. • Copper ion removal from water by the prepared adsorbents was performed. • Langmuir and Freundlich isotherms and two kinetic models were applied to fit the experimental data. - Abstract: Carbon nanotubes–mullite composite was synthesized by direct growth of carbon nanotubes on mullite particles via chemical vapor deposition method using cyclohexanol and ferrocene as carbon precursor and catalyst, respectively. The carbon nanotubes–mullite composite was oxidized with concentrated nitric acid and functionalized with chitosan and then used as a novel adsorbent for copper ions removal from water. The results demonstrated that modification with concentrated nitric acid and chitosan improves copper ions adsorption capacity of the prepared composite, significantly. Langmuir and Freundlich isotherms and two kinetic models were applied to fit the experimental data. The carbon nanotubes growth on mullite particles to form the carbon nanotubes–mullite composite with further modification is an inherently safe approach for many promising environmental applications to avoid some concerns regarding environment, health and safety. It was found that the modified carbon nanotubes–mullite composite can be considered as an excellent adsorbent for copper ions removal from water.

  5. FUNCTION GENERATOR FOR ANALOGUE COMPUTERS

    DOE Patents [OSTI]

    Skramstad, H.K.; Wright, J.H.; Taback, L.

    1961-12-12

    An improved analogue computer is designed which can be used to determine the final ground position of radioactive fallout particles in an atomic cloud. The computer determines the fallout pattern on the basis of known wind velocity and direction at various altitudes, and intensity of radioactivity in the mushroom cloud as a function of particle size and initial height in the cloud. The output is then displayed on a cathode-ray tube so that the average or total luminance of the tube screen at any point represents the intensity of radioactive fallout at the geographical location represented by that point. (AEC)

  6. US Nuclear Regulatory Commission functional organization charts

    SciTech Connect (OSTI)

    Not Available

    1988-01-01

    This document provides functional organization charts for all NRC Offices and Regions, and their components.

  7. US Nuclear Regulatory Commission functional organization charts

    SciTech Connect (OSTI)

    Not Available

    1986-11-30

    Functional organization charts for the NRC Commission Offices, Divisions, and Branches are presented.

  8. Functional nucleic acid probes and uses thereof

    DOE Patents [OSTI]

    Nilsen-Hamilton, Marit

    2006-10-03

    The present invention provides functional nucleic acid probes, and methods of using functional nucleic acid probes, for binding a target to carry out a desired function. The probes have at least one functional nucleic acid, at least one regulating nucleic acid, and at least one attenuator. The functional nucleic acid is maintained in an inactive state by the attenuator and activated by the regulating nucleic acid only in the presence of a regulating nucleic acid target. In its activated state the functional nucleic acid can bind to its target to carry out a desired function, such as generating a signal, cleaving a nucleic acid, or catalyzing a reaction.

  9. Brownian dynamics without Green's functions

    SciTech Connect (OSTI)

    Delong, Steven; Donev, Aleksandar; Usabiaga, Florencio Balboa; Delgado-Buscalioni, Rafael; Griffith, Boyce E.; Leon H. Charney Division of Cardiology, Department of Medicine, New York University School of Medicine, New York, New York 10016

    2014-04-07

    We develop a Fluctuating Immersed Boundary (FIB) method for performing Brownian dynamics simulations of confined particle suspensions. Unlike traditional methods which employ analytical Green's functions for Stokes flow in the confined geometry, the FIB method uses a fluctuating finite-volume Stokes solver to generate the action of the response functions on the fly. Importantly, we demonstrate that both the deterministic terms necessary to capture the hydrodynamic interactions among the suspended particles, as well as the stochastic terms necessary to generate the hydrodynamically correlated Brownian motion, can be generated by solving the steady Stokes equations numerically only once per time step. This is accomplished by including a stochastic contribution to the stress tensor in the fluid equations consistent with fluctuating hydrodynamics. We develop novel temporal integrators that account for the multiplicative nature of the noise in the equations of Brownian dynamics and the strong dependence of the mobility on the configuration for confined systems. Notably, we propose a random finite difference approach to approximating the stochastic drift proportional to the divergence of the configuration-dependent mobility matrix. Through comparisons with analytical and existing computational results, we numerically demonstrate the ability of the FIB method to accurately capture both the static (equilibrium) and dynamic properties of interacting particles in flow.

  10. Before the Subcommittee on Financial and Contracting Oversight- Committee on Homeland Security and Governmental Affairs

    Broader source: Energy.gov [DOE]

    Subject: Overview of DOE Office of Environmental Management acquisitions and contract project management reforms By: J.E. "Jack" Surash, Deputy Assistant Secretary for Acquisition and Project Management

  11. Markets during world oil supply crises: an analysis of industry, consumer, and governmental response

    SciTech Connect (OSTI)

    Erfle, Stephen; Pound, John; Kalt, Joseph

    1981-04-01

    An analysis of the response of American markets to supply crises in world oil markets is presented. It addresses four main issues: the efficiency of the operation of American oil markets during oil supply crises; the problems of both economic efficiency and social equity which arise during the American adaptation process; the propriety of the Federal government's past policy responses to these problems; and the relationship between perceptions of the problems caused by world oil crises and the real economic natures of these problems. Specifically, Chapter 1 presents a theoretical discussion of the effects of a world supply disruption on the price level and supply availability of the world market oil to any consuming country including the US Chapter 2 provides a theoretical and empirical analysis of the efficiency of the adaptations of US oil product markets to higher world oil prices. Chapter 3 examines the responses of various groups of US oil firms to the alterations observed in world markets, while Chapter 4 presents a theoretical explanation for the price-lagging behavior exhibited by firms in the US oil industry. Chapter 5 addresses the nature of both real and imagined oil market problems in the US during periods of world oil market transition. (MCW)

  12. Structures and Functions of Oligosaccharins

    SciTech Connect (OSTI)

    Albersheim, Peter

    1995-12-01

    We have made considerable progress during the 2.5 year funding period just ending in our studies of the structures and functions of oligosaccharide signal molecules (oligosaccharins). We have emphasized studies of the enzymes that solubilize, process, and degrade oligosaccharins and of the proteins that inhibit those enzymes. We have been especially interested in elucidating how oligosaccharins and their processing enzymes participate in determining the outcome of challenges to plants by pathogenic microbes. We have studied, to a lesser extent, the roles of oligosaccharins in plant growth and development. Abstracts of papers describing results acquired with support from this grant that have been published, submitted, or in preparation are presented to summarize the progress made during the last two and one half years. The report highlights the most important contributions made in our oiigosaccharin research during this time period, and the corresponding abstract is referenced. Results of work in progress are described primarily in conjunction with our application for continued support.

  13. US Nuclear Regulatory Commission functional organization charts

    SciTech Connect (OSTI)

    Not Available

    1990-08-15

    Functional organization charts for the US Nuclear Regulatory Commission offices, divisions, and branches are presented in this document.

  14. US Nuclear Regulatory Commission functional organization charts

    SciTech Connect (OSTI)

    Not Available

    1990-04-01

    Functional organization charts for the US Nuclear Regulatory Commission offices, divisions, and branches are presented in this document.

  15. Functional Area Qualification Standard Reference Guides

    Broader source: Energy.gov [DOE]

    The reference guides have been developed to address the competency statements in DOE Functional Area Qualification Standard.

  16. Fire Protection Engineering Functional Area Qualification Standard

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    FIRE PROTECTION ENGINEERING FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical ... by applied engineering fundamentals, research, fire hazard ...

  17. Property:Distributed Generation Function | Open Energy Information

    Open Energy Info (EERE)

    Function Jump to: navigation, search Property Name Distributed Generation Function Property Type Page Description A description of the function(s) for which the Distributed...

  18. Polarized structure functions in nuclear matter

    SciTech Connect (OSTI)

    Tehrani, S. Atashbar; Khorramian, A. N.; Monfared, S. Taheri; Arbabifar, F.

    2011-10-24

    We present a comprehensive analysis of the structure functions for the polarized nuclei {sup 3}He, and focus on the polarized distribution functions and light-cone momentum distributions of protons and neutrons. We demonstrate that the first moment of the {sup 3}He structure function can provide an incisive test of the Bjorken sum rule.

  19. Characterizing quasiconvex functions in terms of the Kronrod's tree of a function

    SciTech Connect (OSTI)

    Vorob'ev, A. I.

    2014-06-01

    As an application of Kronrod's construction of the tree of a function to convex analysis, a characterization of quasiconvex functions is obtained. Namely, a function is quasiconvex if and only if the associated function defined on the tree of the original function is quasiconvex. A new proof of one of the existence lemmas in Kronrod's construction of the tree of a function (the original proof of which turned out to be incorrect) is given. Bibliography: 4 titles. (paper)

  20. Holography of gravitational action functionals

    SciTech Connect (OSTI)

    Mukhopadhyay, Ayan; Padmanabhan, T.

    2006-12-15

    Einstein-Hilbert (EH) action can be separated into a bulk and a surface term, with a specific ('holographic') relationship between the two, so that either can be used to extract information about the other. The surface term can also be interpreted as the entropy of the horizon in a wide class of spacetimes. Since EH action is likely to just the first term in the derivative expansion of an effective theory, it is interesting to ask whether these features continue to hold for more general gravitational actions. We provide a comprehensive analysis of Lagrangians of the form {radical}(-g)L={radical}(-g)Q{sub a}{sup bcd}R{sup a}{sub bcd}, in which Q{sub a}{sup bcd} is a tensor with the symmetries of the curvature tensor, made from metric and curvature tensor and satisfies the condition {nabla}{sub c}Q{sub a}{sup bcd}=0, and show that they share these features. The Lanczos-Lovelock Lagrangians are a subset of these in which Q{sub a}{sup bcd} is a homogeneous function of the curvature tensor. They are all holographic, in a specific sense of the term, and--in all these cases--the surface term can be interpreted as the horizon entropy. The thermodynamics route to gravity, in which the field equations are interpreted as TdS=dE+pdV, seems to have a greater degree of validity than the field equations of Einstein gravity itself. The results suggest that the holographic feature of EH action could also serve as a new symmetry principle in constraining the semiclassical corrections to Einstein gravity. The implications are discussed.

  1. Functionalized lignin, rubber containing functionalized lignin and products containing such rubber composition

    DOE Patents [OSTI]

    Benko, David Andrew; Hahn, Bruce Raymond; Cohen, Martin Paul; Dirk, Shawn Matthew; Cicotte, Kirsten Nicole

    2014-03-04

    The invention relates to functionalized lignin, rubber compositions which contain functionalized lignin and to products which have at least one component comprised of such rubber composition.

  2. Function point count adjustment by means of scaling touched function points

    SciTech Connect (OSTI)

    Bell, M.

    1997-11-01

    This report contains viewgraphs on the use of scaling touched function points to adjust function point analysis in determine the usefullness, productivity, and quality of software.

  3. Functional Encyclopedia of Bacteria and Archaea

    SciTech Connect (OSTI)

    Blow, M. J.; Deutschbauer, A. M.; Hoover, C. A.; Lamson, J.; Lamson, J.; Price, M. N.; Waters, J.; Wetmore, K. M.; Bristow, J.; Arkin, A. P.

    2013-03-20

    Bacteria and Archaea exhibit a huge diversity of metabolic capabilities with fundamental importance in the environment, and potential applications in biotechnology. However, the genetic bases of these capabilities remain unclear due largely to an absence of technologies that link DNA sequence to molecular function. To address this challenge, we are developing a pipeline for high throughput annotation of gene function using mutagenesis, growth assays and DNA sequencing. By applying this pipeline to annotate gene function in 50 diverse microbes we hope to discover thousands of new gene functions and produce a proof of principle `Functional Encyclopedia of Bacteria and Archaea?.

  4. Functionalized active-nucleus complex sensor

    DOE Patents [OSTI]

    Pines, Alexander; Wemmer, David E.; Spence, Megan; Rubin, Seth

    2003-11-25

    A functionalized active-nucleus complex sensor that selectively associates with one or more target species, and a method for assaying and screening for one or a plurality of target species utilizing one or a plurality of functionalized active-nucleus complexes with at least two of the functionalized active-nucleus complexes having an attraction affinity to different corresponding target species. The functionalized active-nucleus complex has an active-nucleus and a targeting carrier. The method involves functionalizing an active-nucleus, for each functionalized active-nucleus complex, by incorporating the active-nucleus into a macromolucular or molecular complex that is capable of binding one of the target species and then bringing the macromolecular or molecular complexes into contact with the target species and detecting the occurrence of or change in a nuclear magnetic resonance signal from each of the active-nuclei in each of the functionalized active-nucleus complexes.

  5. CTA/CNS Functions | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    CTA/CNS Functions CTA/CNS Functions CTA/CNS Functions The Secretary established the mission of the Chief Technical Authority (CTA) and supporting Chief of Nuclear Safety (CNS) in 2005 to provide independent analysis, advice, and recommendations to DOE senior management, program offices, field offices, and contractors on the health of the oversight and practices associated with the nuclear facility safety. Beginning in 2011, the Deputy Secretary also delegated EM CTA responsibilities to the CNS.

  6. Accurate evaluation of pionium wave functions

    SciTech Connect (OSTI)

    Suebka, P.; Yan, Y.

    2004-09-01

    A suitable numerical approach based on Sturmian functions is employed to solve the pionium problem for both local and nonlocal potentials. The approach accounts for both the short-ranged strong interaction and the long-ranged Coulomb force and provides accurately the wave function and binding energy of pionium. It is found that the ground-state pionium wave function in realistic pion-pion strong interactions might be considerably different from the hydrogen-like one at a small distance.

  7. Crystal Structure and Functional Analysis Identify Evolutionary...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    domains are considered to be markers for tRNA synthetase-associated functions beyond translation (1). Although their appearance correlates with the increase of biological...

  8. Building a Universal Nuclear Energy Density Functional

    SciTech Connect (OSTI)

    Bertulani, Carlos A.

    2014-09-10

    This grant had two components: Density functional theory and pairing and Nuclear reactions. This final report summarizes the activities for this SciDAC-2 project.

  9. Functionalized mesoporous materials for adsorption and release...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Functionalized ... This work reports comparative studies of the adsorption and ... OSTI Identifier: 21370463 Resource Type: Journal Article ...

  10. Poly(ethyleneoxide) functionalization through alkylation (Patent...

    Office of Scientific and Technical Information (OSTI)

    A new and efficient method of functionalizing high molecular weight polymers through alkylation using a metal amide base is described. This novel procedure can also be used to ...

  11. Functionalized High Performance Polymer Membranes for Separation...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Functionalized High Performance Polymer Membranes for Separation of Carbon Dioxide and Methane Previous Next List Natalia Blinova and Frantisek Svec, J. Mater. Chem. A, 2, 600-604...

  12. Functionalized Polyacrylamide Monolith for Rapid Bacteria Pathogen...

    Office of Scientific and Technical Information (OSTI)

    for Rapid Bacteria Pathogen Detection in Human Blood. Citation Details In-Document Search Title: Functionalized Polyacrylamide Monolith for Rapid Bacteria Pathogen ...

  13. Dual Functional Cathode Additives for Battery Technologies -...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Return to Search Dual Functional Cathode Additives for Battery Technologies Brookhaven ... activation of the cell of a lithium battery having a primary metal sulfide additive ...

  14. Contrasting soil microbial community functional structures in...

    Office of Scientific and Technical Information (OSTI)

    Contrasting soil microbial community functional structures in two major landscapes of the Tibetan alpine meadow Prev Next Title: Contrasting soil microbial community...

  15. Design Principles for Materials with Magnetic Functionality

    SciTech Connect (OSTI)

    Thompson, Joe David

    2015-11-05

    This report describes the processes involved with refining and testing design principles of high density, magnetic materials and while observing their magnetic functionality.

  16. Universal Nuclear Energy Density Functional (Technical Report...

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: English Subject: 73 NUCLEAR PHYSICS AND RADIATION PHYSICS Nuclear structure; nuclear energy density functional Word Cloud ...

  17. Emergency Support Function #12; Energy Annex

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Consequently, energy supply and transportation problems can ... Emergency Support Function 12 - Energy Annex ESF 12-2 ESF ... into ESF 12 planning and decisionmaking processes. ...

  18. Methods of electrophoretic deposition for functionally graded...

    Office of Scientific and Technical Information (OSTI)

    Methods of electrophoretic deposition for functionally graded porous nanostructures and ... and depositing the material onto surfaces of the particles of the impurity to form ...

  19. Quality Assurance Functional Area Qualification Standard - DOE...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    establishes common functional area competency requirements for DOE personnel who provide assistance, direction, guidance, oversight, or evaluation of contractor technical QA...

  20. Quality Assurance Functional Area Qualification Standard - DOE...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    common functional area competency requirements for all DOE QA personnel who provide assistance, direction, guidance, oversight, or evaluation of contractor technical...

  1. Perturbation kernels for generalized seismological data functionals...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Authors: Chen, Po., Jordan, T.H., Lee, E. In seismic waveform analysis and inversion, data ... The generalized seismological data functionals (GSDF) of Gee & Jordan quantify waveform ...

  2. Contrasting soil microbial community functional structures in...

    Office of Scientific and Technical Information (OSTI)

    two major landscapes of the Tibetan alpine meadow Prev Next Title: Contrasting soil microbial community functional structures in two major landscapes of the Tibetan alpine...

  3. Safety Software Quality Assurance Functional Area Qualification...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    72-2011, Safety Software Quality Assurance Functional Area Qualification Standard by Diane Johnson This SSQA FAQS identifies the minimum technical competency requirements for DOE...

  4. Peptoid Nanosheets Offer a Diversity of Functionalities

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    nanosheets for novel functions. The substitution of oil in place of air creates a raft of new opportunities for the engineering and production of peptoid nanosheets. For...

  5. Uncertainty Quantification for Nuclear Density Functional Theory...

    Office of Scientific and Technical Information (OSTI)

    Uncertainty Quantification for Nuclear Density Functional Theory and Information Content of New Measurements Citation Details In-Document Search This content will become publicly...

  6. Beyond simple exponential correlation functions and equilibrium...

    Office of Scientific and Technical Information (OSTI)

    and equilibrium dynamics in x-ray photon correlation spectroscopy Citation Details In-Document Search Title: Beyond simple exponential correlation functions and equilibrium ...

  7. Critical function and success path summary display

    DOE Patents [OSTI]

    Scarola, Kenneth; Jamison, David S.; Manazir, Richard M.; Rescorl, Robert L.; Harmon, Daryl L.

    1995-01-01

    The content of and hierarchical access to three levels of display pages containing information on critical function monitoring and success path monitoring.

  8. POLICY GUIDANCE MEMORANDUM #25 Functional Accountability | Department...

    Broader source: Energy.gov (indexed) [DOE]

    Policy Statement reiterating that the Human Resources Directors (HRDs) are accountable to the Chief Human Capital Officer (CHCO) on matters pertaining to Functional Accountability. ...

  9. Year 2 Report: Protein Function Prediction Platform

    SciTech Connect (OSTI)

    Zhou, C E

    2012-04-27

    Upon completion of our second year of development in a 3-year development cycle, we have completed a prototype protein structure-function annotation and function prediction system: Protein Function Prediction (PFP) platform (v.0.5). We have met our milestones for Years 1 and 2 and are positioned to continue development in completion of our original statement of work, or a reasonable modification thereof, in service to DTRA Programs involved in diagnostics and medical countermeasures research and development. The PFP platform is a multi-scale computational modeling system for protein structure-function annotation and function prediction. As of this writing, PFP is the only existing fully automated, high-throughput, multi-scale modeling, whole-proteome annotation platform, and represents a significant advance in the field of genome annotation (Fig. 1). PFP modules perform protein functional annotations at the sequence, systems biology, protein structure, and atomistic levels of biological complexity (Fig. 2). Because these approaches provide orthogonal means of characterizing proteins and suggesting protein function, PFP processing maximizes the protein functional information that can currently be gained by computational means. Comprehensive annotation of pathogen genomes is essential for bio-defense applications in pathogen characterization, threat assessment, and medical countermeasure design and development in that it can short-cut the time and effort required to select and characterize protein biomarkers.

  10. Eta Structure Function via Photo-production

    SciTech Connect (OSTI)

    Ghahramany, N.; Ghanaatian, M.; Bazrafshan, A.

    2008-04-21

    By using isobar model and the latest data, the structure function of Eta particle is calculated in the process of photo-production. This calculation is carried out for photon energy range of 0.750-3 GeV. The variations of the structure function are given in terms of scattering angle for different incoming photon energy.

  11. Network architecture functional description and design

    SciTech Connect (OSTI)

    Stans, L.; Bencoe, M.; Brown, D.; Kelly, S.; Pierson, L.; Schaldach, C.

    1989-05-25

    This report provides a top level functional description and design for the development and implementation of the central network to support the next generation of SNL, Albuquerque supercomputer in a UNIX{reg sign} environment. It describes the network functions and provides an architecture and topology.

  12. Quality Assurance Functional Area Qualification Standard

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2013-12-02

    The Quality Assurance (QA) Functional Area Qualification Standard (FAQS) establishes common functional area competency requirements for all DOE QA personnel who provide assistance, direction, guidance, oversight, or evaluation of contractor technical activities that could impact the safe operation of DOE’s defense nuclear facilities.

  13. Quality Assurance Functional Area Qualification Standard

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2002-04-22

    Replaced by DOE-1150-2013 This QA Functional Area Qualification Standard establishes common functional area competency requirements for DOE personnel who provide assistance, direction, guidance, oversight, or evaluation of contractor technical QA activities impacting the safe operation of defense nuclear facilities.

  14. Oligomer functionalized nanotubes and composites formed therewith

    DOE Patents [OSTI]

    Zettl, Alexander K; Sainsbury, Toby; Frechet, Jean M.J.

    2014-03-18

    Disclosed herein is a sequential functionalization methodology for the covalent modification of nanotubes with between one and four repeat units of a polymer. Covalent attachment of oligomer units to the surface of nanotubes results in oligomer units forming an organic sheath around the nanotubes, polymer-functionalized-nanotubes (P-NTs). P-NTs possess chemical functionality identical to that of the functionalizing polymer, and thus provide nanoscale scaffolds which may be readily dispersed within a monomer solution and participate in the polymerization reaction to form a polymer-nanotube/polymer composite. Formation of polymer in the presence of P-NTs leads to a uniform dispersion of nanotubes within the polymer matrix, in contrast to aggregated masses of nanotubes in the case of pristine-NTs. The covalent attachment of oligomeric units to the surface of nanotubes represents the formation of a functional nanoscale building block which can be readily dispersed and integrated within the polymer to form a novel composite material.

  15. Low work function, stable thin films

    DOE Patents [OSTI]

    Dinh, Long N.; McLean, II, William; Balooch, Mehdi; Fehring, Jr., Edward J.; Schildbach, Marcus A.

    2000-01-01

    Generation of low work function, stable compound thin films by laser ablation. Compound thin films with low work function can be synthesized by simultaneously laser ablating silicon, for example, and thermal evaporating an alkali metal into an oxygen environment. For example, the compound thin film may be composed of Si/Cs/O. The work functions of the thin films can be varied by changing the silicon/alkali metal/oxygen ratio. Low work functions of the compound thin films deposited on silicon substrates were confirmed by ultraviolet photoelectron spectroscopy (UPS). The compound thin films are stable up to 500.degree. C. as measured by x-ray photoelectron spectroscopy (XPS). Tests have established that for certain chemical compositions and annealing temperatures of the compound thin films, negative electron affinity (NEA) was detected. The low work function, stable compound thin films can be utilized in solar cells, field emission flat panel displays, electron guns, and cold cathode electron guns.

  16. Density functional theory for carbon dioxide crystal

    SciTech Connect (OSTI)

    Chang, Yiwen; Mi, Jianguo Zhong, Chongli

    2014-05-28

    We present a density functional approach to describe the solid?liquid phase transition, interfacial and crystal structure, and properties of polyatomic CO{sub 2}. Unlike previous phase field crystal model or density functional theory, which are derived from the second order direct correlation function, the present density functional approach is based on the fundamental measure theory for hard-sphere repulsion in solid. More importantly, the contributions of enthalpic interactions due to the dispersive attractions and of entropic interactions arising from the molecular architecture are integrated in the density functional model. Using the theoretical model, the predicted liquid and solid densities of CO{sub 2} at equilibrium triple point are in good agreement with the experimental values. Based on the structure of crystal-liquid interfaces in different planes, the corresponding interfacial tensions are predicted. Their respective accuracies need to be tested.

  17. Microsoft Word - IGCA Inventory Sub Guide 031611 | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    IGCA Inventory Sub Guide 031611 Microsoft Word - IGCA Inventory Sub Guide 031611 Microsoft Word - IGCA Inventory Sub Guide 031611 (264.84 KB) More Documents & Publications IGCA Inventory Sub Guide 040512 2015 Inherently Governmental and Commercial Activity (IGCA) Inventory Submission Guidance IGCA Training 2012

  18. IGCA Inventory Sub Guide 040512 | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Inventory Sub Guide 040512 IGCA Inventory Sub Guide 040512 IGCA_Inventory_Sub_Guide_040512.pdf (205.09 KB) More Documents & Publications 2015 Inherently Governmental and Commercial Activity (IGCA) Inventory Submission Guidance Microsoft Word - IGCA Inventory Sub Guide 031611 IGCA Training 2012

  19. Structure-Assisted Functional Anchor Implantation in Robust Metal...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Structure-Assisted Functional Anchor Implantation in Robust Metal-Organic Frameworks with ... functionality was performed to the functionalized framework via a click reaction. ...

  20. Functional electrolyte for lithium-ion batteries (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Data Explorer Search Results Functional electrolyte for lithium-ion batteries Title: Functional electrolyte for lithium-ion batteries Functional electrolyte solvents include ...

  1. Weak measurement and Bohmian conditional wave functions

    SciTech Connect (OSTI)

    Norsen, Travis; Struyve, Ward

    2014-11-15

    It was recently pointed out and demonstrated experimentally by Lundeen etal. that the wave function of a particle (more precisely, the wave function possessed by each member of an ensemble of identically-prepared particles) can be directly measured using weak measurement. Here it is shown that if this same technique is applied, with appropriate post-selection, to one particle from a perhaps entangled multi-particle system, the result is precisely the so-called conditional wave function of Bohmian mechanics. Thus, a plausibly operationalist method for defining the wave function of a quantum mechanical sub-system corresponds to the natural definition of a sub-system wave function which Bohmian mechanics uniquely makes possible. Similarly, a weak-measurement-based procedure for directly measuring a sub-systems density matrix should yield, under appropriate circumstances, the Bohmian conditional density matrix as opposed to the standard reduced density matrix. Experimental arrangements to demonstrate this behaviorand also thereby reveal the non-local dependence of sub-system state functions on distant interventionsare suggested and discussed. - Highlights: We study a direct measurement protocol for wave functions and density matrices. Weakly measured states of entangled particles correspond to Bohmian conditional states. Novel method of observing quantum non-locality is proposed.

  2. Proton structure functions at small x

    SciTech Connect (OSTI)

    Hentschinski, Martin

    2015-01-01

    Proton structure functions are measured in electron-proton collision through inelastic scattering of virtual photons with virtuality Q on protons; x denotes the momentum fraction carried by the struck parton. Proton structure functions are currently described with excellent accuracy in terms of scale dependent parton distribution functions, defined in terms of collinear factorization and DGLAP evolution in Q. With decreasing x however, parton densities increase and are ultimately expected to saturate. In this regime DGLAP evolution will finally break down and non-linear evolution equations w.r.t x are expected to take over. In the first part of the talk we present recent result on an implementation of physical DGLAP evolution. Unlike the conventional description in terms of parton distribution functions, the former describes directly the Q dependence of the measured structure functions. It is therefore physical insensitive to factorization scheme and scale ambiguities. It therefore provides a more stringent test of DGLAP evolution and eases the manifestation of (non-linear) small x effects. It however requires a precise measurement of both structure functions F2 and FL, which will be only possible at future facilities, such as an Electron Ion Collider. In the second part we present a recent analysis of the small x region of the combined HERA data on the structure function F2. We demonstrate that (linear) next-to-leading order BFKL evolution describes the effective Pomeron intercept, determined from the combined HERA data, once a resummation of collinear enhanced terms is included and the renormalization scale is fixed using the BLM optimal scale setting procedure. We also provide a detailed description of the Q and x dependence of the full structure functions F2 in the small x region, as measured at HERA. As a result, predictions for the structure function FL are found to be in agreement with the existing HERA

  3. Proton structure functions at small x

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hentschinski, Martin

    2015-01-01

    Proton structure functions are measured in electron-proton collision through inelastic scattering of virtual photons with virtuality Q on protons; x denotes the momentum fraction carried by the struck parton. Proton structure functions are currently described with excellent accuracy in terms of scale dependent parton distribution functions, defined in terms of collinear factorization and DGLAP evolution in Q. With decreasing x however, parton densities increase and are ultimately expected to saturate. In this regime DGLAP evolution will finally break down and non-linear evolution equations w.r.t x are expected to take over. In the first part of the talk we present recentmore » result on an implementation of physical DGLAP evolution. Unlike the conventional description in terms of parton distribution functions, the former describes directly the Q dependence of the measured structure functions. It is therefore physical insensitive to factorization scheme and scale ambiguities. It therefore provides a more stringent test of DGLAP evolution and eases the manifestation of (non-linear) small x effects. It however requires a precise measurement of both structure functions F2 and FL, which will be only possible at future facilities, such as an Electron Ion Collider. In the second part we present a recent analysis of the small x region of the combined HERA data on the structure function F2. We demonstrate that (linear) next-to-leading order BFKL evolution describes the effective Pomeron intercept, determined from the combined HERA data, once a resummation of collinear enhanced terms is included and the renormalization scale is fixed using the BLM optimal scale setting procedure. We also provide a detailed description of the Q and x dependence of the full structure functions F2 in the small x region, as measured at HERA. As a result, predictions for the structure function FL are found to be in agreement with the existing HERA data.« less

  4. Surface-functionalized mesoporous carbon materials

    DOE Patents [OSTI]

    Dai, Sheng; Gorka, Joanna; Mayes, Richard T.

    2016-02-02

    A functionalized mesoporous carbon composition comprising a mesoporous carbon scaffold having mesopores in which polyvinyl polymer grafts are covalently attached, wherein said mesopores have a size of at least 2 nm and up to 50 nm. Also described is a method for producing the functionalized mesoporous composition, wherein a reaction medium comprising a precursor mesoporous carbon, vinyl monomer, initiator, and solvent is subjected to sonication of sufficient power to result in grafting and polymerization of the vinyl monomer into mesopores of the precursor mesoporous carbon. Also described are methods for using the functionalized mesoporous carbon, particularly in extracting metal ions from metal-containing solutions.

  5. Loop expansion in a functional space

    SciTech Connect (OSTI)

    Kroger, H.; Labelle, P.

    1989-07-15

    As an alternative to the loop expansion of the effective potential, wesuggest a functional expansion of the generating functional for an/ital n/-point Euclidean Green's function. The formulation of the scheme isindependent of the space-time dimension of the model. The scheme yieldsstandard perturbation theory in the regime of a small coupling constant andallows to extract information on the regime of strong coupling. As an explicitexample we consider the scalar /Phi//sup 4/ model and computecontributions up to the four-loop level.

  6. Dipole rescattering and the nuclear structure function

    SciTech Connect (OSTI)

    Carvalho, F.; Goncalves, V. P.; Navarra, F. S.; Oliveira, E. G.

    2013-03-25

    In the framework of the dipole model, we study the effects of the dipole multiple scatterings in a nuclear target and compute the nuclear structure function. We compare different unitarization schemes and confront our results with the E665 data.

  7. Physicochemically functional ultrathin films by interfacial polymerization

    DOE Patents [OSTI]

    Lonsdale, Harold K.; Babcock, Walter C.; Friensen, Dwayne T.; Smith, Kelly L.; Johnson, Bruce M.; Wamser, Carl C.

    1990-01-01

    Interfacially-polymerized ultrathin films containing physicochemically functional groups are disclosed, both with and without supports. Various applications are disclsoed, including membrane electrodes, selective membranes and sorbents, biocompatible materials, targeted drug delivery, and narrow band optical absorbers.

  8. Physicochemically functional ultrathin films by interfacial polymerization

    DOE Patents [OSTI]

    Lonsdale, H.K.; Babcock, W.C.; Friensen, D.T.; Smith, K.L.; Johnson, B.M.; Wamser, C.C.

    1990-08-14

    Interfacially-polymerized ultrathin films containing physicochemically functional groups are disclosed, both with and without supports. Various applications are disclosed, including membrane electrodes, selective membranes and sorbents, biocompatible materials, targeted drug delivery, and narrow band optical absorbers. 3 figs.

  9. Crystallization and functionality of inorganic materials

    SciTech Connect (OSTI)

    Xue, Dongfeng, E-mail: dongfeng@ciac.jl.cn [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China) [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China); Li, Keyan [School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China)] [School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China); Liu, Jun [Key Laboratory of Low Dimensional Materials and Application Technology, Ministry of Education, Faculty of Materials, Optoelectronics and Physics, Xiangtan University, 411105 (China)] [Key Laboratory of Low Dimensional Materials and Application Technology, Ministry of Education, Faculty of Materials, Optoelectronics and Physics, Xiangtan University, 411105 (China); Sun, Congting; Chen, Kunfeng [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China) [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China)

    2012-10-15

    In this article, we briefly summarized our recent work on the studies of crystallization and functionality of inorganic materials. On the basis of the chemical bonding theory of single crystal growth, we can quantitatively simulate Cu{sub 2}O crystallization processes in solution system. We also kinetically controlled Cu{sub 2}O crystallization process in the reduction solution route. Lithium ion battery and supercapacitor performances of some oxides such as Co{sub 3}O{sub 4} and MnO{sub 2} were shown to elucidate the important effect of crystallization on functionality of inorganic materials. This work encourages us to create novel functionalities through the study of crystallization of inorganic materials, which warrants more chances in the field of functional materials.

  10. Parallel 3D Fast Fourier Transform Functions

    Energy Science and Technology Software Center (OSTI)

    2008-12-19

    BigFFT is a scalable implementation of a three dimensional Fast Fourier Transform operation. Functions are included for forward and backward real-to-complex 3D transforms.

  11. Sequential Linker Installation: Precise Placement of Functional...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    developed to construct multivariate MOFs with functional groups precisely positioned. PCN-700, a Zr-MOF with eight-connected Zr6O4(OH)8(H2O)4 clusters, has been judiciously...

  12. MDF Form and Function (Text Version)

    Broader source: Energy.gov [DOE]

    This is a text version of the Manufacturing Demonstration Facilities (MDF) Form and Function video, originally presented on March 12, 2012 at the MDF Workshop held in Chicago, Illinois.

  13. Safety Management Functions, Responsibilities, and Authorities Manual

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1997-10-08

    This Manual defines safety management functions, responsibilities, and authorities for DOE senior management with responsibilities for line, support, oversight, and enforcement actions. Canceled by DOE M 411.1-1A. Does not cancel other directives.

  14. Emergency Support Function #12; Energy Annex

    Broader source: Energy.gov [DOE]

    Emergency Support Function (ESF) #12 – Energy is intended to facilitate the restoration of damaged energy systems and components when activated by the Secretary of Homeland Security for incidents...

  15. Critical Assessment of Function Annotation Meeting, 2011

    SciTech Connect (OSTI)

    Friedberg, Iddo

    2015-01-21

    The Critical Assessment of Function Annotation meeting was held July 14-15, 2011 at the Austria Conference Center in Vienna, Austria. There were 73 registered delegates at the meeting. We thank the DOE for this award. It helped us organize and support a scientific meeting AFP 2011 as a special interest group (SIG) meeting associated with the ISMB 2011 conference. The conference was held in Vienna, Austria, in July 2011. The AFP SIG was held on July 15-16, 2011 (immediately preceding the conference). The meeting consisted of two components, the first being a series of talks (invited and contributed) and discussion sections dedicated to protein function research, with an emphasis on the theory and practice of computational methods utilized in functional annotation. The second component provided a large-scale assessment of computational methods through participation in the Critical Assessment of Functional Annotation (CAFA).

  16. Subtask 5: Functional nanostructured transparent electrode materials...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    5: Functional nanostructured transparent electrode materials All papers by year Subtask 1 Subtask 2 Subtask 3 Subtask 4 Subtask 5 Jeon, K.-W. and Seo, D.-K. (2014) Concomitant...

  17. Safety Management Functions, Responsibilities, and Authorities Manual

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2003-12-31

    This Manual defines safety management functions, responsibilities, and authorities for DOE senior management with responsibilities for line, support, oversight, and enforcement actions. Cancels DOE M 411.1-1B. Canceled by DOE O 450.2.

  18. 6.20 Mapping Human Brain Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    0 612011 6.20 Mapping Human Brain Function Many mysteries of the human brain have been unraveled by positron emission tomography (PET), an imaging tool used worldwide to diagnose ...

  19. Safety Management Functions, Responsibilities, and Authorities

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2001-05-22

    This Manual provides the responsibilities of Headquarters and field element offices required by DOE P 411.1, Safety Management Functions, Responsibilities and Authorities Policy, dated 1-28-97. It also contains detailed requirements to supplement the policy's direction for each DOE organization having safety management functions to establish and maintain separate documentation of their responsibilities and authorities. Cancels DOE M 411.1-1A. Canceled by DOE M 411.1-1C.

  20. Structure functions and intrinsic quark orbital motion

    SciTech Connect (OSTI)

    Zavada, Petr

    2007-06-13

    Covariant version of the quark model is studied. It is shown how the polarized and unpolarized structure functions depend on the quark intrinsic motion. The important role of the quark orbital momentum, by which the intrinsic motion is generated, appears as a direct consequence of the covariant description. At the same time, the procedure for obtaining 3D quark momentum distribution from the structure functions is suggested.

  1. Density-dependent covariant energy density functionals

    SciTech Connect (OSTI)

    Lalazissis, G. A.

    2012-10-20

    Relativistic nuclear energy density functionals are applied to the description of a variety of nuclear structure phenomena at and away fromstability line. Isoscalar monopole, isovector dipole and isoscalar quadrupole giant resonances are calculated using fully self-consistent relativistic quasiparticle randomphase approximation, based on the relativistic Hartree-Bogoliubovmodel. The impact of pairing correlations on the fission barriers in heavy and superheavy nuclei is examined. The role of pion in constructing desnity functionals is also investigated.

  2. Translocator Protein Structure and Function | Stanford Synchrotron

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Radiation Lightsource Translocator Protein Structure and Function Monday, November 30, 2015 Translocator protein (TSPO) is an ancient conserved protein whose functions in bacteria and higher eukaryotes are yet to be clearly defined in spite of more than 30 years of study. In mitochondria, it was first recognized as an outer membrane protein that binds benzodiazepine drugs, but distinct from the central nervous system site, the GABAA receptor(1). Originally called the peripheral

  3. Peptoid Nanosheets Offer a Diversity of Functionalities

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Peptoid Nanosheets Offer a Diversity of Functionalities Peptoid Nanosheets Offer a Diversity of Functionalities Print Wednesday, 29 April 2015 00:00 Researchers at the ALS have recently observed peptoid nanosheets-two-dimensional biomimetic materials with customizable properties-as they self-assemble at an oil-water interface. These nanosheets are an emerging class of two-dimensional nanomaterials that have the potential for use in a variety of applications ranging from molecular sensors to

  4. Extraction of Transversity and Collins Functions

    SciTech Connect (OSTI)

    Anselmino, Mauro; Boglione, Mariaelena; D'Alesio, Umberto; Melis, Stefano; Murgia, Francesco; Prokudin, Alexei

    2014-01-01

    We present a global re-analysis of recent experimental data on azimuthal asymmetries in semi-inclusive deep inelastic scattering, from the HERMES and COMPASS Collaborations, and in e{sup +}e{sup -} --> h_1h_2X processes, from the Belle Collaboration. The transversity distribution and the Collins functions are extracted simultaneously, in a revised analysis which also takes into account a new parameterization of the unknown functions.

  5. The geometry of electron wave functions

    SciTech Connect (OSTI)

    Aminov, Yurii A

    2013-02-28

    To each wave function we assign a codimension-two submanifold in Euclidean space. We study the case of the wave function of a single electron in the hydrogen atom or other hydrogen-type atoms with quantum numbers n, l, m in detail. We prove theorems describing the behaviour of the scalar and sectional curvature of the constructed submanifold, depending on the quantum numbers. We also consider the external geometry of the submanifold. Bibliography: 9 titles.

  6. Electroweak fragmentation functions for dark matter annihilation

    SciTech Connect (OSTI)

    Cavasonza, Leila Ali; Krämer, Michael; Pellen, Mathieu

    2015-02-18

    Electroweak corrections can play a crucial role in dark matter annihilation. The emission of gauge bosons, in particular, leads to a secondary flux consisting of all Standard Model particles, and may be described by electroweak fragmentation functions. To assess the quality of the fragmentation function approximation to electroweak radiation in dark matter annihilation, we have calculated the flux of secondary particles from gauge-boson emission in models with Majorana fermion and vector dark matter, respectively. For both models, we have compared cross sections and energy spectra of positrons and antiprotons after propagation through the galactic halo in the fragmentation function approximation and in the full calculation. Fragmentation functions fail to describe the particle fluxes in the case of Majorana fermion annihilation into light fermions: the helicity suppression of the lowest-order cross section in such models cannot be lifted by the leading logarithmic contributions included in the fragmentation function approach. However, for other classes of models like vector dark matter, where the lowest-order cross section is not suppressed, electroweak fragmentation functions provide a simple, model-independent and accurate description of secondary particle fluxes.

  7. When Function Follows Form: Plastic Solar Cells | ANSER Center...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    When Function Follows Form: Plastic Solar Cells Home > Research > ANSER Research Highlights > When Function Follows Form: Plastic Solar Cells...

  8. Coulomb wave functions in momentum space

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Eremenko, V; Upadhyay, N. J.; Thompson, I J; Elster, Charlotte; Nunes, F. M.; Arbanas, Goran; Escher, J.E.; Hlophe, L.

    2015-01-01

    An algorithm to calculate non-relativistic partial-wave Coulomb functions in momentum space is presented. The arguments are the Sommerfeld parameter eta, the angular momentum l, the asymptotic momentum q and the 'running' momentum p, where both momenta are real. Since the partial-wave Coulomb functions exhibit singular behavior when p -> q, different representations of the Legendre functions of the 2nd kind need to be implemented in computing the functions for the values of p close to the singularity and far away from it. The code for the momentum-space Coulomb wave functions is applicable for values of vertical bar eta vertical barmore » in the range of 10(-1) to 10, and thus is particularly suited for momentum space calculations of nuclear reactions. Program Summary Program title: libcwfn Catalogue identifier: AEUQ_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEUQ_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.: 864503 No. of bytes in distributed program, including test data, etc.: 7178021 Distribution format: tar.gz Programming language: Fortran 90, Fortran 77, Python, make (GNU Make dialect), GNU Bash shell interpreter (available as /bin/bash). Computer: Apple Powermac (Intel Xeon), ASUS K53U (AMD E-350 (Dual Core)), DELL Precision T3500 (Intel Xeon), NERSC Carver (Intel Nehalem Quad Core). Operating system: Linux, Windows (using Cygwin). RAM: less than 512 Mbytes Classification: 17.8, 17.13, 17.16. Nature of problem: The calculation of partial wave Coulomb functions with integer land all other arguments real. Solution method: Computing the value of the function using explicit formulae and algorithms. Running time: Less than 10(-3) s. (C) 2014 Elsevier B.V. All rights reserved.« less

  9. Coulomb wave functions in momentum space

    SciTech Connect (OSTI)

    Eremenko, V; Upadhyay, N. J.; Thompson, I J; Elster, Charlotte; Nunes, F. M.; Arbanas, Goran; Escher, J.E.; Hlophe, L.

    2015-01-01

    An algorithm to calculate non-relativistic partial-wave Coulomb functions in momentum space is presented. The arguments are the Sommerfeld parameter eta, the angular momentum l, the asymptotic momentum q and the 'running' momentum p, where both momenta are real. Since the partial-wave Coulomb functions exhibit singular behavior when p -> q, different representations of the Legendre functions of the 2nd kind need to be implemented in computing the functions for the values of p close to the singularity and far away from it. The code for the momentum-space Coulomb wave functions is applicable for values of vertical bar eta vertical bar in the range of 10(-1) to 10, and thus is particularly suited for momentum space calculations of nuclear reactions. Program Summary Program title: libcwfn Catalogue identifier: AEUQ_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEUQ_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.: 864503 No. of bytes in distributed program, including test data, etc.: 7178021 Distribution format: tar.gz Programming language: Fortran 90, Fortran 77, Python, make (GNU Make dialect), GNU Bash shell interpreter (available as /bin/bash). Computer: Apple Powermac (Intel Xeon), ASUS K53U (AMD E-350 (Dual Core)), DELL Precision T3500 (Intel Xeon), NERSC Carver (Intel Nehalem Quad Core). Operating system: Linux, Windows (using Cygwin). RAM: less than 512 Mbytes Classification: 17.8, 17.13, 17.16. Nature of problem: The calculation of partial wave Coulomb functions with integer land all other arguments real. Solution method: Computing the value of the function using explicit formulae and algorithms. Running time: Less than 10(-3) s. (C) 2014 Elsevier B.V. All rights reserved.

  10. HTGR Industrial Application Functional and Operational Requirements

    SciTech Connect (OSTI)

    L. E. Demick

    2010-08-01

    This document specifies the functional and performance requirements to be used in the development of the conceptual design of a high temperature gas-cooled reactor (HTGR) based plant supplying energy to a typical industrial facility. These requirements were developed from collaboration with industry and HTGR suppliers over the preceding three years to identify the energy needs of industrial processes for which the HTGR technology is technically and economically viable. The functional and performance requirements specified herein are an effective representation of the industrial sector energy needs and an effective basis for developing a conceptual design of the plant that will serve the broadest range of industrial applications.

  11. Method of making low work function component

    DOE Patents [OSTI]

    Robinson, Vance; Weaver, Stanton Earl; Michael, Joseph Darryl

    2011-11-15

    A method for fabricating a component is disclosed. The method includes: providing a member having an effective work function of an initial value, disposing a sacrificial layer on a surface of the member, disposing a first agent within the member to obtain a predetermined concentration of the agent at said surface of the member, annealing the member, and removing the sacrificial layer to expose said surface of the member, wherein said surface has a post-process effective work function that is different from the initial value.

  12. Photon structure function at small x

    SciTech Connect (OSTI)

    Gluck, M.; Reya, E.; Schienbein, I.

    2001-07-01

    It is shown that recent small-x measurements of the photon structure function F{sub 2}{sup {gamma}}(x,Q{sup 2}) by the CERN LEP OPAL Collaboration are consistent with parameter-free QCD predictions at all presently accessible values of Q{sup 2}.

  13. Aviation Safety Officer, Functional Area Qualification Standard

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2010-01-20

    The Aviation Safety Officer FAQS establishes common functional area competency requirements for all DOE aviation safety personnel who provide assistance, or direction, guidance, oversight, or evaluation of contractor technical activities that could impact the safe operation of DOE’s facilities.

  14. Safety Management Functions, Responsibilities, and Authorities Manual

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1999-10-18

    This Manual is a mechanism for implementing the Department's guiding principles established in DOE P 450.4 and the safety management functions outlined in DOE P 411.1 Cancels DOE M 411.1-1. Canceled by DOE M 411.1-1B.

  15. Liquid Observation Well (LOW) Functional Design

    SciTech Connect (OSTI)

    Paul, B.

    1995-01-04

    This document presents the Functional Design Criteria for installing Liquid Observation Wells (LOWS) into single-shell tanks containing either ferrocyanide or organic waste. The LOWs will be designed to accommodate the deployment of gamma, neutron, and electromagnetic induction probes and to interface with the existing tank structure and environment.

  16. Poly(ethyleneoxide) functionalization through alkylation

    DOE Patents [OSTI]

    Sivanandan, Kulandaivelu; Eitouni, Hany Basam; Li, Yan; Pratt, Russell Clayton

    2015-04-21

    A new and efficient method of functionalizing high molecular weight polymers through alkylation using a metal amide base is described. This novel procedure can also be used to synthesize polymer-based macro-initiators containing radical initiating groups at the chain-ends for synthesis of block copolymers.

  17. Functional Area Qualification Standard Job Task Analyses

    Broader source: Energy.gov [DOE]

    FAQS Job Task Analyses are performed on the Function Area Qualification Standards. The FAQS Job Task Analyses consists of: Developing a comprehensive list of tasks that define the job such as the duties and responsibilities which include determining their levels of importance and frequency. Identifying and evaluating competencies. Last step is evaluating linkage between job tasks and competencies.

  18. Aviation Manager Functional Area Qualification Standard

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2009-12-09

    The Aviation Manager FAQS establishes common functional area competency requirements for all DOE Aviation Manager personnel who provide assistance, direction, guidance, oversight, or evaluation of contractor technical activities that could impact the safe operation of DOE’s defense nuclear facilities.

  19. Multiple soft limits of cosmological correlation functions

    SciTech Connect (OSTI)

    Joyce, Austin; Khoury, Justin; Simonovi?, Marko E-mail: jkhoury@sas.upenn.edu

    2015-01-01

    We derive novel identities satisfied by inflationary correlation functions in the limit where two external momenta are taken to be small. We derive these statements in two ways: using background-wave arguments and as Ward identities following from the fixed-time path integral. Interestingly, these identities allow us to constrain some of the O(q{sup 2}) components of the soft limit, in contrast to their single-soft analogues. We provide several nontrivial checks of our identities both in the context of resonant non-Gaussianities and in small sound speed models. Additionally, we extend the relation at lowest order in external momenta to arbitrarily many soft legs, and comment on the many-soft extension at higher orders in the soft momentum. Finally, we consider how higher soft limits lead to identities satisfied by correlation functions in large-scale structure.

  20. Arterial endothelial function measurement method and apparatus

    DOE Patents [OSTI]

    Maltz, Jonathan S; Budinger, Thomas F

    2014-03-04

    A "relaxoscope" (100) detects the degree of arterial endothelial function. Impairment of arterial endothelial function is an early event in atherosclerosis and correlates with the major risk factors for cardiovascular disease. An artery (115), such as the brachial artery (BA) is measured for diameter before and after several minutes of either vasoconstriction or vasorelaxation. The change in arterial diameter is a measure of flow-mediated vasomodification (FMVM). The relaxoscope induces an artificial pulse (128) at a superficial radial artery (115) via a linear actuator (120). An ultrasonic Doppler stethoscope (130) detects this pulse 10-20 cm proximal to the point of pulse induction (125). The delay between pulse application and detection provides the pulse transit time (PTT). By measuring PTT before (160) and after arterial diameter change (170), FMVM may be measured based on the changes in PTT caused by changes in vessel caliber, smooth muscle tone and wall thickness.

  1. Infrared photoemitting diode having reduced work function

    DOE Patents [OSTI]

    Hirschfeld, T.B.

    1982-05-06

    In electro-optical detectors which include as elements a photoemitting photocathode and anode, a photoemitting diode is fabricated which lowers the diode's work function, thus reducing the cooling requirement typically needed for this type of device. The work function is reduced by sandwiching between the photocathode and anode a liquid meidum of the formula NR/sub 3/ and having an electron affinity for the electrons of the photocathode, which liquid medium permits free electrons leaving the photocathode to remain as stable solvated species in the liquid medium. Thus, highly light-absorbent, and therefore thin, metallic layers can be used for detection, thereby reducing dark current at a given temperature, with a consequent reduction in cooling requirements at constant detector performance.

  2. Infrared photoemitting diode having reduced work function

    DOE Patents [OSTI]

    Hirschfeld, Tomas B.

    1984-01-01

    In electro-optical detectors which include as elements a photoemitting photocathode and anode, a photoemitting diode is fabricated which lowers the diode's work function, thus reducing the cooling requirement typically needed for this type of device. The work function is reduced by sandwiching between the photocathode and anode a liquid medium of the formula NR.sub.3 and having an electron affinity for the electrons of the photocathode, which liquid medium permits free electrons leaving the photocathode to remain as stable solvated species in the liquid medium. Thus, highly light-absorbent, and therefore thin, metallic layers can be used for detection, thereby reducing dark current at a given temperature, with a consequent reduction in cooling requirements at constant detector performance.

  3. Bidirectional reflection functions from surface bump maps

    SciTech Connect (OSTI)

    Cabral, B.; Max, N.; Springmeyer, R.

    1987-04-29

    The Torrance-Sparrow model for calculating bidirectional reflection functions contains a geometrical attenuation factor to account for shadowing and occlusions in a hypothetical distribution of grooves on a rough surface. Using an efficient table-based method for determining the shadows and occlusions, we calculate the geometric attenuation factor for surfaces defined by a specific table of bump heights. Diffuse and glossy specular reflection of the environment can be handled in a unified manner by using an integral of the bidirectional reflection function times the environmental illumination, over the hemisphere of solid angle above a surface. We present a method of estimating the integral, by expanding the bidirectional reflection coefficient in spherical harmonics, and show how the coefficients in this expansion can be determined efficiently by reorganizing our geometric attenuation calculation.

  4. Density functional investigation of intermolecular effects on {sup 13}C NMR chemical-shielding tensors modeled with molecular clusters

    SciTech Connect (OSTI)

    Holmes, Sean T.; Dybowski, Cecil; Iuliucci, Robbie J.; Mueller, Karl T.

    2014-10-28

    A quantum-chemical method for modeling solid-state nuclear magnetic resonance chemical-shift tensors by calculations on large symmetry-adapted clusters of molecules is demonstrated. Four hundred sixty five principal components of the {sup 13}C chemical-shielding tensors of 24 organic materials are analyzed. The comparison of calculations on isolated molecules with molecules in clusters demonstrates that intermolecular effects can be successfully modeled using a cluster that represents a local portion of the lattice structure, without the need to use periodic-boundary conditions (PBCs). The accuracy of calculations which model the solid state using a cluster rivals the accuracy of calculations which model the solid state using PBCs, provided the cluster preserves the symmetry properties of the crystalline space group. The size and symmetry conditions that the model cluster must satisfy to obtain significant agreement with experimental chemical-shift values are discussed. The symmetry constraints described in the paper provide a systematic approach for incorporating intermolecular effects into chemical-shielding calculations performed at a level of theory that is more advanced than the generalized gradient approximation. Specifically, NMR parameters are calculated using the hybrid exchange-correlation functional B3PW91, which is not available in periodic codes. Calculations on structures of four molecules refined with density plane waves yield chemical-shielding values that are essentially in agreement with calculations on clusters where only the hydrogen sites are optimized and are used to provide insight into the inherent sensitivity of chemical shielding to lattice structure, including the role of rovibrational effects.

  5. Radiation Protection Functional Area Qualification Standard

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    MEASUREMENT SENSITIVE DOE-STD-1174-2013 November 2013 DOE STANDARD RADIATION PROTECTION FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. DOE-STD-1174-2013 This document is available on the Department of Energy Technical Standards Program Website at http://www.hss.energy.gov/nuclearsafety/techstds/ ii ii

  6. dual-function | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Novel Dual Functional Membrane for Controlling Carbon Dioxide Emissions from Fossil Fueled Power Plants Project No.: FG26-04NT42120 Microstructure of the composite membrane Overview of the microstructure of the composite membrane comprising of: (1) a commericially available tubular or hollow fiber ceramic support; (2) a mesoporous surfactant-templated silica sub-layer with pore size 15-50 Å; and (3) a Microporous aminosilicate gas separation membrane layer with pore size 4-10 Å. This completed

  7. Peptoid Nanosheets Offer a Diversity of Functionalities

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Peptoid Nanosheets Offer a Diversity of Functionalities Print Researchers at the ALS have recently observed peptoid nanosheets-two-dimensional biomimetic materials with customizable properties-as they self-assemble at an oil-water interface. These nanosheets are an emerging class of two-dimensional nanomaterials that have the potential for use in a variety of applications ranging from molecular sensors to artificial enzymes. Because peptoids are highly designable polymers, nanosheets provide a

  8. The Full Function Test Explosive Generator

    SciTech Connect (OSTI)

    Reisman, D B; Javedani, J B; Griffith, L V; Ellsworth, G F; Kuklo, R M; Goerz, D A; White, A D; Tallerico, L J; Gidding, D A; Murphy, M J; Chase, J B

    2009-12-13

    We have conducted three tests of a new pulsed power device called the Full Function Test (FFT). These tests represented the culmination of an effort to establish a high energy pulsed power capability based on high explosive pulsed power (HEPP) technology. This involved an extensive computational modeling, engineering, fabrication, and fielding effort. The experiments were highly successful and a new US record for magnetic energy was obtained.

  9. Functionalizing Nanotubes for Biomedical Applications - Donghui Zhang,

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Chemistry Department Functionalizing Nanotubes for Biomedical Applications Donghui Zhang, LSU Chemistry Department Carbon nanotubes (CNT) are one dimensional nano-structures with novel materials properties (e.g., high mechanical strength, thermal and electrical conductivity). Strategies that enable orientational or spatial control of CNT will facilitate their integration with existing technologies where their novel properties can be optimally utilized. In this project, Dr. Donhui Zhang, LSU

  10. Functional electrolyte for lithium-ion batteries

    DOE Patents [OSTI]

    Zhang, Lu; Zhang, Zhengcheng; Amine, Khalil

    2015-04-14

    Functional electrolyte solvents include compounds having at least one aromatic ring with 2, 3, 4 or 5 substituents, at least one of which is a substituted or unsubstituted methoxy group, at least one of which is a tert-butyl group and at least one of which is a substituted or unsubstituted polyether or poly(ethylene oxide) (PEO) group bonded through oxygen to the aromatic ring, are provided.

  11. Nuclear Safety Specialist Functional Area Qualification Standard

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    83-2007 November 2007 DOE STANDARD NUCLEAR SAFETY SPECIALIST FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. DOE-STD-1183-2007 ii This document is available on the Department of Energy Technical Standards Program Web Site at http://www.hss.energy.gov/nuclearsafety/techstds/ DOE-STD-1183-2007 iv INTENTIONALLY BLANK

  12. Occupational Safety Functional Area Qualification Standard

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    11 July 2011 DOE STANDARD OCCUPATIONAL SAFETY FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. NOT MEASUREMENT SENSITIVE DOE-STD-1160-2011 ii This document is available on the Department of Energy Technical Standards Program website at http://www.hss.energy.gov/nuclearsafety/ns/techstds/ DOE-STD-1160-2011 iv

  13. Quality Assurance Functional Area Qualification Standard

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    NOT MEASUREMENT SENSITIVE DOE-STD-1150-2013 December 2013 DOE STANDARD QUALITY ASSURANCE FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A: Approved for public release; distribution is unlimited. DOE-STD-1150-2013 This document is available on the Department of Energy Technical Standards Program Website at http://www.hss.energy.gov/nuclearsafety/ns/techstds/ ii

  14. Functional Area Criteria & Review Approach Documents

    Broader source: Energy.gov [DOE]

    CRADS provided on this page are provided as examples of functional area Objectives and Criteria used to evaluate how requirements are meet. They are only examples and should not be utilized as is. In accordance with DOE Standard 3006-2010, CRADs should be developed by team members to reflect the specifics of the proposed review (i.e., breadth and depth) as defined in the approved Plan of Action.

  15. Redshift distortions of galaxy correlation functions

    SciTech Connect (OSTI)

    Fry, J.N. Florida Univ., Gainesville, FL . Dept. of Physics); Gaztanaga, E. Oxford Univ. . Dept. of Physics)

    1993-05-12

    To examine how peculiar velocities can affect the 2-, 3-, and 4-point correlation functions, we evaluate volume-average correlations for configurations that emphasize and minimize distortions for four different volume-limited samples from each of the CfA, SSRS, and IRAS redshift catalogs. We present the results as the correlation length r[sub 0] and power index [gamma] of the 2-point correlation, [anti [Xi

  16. Peptoid Nanosheets Offer a Diversity of Functionalities

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Peptoid Nanosheets Offer a Diversity of Functionalities Print Researchers at the ALS have recently observed peptoid nanosheets-two-dimensional biomimetic materials with customizable properties-as they self-assemble at an oil-water interface. These nanosheets are an emerging class of two-dimensional nanomaterials that have the potential for use in a variety of applications ranging from molecular sensors to artificial enzymes. Because peptoids are highly designable polymers, nanosheets provide a

  17. Peptoid Nanosheets Offer a Diversity of Functionalities

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Peptoid Nanosheets Offer a Diversity of Functionalities Print Researchers at the ALS have recently observed peptoid nanosheets-two-dimensional biomimetic materials with customizable properties-as they self-assemble at an oil-water interface. These nanosheets are an emerging class of two-dimensional nanomaterials that have the potential for use in a variety of applications ranging from molecular sensors to artificial enzymes. Because peptoids are highly designable polymers, nanosheets provide a

  18. Peptoid Nanosheets Offer a Diversity of Functionalities

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Peptoid Nanosheets Offer a Diversity of Functionalities Print Researchers at the ALS have recently observed peptoid nanosheets-two-dimensional biomimetic materials with customizable properties-as they self-assemble at an oil-water interface. These nanosheets are an emerging class of two-dimensional nanomaterials that have the potential for use in a variety of applications ranging from molecular sensors to artificial enzymes. Because peptoids are highly designable polymers, nanosheets provide a

  19. Industrial Hygiene Functional Area Qualification Standard

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    38-2007 November 2007 DOE STANDARD INDUSTRIAL HYGIENE FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. DOE-STD-1138-2007 ii This document is available on the Department of Energy Technical Standards Program Web Site at http://www.hss.energy.gov/nuclearsafety/techstds/ DOE-STD-1138-2007 iv INTENTIONALLY BLANK

  20. Instrumentation and Control Functional Area Qualification Standard

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    NOT MEASUREMENT SENSITIVE DOE-STD-1162-2013 June 2013 DOE STANDARD INSTRUMENTATION AND CONTROL FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A: Approved for public release; distribution is unlimited. DOE-STD-1162-2013 This document is available on the Department of Energy Technical Standards Program website at http://www.hss.energy.gov/nuclearsafety/ns/techstds/ ii

  1. The structure and function of presynaptic endosomes

    SciTech Connect (OSTI)

    Jähne, Sebastian; Rizzoli, Silvio O.; Helm, Martin S.

    2015-07-15

    The function of endosomes and of endosome-like structures in the presynaptic compartment is still controversial. This is in part due to the absence of a consensus on definitions and markers for these compartments. Synaptic endosomes are sometimes seen as stable organelles, permanently present in the synapse. Alternatively, they are seen as short-lived intermediates in synaptic vesicle recycling, arising from the endocytosis of large vesicles from the plasma membrane, or from homotypic fusion of small vesicles. In addition, the potential function of the endosome is largely unknown in the synapse. Some groups have proposed that the endosome is involved in the sorting of synaptic vesicle proteins, albeit others have produced data that deny this possibility. In this review, we present the existing evidence for synaptic endosomes, we discuss their potential functions, and we highlight frequent technical pitfalls in the analysis of this elusive compartment. We also sketch a roadmap to definitely determine the role of synaptic endosomes for the synaptic vesicle cycle. Finally, we propose a common definition of synaptic endosome-like structures.

  2. Development of a functionalized Xenon biosensor

    SciTech Connect (OSTI)

    Spence, Megan M.; Ruiz, E. Janette; Rubin, Seth M.; Lowery, Thomas J.; Winssinger, Nicolas; Schultz, Peter G.; Wemmer, David E.; Pines, Alexander

    2004-03-25

    NMR-based biosensors that utilize laser-polarized xenon offer potential advantages beyond current sensing technologies. These advantages include the capacity to simultaneously detect multiple analytes, the applicability to in vivo spectroscopy and imaging, and the possibility of remote amplified detection. Here we present a detailed NMR characterization of the binding of a biotin-derivatized caged-xenon sensor to avidin. Binding of functionalized xenon to avidin leads to a change in the chemical shift of the encapsulated xenon in addition to a broadening of the resonance, both of which serve as NMR markers of ligand-target interaction. A control experiment in which the biotin-binding site of avidin was blocked with native biotin showed no such spectral changes, confirming that only specific binding, rather than nonspecific contact, between avidin and functionalized xenon leads to the effects on the xenon NMR spectrum. The exchange rate of xenon (between solution and cage) and the xenon spin-lattice relaxation rate were not changed significantly upon binding. We describe two methods for enhancing the signal from functionalized xenon by exploiting the laser-polarized xenon magnetization reservoir. We also show that the xenon chemical shifts are distinct for xenon encapsulated in different diastereomeric cage molecules. This demonstrates the potential for tuning the encapsulated xenon chemical shift, which is a key requirement for being able to multiplex the biosensor.

  3. Maximum entropy models of ecosystem functioning

    SciTech Connect (OSTI)

    Bertram, Jason

    2014-12-05

    Using organism-level traits to deduce community-level relationships is a fundamental problem in theoretical ecology. This problem parallels the physical one of using particle properties to deduce macroscopic thermodynamic laws, which was successfully achieved with the development of statistical physics. Drawing on this parallel, theoretical ecologists from Lotka onwards have attempted to construct statistical mechanistic theories of ecosystem functioning. Jaynes’ broader interpretation of statistical mechanics, which hinges on the entropy maximisation algorithm (MaxEnt), is of central importance here because the classical foundations of statistical physics do not have clear ecological analogues (e.g. phase space, dynamical invariants). However, models based on the information theoretic interpretation of MaxEnt are difficult to interpret ecologically. Here I give a broad discussion of statistical mechanical models of ecosystem functioning and the application of MaxEnt in these models. Emphasising the sample frequency interpretation of MaxEnt, I show that MaxEnt can be used to construct models of ecosystem functioning which are statistical mechanical in the traditional sense using a savanna plant ecology model as an example.

  4. Combined photonics and MEMs function demonstration

    SciTech Connect (OSTI)

    Blum, O.; Warren, M.E.; Hou, H.Q.; Choquette, K.D.; Rogers, M.S.; Sniegowski, J.J. [Sandia National Labs., Albuquerque, NM (United States); Carson, R.F. [Microoptical Devices, Inc., Albuquerque, NM (United States)

    1998-01-01

    The authors have recently demonstrated two prototypes where photonics and microelectromechanical system (MEMs) technologies have been integrated to show proof-of-principle functionality for weapon surety functions. These activities are part of a program which is exploring the miniaturization of electromechanical components for making weapon systems safer. Such miniaturization can lead to a low-cost, small, high-performance ``systems-on-a-chip``, and have many applications ranging from advanced military systems to large-volume commercial markets like automobiles, rf or land-based communications networks and equipment, or commercial electronics. One of the key challenges in realization of the microsystem is integration of several technologies including digital electronics; analog and rf electronics, optoelectronics (light emitting and detecting devices and circuits), sensors and actuators, and advanced packaging technologies. In this work the authors describe efforts in integrating MEMs and photonic functions and the fabrication constraints on both system components. Here, they discuss two examples of integration of MEMs and a photonic device. In the first instance, a MEMs locking device pin is driven by a voltage generated by photovoltaic cells connected in series, which are driven by a laser. In the second case, a VCSEL emitting at 1.06 {micro}m is packaged together with a metallized MEMs shutter. By appropriate alignment to the opening in the shutter, the VCSEL is turned on and off by the movement of the Si chopper wheel.

  5. Functional and Structural Characterization of Human V3-Specific...

    Office of Scientific and Technical Information (OSTI)

    Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody 2424 ... Title: Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody ...

  6. Structure and function of lysosomal ;#8203;phospholipase A2 and...

    Office of Scientific and Technical Information (OSTI)

    function of lysosomal ;8203;phospholipase A2 and ;8203;lecithin:cholesterol acyltransferase Citation Details In-Document Search Title: Structure and function of lysosomal...

  7. Density Functional Theory Approach to Nuclear Fission (Conference...

    Office of Scientific and Technical Information (OSTI)

    Density Functional Theory Approach to Nuclear Fission Citation Details In-Document Search Title: Density Functional Theory Approach to Nuclear Fission You are accessing a document ...

  8. Density Functional Theory Study of Surface Carbonate Formation...

    Office of Scientific and Technical Information (OSTI)

    Density Functional Theory Study of Surface Carbonate Formation on BaO(001) Citation Details In-Document Search Title: Density Functional Theory Study of Surface Carbonate Formation ...

  9. De novo design of functional proteins: Toward artificial hydrogenases

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    De novo design of functional proteins: Toward artificial hydrogenases Authors: Faiella, M., Roy, A., Sommer, D., Ghirlanda, G. Title: De novo design of functional proteins: Toward ...

  10. SECURITY CORE FUNCTION AND DEFINITION REPORT | Department of...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    SECURITY CORE FUNCTION AND DEFINITION REPORT SECURITY CORE FUNCTION AND DEFINITION REPORT The first phase of the Lemnos Interoperable Security Program shall lay the foundation for ...

  11. ALS Capabilities Reveal Multiple Functions of Ebola Virus

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reveal Multiple Functions of Ebola Virus Print A central dogma of molecular biology is that a protein's sequence dictates its fold, and the fold dictates its function....

  12. Error Analysis in Nuclear Density Functional Theory (Journal...

    Office of Scientific and Technical Information (OSTI)

    Error Analysis in Nuclear Density Functional Theory Citation Details In-Document Search Title: Error Analysis in Nuclear Density Functional Theory Authors: Schunck, N ; McDonnell,...

  13. Error Analysis in Nuclear Density Functional Theory (Journal...

    Office of Scientific and Technical Information (OSTI)

    Error Analysis in Nuclear Density Functional Theory Citation Details In-Document Search Title: Error Analysis in Nuclear Density Functional Theory You are accessing a document...

  14. Deep Bed Adsorption Testing using Silver-Functionalized Aerogel...

    Office of Scientific and Technical Information (OSTI)

    Deep Bed Adsorption Testing using Silver-Functionalized Aerogel Citation Details In-Document Search Title: Deep Bed Adsorption Testing using Silver-Functionalized Aerogel Nuclear ...

  15. Pairing Nambu-Goldstone Modes within Nuclear Density Functional...

    Office of Scientific and Technical Information (OSTI)

    Pairing Nambu-Goldstone Modes within Nuclear Density Functional Theory Citation Details ... Title: Pairing Nambu-Goldstone Modes within Nuclear Density Functional Theory Authors: ...

  16. Emergency Support Function #12; Energy Annex - Support Agencies...

    Energy Savers [EERE]

    Annex - Support Agencies Emergency Support Function 12; Energy Annex - Support Agencies Emergency Support Function 12 - Energy Annex - Support Agencies and their related...

  17. Structures for Three Membrane Transport Proteins Yield Functional...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Structures for Three Membrane Transport Proteins Yield Functional Insights Structures for Three Membrane Transport Proteins Yield Functional Insights Print Wednesday, 27 January ...

  18. Accuracy of density functionals for molecular electronics: The...

    Office of Scientific and Technical Information (OSTI)

    Accuracy of density functionals for molecular electronics: The Anderson junction Title: Accuracy of density functionals for molecular electronics: The Anderson junction Authors: ...

  19. From Protein Structure to Function: Ring Cycle for Dilating and...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    From Protein Structure to Function: Ring Cycle for Dilating and Constricting the Nuclear Pore From Protein Structure to Function: Ring Cycle for Dilating and Constricting the...

  20. Green's function multiple-scattering theory with a truncated...

    Office of Scientific and Technical Information (OSTI)

    Green's function multiple-scattering theory with a truncated basis set: An augmented-KKR formalism Prev Next Title: Green's function multiple-scattering theory with a ...

  1. Measurement of brachial artery endothelial function using a standard...

    Office of Scientific and Technical Information (OSTI)

    Measurement of brachial artery endothelial function using a standard blood pressure cuff ... artery endothelial function using a standard blood pressure cuff Authors: Maltz, ...

  2. Probability Density Function Method for Langevin Equations with...

    Office of Scientific and Technical Information (OSTI)

    Probability Density Function Method for Langevin Equations with Colored Noise Citation Details In-Document Search Title: Probability Density Function Method for Langevin Equations ...

  3. Internal compiler error for function pointer with identically...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Internal compiler error for function pointer with identically named arguments Internal compiler error for function pointer with identically named arguments June 9, 2015 by Scott...

  4. Catalyst functionalized buffer sorbent pebbles for rapid separation...

    Office of Scientific and Technical Information (OSTI)

    Catalyst functionalized buffer sorbent pebbles for rapid separation of carbon dioxide from gas mixtures Title: Catalyst functionalized buffer sorbent pebbles for rapid separation ...

  5. Research Update: Towards designed functionalities in oxide-based...

    Office of Scientific and Technical Information (OSTI)

    Research Update: Towards designed functionalities in oxide-based electronic materials Citation Details In-Document Search Title: Research Update: Towards designed functionalities...

  6. Smisc - A collection of miscellaneous functions

    SciTech Connect (OSTI)

    Landon Sego, PNNL

    2015-08-31

    A collection of functions for statistical computing and data manipulation. These include routines for rapidly aggregating heterogeneous matrices, manipulating file names, loading R objects, sourcing multiple R files, formatting datetimes, multi-core parallel computing, stream editing, specialized plotting, etc. • Smisc-package A collection of miscellaneous functions allMissing Identifies missing rows or columns in a data frame or matrix as.numericSilent Silent wrapper for coercing a vector to numeric comboList Produces all possible combinations of a set of linear model predictors cumMax Computes the maximum of the vector up to the current index cumsumNA Computes the cummulative sum of a vector without propogating NAs d2binom Probability functions for the sum of two independent binomials dataIn A flexible way to import data into R. dbb The Beta-Binomial Distribution df2list Row-wise conversion of a data frame to a list dfplapply Parallelized single row processing of a data frame dframeEquiv Examines the equivalence of two dataframes or matrices dkbinom Probability functions for the sum of k independent binomials factor2character Converts all factor variables in a dataframe to character variables findDepMat Identify linearly dependent rows or columns in a matrix formatDT Converts date or datetime strings into alternate formats getExtension Filename manipulations: remove the extension or path, extract the extension or path getPath Filename manipulations: remove the extension or path, extract the extension or path grabLast Filename manipulations: remove the extension or path, extract the extension or path ifelse1 Non-vectorized version of ifelse integ Simple numerical integration routine interactionPlot Two-way Interaction Plot with Error Bar linearMap Linear mapping of a numerical vector or scalar list2df Convert a list to a data frame loadObject Loads and returns the object(s) in an ".Rdata" file more Display the contents of a file to the R terminal movAvg2

  7. Smisc - A collection of miscellaneous functions

    Energy Science and Technology Software Center (OSTI)

    2015-08-31

    A collection of functions for statistical computing and data manipulation. These include routines for rapidly aggregating heterogeneous matrices, manipulating file names, loading R objects, sourcing multiple R files, formatting datetimes, multi-core parallel computing, stream editing, specialized plotting, etc. • Smisc-package A collection of miscellaneous functions allMissing Identifies missing rows or columns in a data frame or matrix as.numericSilent Silent wrapper for coercing a vector to numeric comboList Produces all possible combinations of a set ofmore » linear model predictors cumMax Computes the maximum of the vector up to the current index cumsumNA Computes the cummulative sum of a vector without propogating NAs d2binom Probability functions for the sum of two independent binomials dataIn A flexible way to import data into R. dbb The Beta-Binomial Distribution df2list Row-wise conversion of a data frame to a list dfplapply Parallelized single row processing of a data frame dframeEquiv Examines the equivalence of two dataframes or matrices dkbinom Probability functions for the sum of k independent binomials factor2character Converts all factor variables in a dataframe to character variables findDepMat Identify linearly dependent rows or columns in a matrix formatDT Converts date or datetime strings into alternate formats getExtension Filename manipulations: remove the extension or path, extract the extension or path getPath Filename manipulations: remove the extension or path, extract the extension or path grabLast Filename manipulations: remove the extension or path, extract the extension or path ifelse1 Non-vectorized version of ifelse integ Simple numerical integration routine interactionPlot Two-way Interaction Plot with Error Bar linearMap Linear mapping of a numerical vector or scalar list2df Convert a list to a data frame loadObject Loads and returns the object(s) in an ".Rdata" file more Display the contents of a file to the R terminal movAvg2

  8. The problem of the universal density functional and the density matrix functional theory

    SciTech Connect (OSTI)

    Bobrov, V. B. Trigger, S. A.

    2013-04-15

    The analysis in this paper shows that the Hohenberg-Kohn theorem is the constellation of two statements: (i) the mathematically rigorous Hohenberg-Kohn lemma, which demonstrates that the same ground-state density cannot correspond to two different potentials of an external field, and (ii) the hypothesis of the existence of the universal density functional. Based on the obtained explicit expression for the nonrel-ativistic particle energy in a local external field, we prove that the energy of the system of more than two non-interacting electrons cannot be a functional of the inhomogeneous density. This result is generalized to the system of interacting electrons. It means that the Hohenberg-Kohn lemma cannot provide justification of the universal density functional for fermions. At the same time, statements of the density functional theory remain valid when considering any number of noninteracting ground-state bosons due to the Bose condensation effect. In the framework of the density matrix functional theory, the hypothesis of the existence of the universal density matrix functional corresponds to the cases of noninteracting particles and to interaction in the Hartree-Fock approximation.

  9. Before the Senate Homeland Security and Governmental Affairs Subcommittee on Federal Financial Management, Government Information, Federal Services and International Security

    Broader source: Energy.gov [DOE]

    Subject: Cutting the Federal Government's Energy Bill: An Examination of the Sustainable Federal Government Executive Order 13524 By: Richard Kidd, Program Manager Federal Energy Management Program, Office of Energy Efficiency and Renewable Energy

  10. Before the Senate Homeland Security and Governmental Affairs Subcommittee on Federal Financial Management, Government Information, Federal Services, and International Security

    Office of Energy Efficiency and Renewable Energy (EERE)

    Subject: Cost-Plus Award Fee By: Edward R. Simpson, Director, Office of Procurement and Assistance Management, Office of Management

  11. The circular velocity function of group galaxies

    SciTech Connect (OSTI)

    Abramson, Louis E.; Williams, Rik J.; Benson, Andrew J.; Kollmeier, Juna A.; Mulchaey, John S.

    2014-09-20

    A robust prediction of ΛCDM cosmology is the halo circular velocity function (CVF), a dynamical cousin of the halo mass function. The correspondence between theoretical and observed CVFs is uncertain, however: cluster galaxies are reported to exhibit a power-law CVF consistent with N-body simulations, but that of the field is distinctly Schechter-like, flattened compared to ΛCDM expectations at circular velocities v {sub c} ≲ 200 km s{sup –1}. Groups offer a powerful probe of the role environment plays in this discrepancy as they bridge the field and clusters. Here, we construct the CVF for a large, mass- and multiplicity-complete sample of group galaxies from the Sloan Digital Sky Survey. Using independent photometric v {sub c} estimators, we find no transition from field to ΛCDM-shaped CVF above v {sub c} = 50 km s{sup –1} as a function of group halo mass. All groups with 12.4 ≲ log M {sub halo}/M {sub ☉} ≲ 15.1 (Local Group analogs to rich clusters) display similar Schechter-like CVFs marginally suppressed at low v {sub c} compared to that of the field. Conversely, some agreement with N-body results emerges for samples saturated with late-type galaxies, with isolated late-types displaying a CVF similar in shape to ΛCDM predictions. We conclude that the flattening of the low-v {sub c} slope in groups is due to their depressed late-type fractions—environment affecting the CVF only to the extent that it correlates with this quantity—and that previous cluster analyses may suffer from interloper contamination. These results serve as useful benchmarks for cosmological simulations of galaxy formation.

  12. Patterned functional carbon fibers from polyethylene

    SciTech Connect (OSTI)

    Hunt, Marcus A; Saito, Tomonori; Brown, Rebecca H; Kumbhar, Amar S; Naskar, Amit K

    2012-01-01

    Patterned, continuous carbon fibers with controlled surface geometry were produced from a novel melt-processible carbon precursor. This portends the use of a unique technique to produce such technologically innovative fibers in large volume for important applications. The novelties of this technique include ease of designing and fabricating fibers with customized surface contour, the ability to manipulate filament diameter from submicron scale to a couple of orders of magnitude larger scale, and the amenable porosity gradient across the carbon wall by diffusion controlled functionalization of precursor. The geometry of fiber cross-section was tailored by using bicomponent melt-spinning with shaped dies and controlling the melt-processing of the precursor polymer. Circular, trilobal, gear-shaped hollow fibers, and solid star-shaped carbon fibers of 0.5 - 20 um diameters, either in self-assembled bundle form, or non-bonded loose filament form, were produced by carbonizing functionalized-polyethylene fibers. Prior to carbonization, melt-spun fibers were converted to a char-forming mass by optimizing the sulfonation on polyethylene macromolecules. The fibers exhibited distinctly ordered carbon morphologies at the outside skin compared to the inner surface or fiber core. Such order in carbon microstructure can be further tuned by altering processing parameters. Partially sulfonated polyethylene-derived hollow carbon fibers exhibit 2-10 fold surface area (50-500 m2/g) compared to the solid fibers (10-25 m2/g) with pore sizes closer to the inside diameter of the filaments larger than the sizes on the outer layer. These specially functionalized carbon fibers hold promise for extraordinary performance improvements when used, for example, as composite reinforcements, catalyst support media, membranes for gas separation, CO2 sorbents, and active electrodes and current collectors for energy storage applications.

  13. A Green's function quantum average atom model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Starrett, Charles Edward

    2015-05-21

    A quantum average atom model is reformulated using Green's functions. This allows integrals along the real energy axis to be deformed into the complex plane. The advantage being that sharp features such as resonances and bound states are broadened by a Lorentzian with a half-width chosen for numerical convenience. An implementation of this method therefore avoids numerically challenging resonance tracking and the search for weakly bound states, without changing the physical content or results of the model. A straightforward implementation results in up to a factor of 5 speed-up relative to an optimized orbital based code.

  14. Accelerating functional verification of an integrated circuit

    SciTech Connect (OSTI)

    Deindl, Michael; Ruedinger, Jeffrey Joseph; Zoellin, Christian G.

    2015-10-27

    Illustrative embodiments include a method, system, and computer program product for accelerating functional verification in simulation testing of an integrated circuit (IC). Using a processor and a memory, a serial operation is replaced with a direct register access operation, wherein the serial operation is configured to perform bit shifting operation using a register in a simulation of the IC. The serial operation is blocked from manipulating the register in the simulation of the IC. Using the register in the simulation of the IC, the direct register access operation is performed in place of the serial operation.

  15. Accelerating functional verification of an integrated circuit

    DOE Patents [OSTI]

    Deindl, Michael; Ruedinger, Jeffrey Joseph; Zoellin, Christian G

    2015-11-05

    Illustrative embodiments include a method, system, and computer program product for accelerating functional verification in simulation testing of an integrated circuit (IC). Using a processor and a memory, a serial operation is replaced with a direct register access operation, wherein the serial operation is configured to perform bit shifting operation using a register in a simulation of the IC. The serial operation is blocked from manipulating the register in the simulation of the IC. Using the register in the simulation of the IC, the direct register access operation is performed in place of the serial operation.

  16. High Speed SPM of Functional Materials

    SciTech Connect (OSTI)

    Huey, Bryan D.

    2015-08-14

    The development and optimization of applications comprising functional materials necessitates a thorough understanding of their static and dynamic properties and performance at the nanoscale. Leveraging High Speed SPM and concepts enabled by it, efficient measurements and maps with nanoscale and nanosecond temporal resolution are uniquely feasible. This includes recent enhancements for topographic, conductivity, ferroelectric, and piezoelectric properties as originally proposed, as well as newly developed methods or improvements to AFM-based mechanical, friction, thermal, and photoconductivity measurements. The results of this work reveal fundamental mechanisms of operation, and suggest new approaches for improving the ultimate speed and/or efficiency, of data storage systems, magnetic-electric sensors, and solar cells.

  17. Gen IV Materials Handbook Functionalities and Operation

    SciTech Connect (OSTI)

    Ren, Weiju

    2009-12-01

    This document is prepared for navigation and operation of the Gen IV Materials Handbook, with architecture description and new user access initiation instructions. Development rationale and history of the Handbook is summarized. The major development aspects, architecture, and design principles of the Handbook are briefly introduced to provide an overview of its past evolution and future prospects. Detailed instructions are given with examples for navigating the constructed Handbook components and using the main functionalities. Procedures are provided in a step-by-step fashion for Data Upload Managers to upload reports and data files, as well as for new users to initiate Handbook access.

  18. Criticality Safety Functional Area Qualification Standard

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    DOE-STD-1173-2009 April 2009 DOE STANDARD CRITICALITY SAFETY FUNCTIONAL AREA QUALIFICATION STANDARD DOE Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. DOE-STD-1173-2009 ii This document is available on the Department of Energy Technical Standards Program Web Page at http://www.hss.energy.gov/nuclearsafety/techstds/ DOE-STD-1173-2009 iii APPROVAL The Federal

  19. Functional design criteria for standard hydrogen monitoring system portable platform

    SciTech Connect (OSTI)

    Schneider, T.C.

    1997-01-17

    Functional design description for a Standard-E cabinet arrangement Standard Hydrogen Monitoring System Portable Platform.

  20. US Nuclear Regulatory Commission functional organization charts, March 15, 1993

    SciTech Connect (OSTI)

    Not Available

    1993-03-01

    Functional organization charts for the US Nuclear Regulatory Commission offices, divisions, and branches are presented.

  1. U. S. Nuclear Regulatory Commission functional organization charts

    SciTech Connect (OSTI)

    Not Available

    1989-07-01

    Functional organization charts for the US Nuclear Regulatory Commission offices, divisions and branches are presented.

  2. U. S. Nuclear Regulatory Commission functional organization charts

    SciTech Connect (OSTI)

    Not Available

    1982-02-01

    Functional organization charts for the NRC Commission Offices, Divisions, Staffs and Branches are presented.

  3. An Integrated Tool for Functional Requirements Analysis, Function Allocation and Task Analysis

    SciTech Connect (OSTI)

    Hugo, Jacques

    2015-03-02

    The software application is called “HFE-Trace”. This is an integrated method and tool for the management of Human Factors Engineering analyses and related data. Its primary purpose is to support the coherent and consistent application of the nuclear industry’s best practices for human factors engineering work. The software is a custom Microsoft® Access® application. The application is used (in conjunction with other tools such as spreadsheets, checklists and normal documents where necessary) to collect data on the design of a new nuclear power plant from subject matter experts and other sources. This information is then used to identify potential system and functional breakdowns of the intended power plant design. This information is expanded by developing extensive descriptions of all functions, as well as system performance parameters, operating limits and constraints, and operational conditions. Once these have been verified, the human factors elements are added to each function, including intended operator role, function allocation considerations, prohibited actions, primary task categories, and primary work station. In addition, the application includes a computational method to assess a number of factors such as system and process complexity, workload, environmental conditions, procedures, regulations, etc.) that may shape operator performance. This is a unique methodology based upon principles described in NUREG/CR-3331 (“A methodology for allocating nuclear power plant control functions to human or automatic control”) and it results in a semi-quantified allocation of functions to three or more levels of automation for a conceptual automation system. The aggregate of all this information is then linked to the Task Analysis section of the application where the existing information on all operator functions is transformed into task information and ultimately into design requirements for Human-System Interfaces and Control Rooms. This final step includes

  4. An Integrated Tool for Functional Requirements Analysis, Function Allocation and Task Analysis

    Energy Science and Technology Software Center (OSTI)

    2015-03-02

    The software application is called “HFE-Trace”. This is an integrated method and tool for the management of Human Factors Engineering analyses and related data. Its primary purpose is to support the coherent and consistent application of the nuclear industry’s best practices for human factors engineering work. The software is a custom Microsoft® Access® application. The application is used (in conjunction with other tools such as spreadsheets, checklists and normal documents where necessary) to collect datamore » on the design of a new nuclear power plant from subject matter experts and other sources. This information is then used to identify potential system and functional breakdowns of the intended power plant design. This information is expanded by developing extensive descriptions of all functions, as well as system performance parameters, operating limits and constraints, and operational conditions. Once these have been verified, the human factors elements are added to each function, including intended operator role, function allocation considerations, prohibited actions, primary task categories, and primary work station. In addition, the application includes a computational method to assess a number of factors such as system and process complexity, workload, environmental conditions, procedures, regulations, etc.) that may shape operator performance. This is a unique methodology based upon principles described in NUREG/CR-3331 (“A methodology for allocating nuclear power plant control functions to human or automatic control”) and it results in a semi-quantified allocation of functions to three or more levels of automation for a conceptual automation system. The aggregate of all this information is then linked to the Task Analysis section of the application where the existing information on all operator functions is transformed into task information and ultimately into design requirements for Human-System Interfaces and Control Rooms. This final step

  5. Inherent interface defects in thermal (211)Si/SiO{sub 2}:{sup 29}Si hyperfine interaction

    SciTech Connect (OSTI)

    Iacovo, Serena E-mail: andre.stesmans@fys.kuleuven.be; Stesmans, Andre E-mail: andre.stesmans@fys.kuleuven.be

    2014-10-21

    Low temperature electron spin resonance (ESR) studies were carried out on ‘higher index’ (211)Si/SiO{sub 2} interfaces thermally grown in the temperature range T{sub ox} = 400–1066°C. The data reveal the presence of two species of a P{sub b}-type interface defect, exhibiting a significant difference in defect density. On the basis of the pertinent ESR parameters and interface symmetry, the basic defect is typified as P{sub b0}{sup (211)}, close to the Pb0 center observed in standard (100)Si/SiO{sub 2}. The dominant type is found to pertain to defected Si atoms at (111)Si-face terraces with the dangling bond along the [111] direction at ∼19.5°C with the interface normal, these sites thus apparently predominantly accounting for interface mismatch adaptation. The total of the P{sub b}-type defect appearance clearly reflects the higher-index nature of the interface. It is found that T{sub ox} = 750°C is required to minimize the P{sub b0}{sup (211)} defect density through relaxation of the oxide (interface). Q-band ESR saturation spectroscopy reveals an anisotropic {sup 29}Si (nuclear spin I=1/2) hyperfine (hf) doublet associated with the central P{sub b0}{sup (211)} Zeeman signal, with hf parameters closest to those of the similar hf structure of the P{sub b0}{sup (110)} defect in thermal (110)Si/SiO{sub 2}, adducing independent support to the P{sub b0}{sup (211)} typification.

  6. Editorial: Functional nanomaterials for energy applications

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Devan, Rupesh S.; Ma, Yuan -Ron; Kim, Jin -Hyeok; Bhattacharya, Raghu N.; Ghosh, Kartik C.

    2015-02-16

    In order to leap forward from the energy crisis issues and improve lifestyle, we all are looking positively toward nanomaterials or nanostructures. Thus, the exploration of new features of both typical and novel materials at the nanoscale level is playing important role in the development of innovative and improved energy technologies that have the capability of conserve/convert energy at large extend. By tailoring the surface morphology of materials in its nanoforms, the functional properties can be significantly adapted and specifically combined to produce highly potent multifunctional materials for conversion, storage, and consumption of energy in various forms. The papers selectedmore » for this special issue represent a good panel for addressing various energy applications including solar cell, fuel cells, nanofluid twisters, and gas sensors. Of course, the selected topic and the papers are not an exhaustive representation of the utilization of functional nanomaterials for energy applications. Nevertheless, they represent the rich and many-facet knowledge, which we have the pleasure of sharing with the readers.« less

  7. Functional relationship-based alarm processing system

    DOE Patents [OSTI]

    Corsberg, D.R.

    1988-04-22

    A functional relationship-based alarm processing system and method analyzes each alarm as it is activated and determines its relative importance with other currently activated alarms and signals in accordance with the functional relationships that the newly activated alarm has with other currently activated alarms. Once the initial level of importance of the alarm has been determined, that alarm is again evaluated if another related alarm is activated or deactivated. Thus, each alarm's importance is continuously updated as the state of the process changes during a scenario. Four hierarchical relationships are defined by this alarm filtering methodology: (1) level precursor (usually occurs when there are two alarm settings on the same parameter); (2) direct precursor (based on causal factors between two alarms); (3) required action (system response or action expected within a specified time following activation of an alarm or combination of alarms and process signals); and (4) blocking condition (alarms that are normally expected and are not considered important). The alarm processing system and method is sensitive to the dynamic nature of the process being monitored and is capable of changing the relative importance of each alarm as necessary. 12 figs.

  8. Editorial: Functional nanomaterials for energy applications

    SciTech Connect (OSTI)

    Devan, Rupesh S.; Ma, Yuan -Ron; Kim, Jin -Hyeok; Bhattacharya, Raghu N.; Ghosh, Kartik C.

    2015-02-16

    In order to leap forward from the energy crisis issues and improve lifestyle, we all are looking positively toward nanomaterials or nanostructures. Thus, the exploration of new features of both typical and novel materials at the nanoscale level is playing important role in the development of innovative and improved energy technologies that have the capability of conserve/convert energy at large extend. By tailoring the surface morphology of materials in its nanoforms, the functional properties can be significantly adapted and specifically combined to produce highly potent multifunctional materials for conversion, storage, and consumption of energy in various forms. The papers selected for this special issue represent a good panel for addressing various energy applications including solar cell, fuel cells, nanofluid twisters, and gas sensors. Of course, the selected topic and the papers are not an exhaustive representation of the utilization of functional nanomaterials for energy applications. Nevertheless, they represent the rich and many-facet knowledge, which we have the pleasure of sharing with the readers.

  9. Building a Universal Nuclear Energy Density Functional

    SciTech Connect (OSTI)

    Carlson, Joe A.; Furnstahl, Dick; Horoi, Mihai; Lust, Rusty; Nazaewicc, Witek; Ng, Esmond; Thompson, Ian; Vary, James

    2012-12-30

    During the period of Dec. 1 2006 – Jun. 30, 2012, the UNEDF collaboration carried out a comprehensive study of all nuclei, based on the most accurate knowledge of the strong nuclear interaction, the most reliable theoretical approaches, the most advanced algorithms, and extensive computational resources, with a view towards scaling to the petaflop platforms and beyond. The long-term vision initiated with UNEDF is to arrive at a comprehensive, quantitative, and unified description of nuclei and their reactions, grounded in the fundamental interactions between the constituent nucleons. We seek to replace current phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that delivers maximum predictive power with well-quantified uncertainties. Specifically, the mission of this project has been three-fold:  First, to find an optimal energy density functional (EDF) using all our knowledge of the nucleonic Hamiltonian and basic nuclear properties;  Second, to apply the EDF theory and its extensions to validate the functional using all the available relevant nuclear structure and reaction data;  Third, to apply the validated theory to properties of interest that cannot be measured, in particular the properties needed for reaction theory.

  10. Joining of Tungsten Armor Using Functional Gradients

    SciTech Connect (OSTI)

    John Scott O'Dell

    2006-12-31

    The joining of low thermal expansion armor materials such as tungsten to high thermal expansion heat sink materials has been a major problem in plasma facing component (PFC) development. Conventional planar bonding techniques have been unable to withstand the high thermal induced stresses resulting from fabrication and high heat flux testing. During this investigation, innovative functional gradient joints produced using vacuum plasma spray forming techniques have been developed for joining tungsten armor to copper alloy heat sinks. A model was developed to select the optimum gradient architecture. Based on the modeling effort, a 2mm copper rich gradient was selected. Vacuum plasma pray parameters and procedures were then developed to produce the functional gradient joint. Using these techniques, dual cooling channel, medium scale mockups (32mm wide x 400mm length) were produced with vacuum plasma spray formed tungsten armor. The thickness of the tungsten armor was up to 5mm thick. No evidence of debonding at the interface between the heat sink and the vacuum plasma sprayed material was observed.

  11. Periodic subsystem density-functional theory

    SciTech Connect (OSTI)

    Genova, Alessandro; Pavanello, Michele; Ceresoli, Davide

    2014-11-07

    By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) has recently emerged as a powerful tool for reducing the computational scaling of Kohn–Sham DFT. To date, however, FDE has been employed to molecular systems only. Periodic systems, such as metals, semiconductors, and other crystalline solids have been outside the applicability of FDE, mostly because of the lack of a periodic FDE implementation. To fill this gap, in this work we aim at extending FDE to treat subsystems of molecular and periodic character. This goal is achieved by a dual approach. On one side, the development of a theoretical framework for periodic subsystem DFT. On the other, the realization of the method into a parallel computer code. We find that periodic FDE is capable of reproducing total electron densities and (to a lesser extent) also interaction energies of molecular systems weakly interacting with metallic surfaces. In the pilot calculations considered, we find that FDE fails in those cases where there is appreciable density overlap between the subsystems. Conversely, we find FDE to be in semiquantitative agreement with Kohn–Sham DFT when the inter-subsystem density overlap is low. We also conclude that to make FDE a suitable method for describing molecular adsorption at surfaces, kinetic energy density functionals that go beyond the GGA level must be employed.

  12. Surface modification of polyethylene by functionalized plasma

    SciTech Connect (OSTI)

    Yuan, S.; Marchant, R.E.

    1993-12-31

    The surface of low density polyethylene(PE) has been modified by functionalized plasma-polymerized N-vinyl-2-pyrrolidone (PPNVP) and allyl alcohol(PPAA) thin films, PPNVP and PPAA(approx. 100 nm). The surface structure and functional groups of modified surfaces were characterized by water contact angle, ATR/FTIR and ESCA techniques. Plasma polymer modified PE surfaces exhibited significant water contact angle hysteresis and a much lower value of advancing water contact angle than that of unmodified polyethylene. Reduction of PPNVP and PPAA modified surfaces by sodium borohydride coverted into hydroxyl groups. The determined concentrations of hydroxyl groups on the reduced PPNVP and PPAA modified surfaces by ESCA after gas-phase derivatization with trifluoroacetic anhydride (TFAA) were about 25% and 30% of total oxygen content, respectively. Finally, the amine containing molecules such as amine-terminated polyethylene oxide (PEO) and 3-aminopropyltriethoxysilane (APTS) were coupled to the hydroxylated surfaces. These novel modified PE surfaces are suitable for immobilization of biomolecules.

  13. Functionalized inorganic membranes for gas separation

    DOE Patents [OSTI]

    Ku, Anthony Yu-Chung; Ruud, James Anthony; Molaison, Jennifer Lynn; Schick, Louis Andrew ,; Ramaswamy, Vidya

    2008-07-08

    A porous membrane for separation of carbon dioxide from a fluid stream at a temperature higher than about 200.degree. C. with selectivity higher than Knudsen diffusion selectivity. The porous membrane comprises a porous support layer comprising alumina, silica, zirconia or stabilized zirconia; a porous separation layer comprising alumina, silica, zirconia or stabilized zirconia, and a functional layer comprising a ceramic oxide contactable with the fluid stream to preferentially transport carbon dioxide. In particular, the functional layer may be MgO, CaO, SrO, BaO, La.sub.2O.sub.3, CeO.sub.2, ATiO.sub.3, AZrO.sub.3, AAl.sub.2O.sub.4, A.sup.1FeO.sub.3, A.sup.1MnO.sub.3, A.sup.1CoO.sub.3, A.sup.1NiO.sub.3, A.sup.2HfO.sub.3, A.sup.3CeO.sub.3, Li.sub.2ZrO.sub.3, Li.sub.2SiO.sub.3, Li.sub.2TiO.sub.3 or a mixture thereof; wherein A is Mg, Ca, Sr or Ba; A.sup.1 is La, Ca, Sr or Ba; A.sup.2 is Ca, Sr or Ba; and A.sup.3 is Sr or Ba.

  14. An Orientation Distribution Function for Trabecular Bone

    SciTech Connect (OSTI)

    Lawrence Livermore National Laboratory

    2004-10-08

    We describe a new method for quantifying the orientation of trabecular bone from three-dimensional images. Trabecular lattices from five human vertebrae were decomposed into individual trabecular elements, and the orientation, mass, and thickness of each element were recorded. Continuous functions that described the total mass (M({var_phi},{theta})) and mean thickness ({tau}({var_phi},{theta})) of all trabeculae as a function of orientation were derived. The results were compared with experimental measurements of the elastic modulus in the three principal anatomic directions. A power law scaling relationship between the anisotropies in mass and elastic modulus was observed; the scaling exponent was 1.41 (R{sup 2} = 0.88). As expected, the preponderance of trabecular mass was oriented along the cranial-caudal direction; on average, there was 3.4 times more mass oriented vertically than horizontally. Moreover, the vertical trabeculae were 30% thicker, on average, than the horizontal trabeculae. The vertical trabecular thickness was inversely related to the connectivity (R{sup 2} = 0.70; p = 0.07), suggesting a possible organization into either few, thick trabeculae or many thin trabeculae. The method, which accounts for the mechanical connectedness of the lattice, provides a rapid way to both visualize and quantify the three-dimensional organization of trabecular bone.

  15. Functional relationship-based alarm processing system

    DOE Patents [OSTI]

    Corsberg, Daniel R.

    1989-01-01

    A functional relationship-based alarm processing system and method analyzes each alarm as it is activated and determines its relative importance with other currently activated alarms and signals in accordance with the functional relationships that the newly activated alarm has with other currently activated alarms. Once the initial level of importance of the alarm has been determined, that alarm is again evaluated if another related alarm is activated or deactivated. Thus, each alarm's importance is continuously updated as the state of the process changes during a scenario. Four hierarchical relationships are defined by this alarm filtering methodology: (1) level precursor (usually occurs when there are two alarm settings on the same parameter); (2) direct precursor (based on causal factors between two alarms); (3) required action (system response or action expected within a specified time following activation of an alarm or combination of alarms and process signals); and (4) blocking condition (alarms that are normally expected and are not considered important). The alarm processing system and method is sensitive to the dynamic nature of the process being monitored and is capable of changing the relative importance of each alarm as necessary.

  16. The Gut Microbiota: Ecology and Function

    SciTech Connect (OSTI)

    Willing, B.P.; Jansson, J.K.

    2010-06-01

    The gastrointestinal (GI) tract is teeming with an extremely abundant and diverse microbial community. The members of this community have coevolved along with their hosts over millennia. Until recently, the gut ecosystem was viewed as black box with little knowledge of who or what was there or their specific functions. Over the past decade, however, this ecosystem has become one of fastest growing research areas of focus in microbial ecology and human and animal physiology. This increased interest is largely in response to studies tying microbes in the gut to important diseases afflicting modern society, including obesity, allergies, inflammatory bowel diseases, and diabetes. Although the importance of a resident community of microorganisms in health was first hypothesized by Pasteur over a century ago (Sears, 2005), the multiplicity of physiological changes induced by commensal bacteria has only recently been recognized (Hooper et al., 2001). The term 'ecological development' was recently coined to support the idea that development of the GI tract is a product of the genetics of the host and the host's interactions with resident microbes (Hooper, 2004). The search for new therapeutic targets and disease biomarkers has escalated the need to understand the identities and functions of the microorganisms inhabiting the gut. Recent studies have revealed new insights into the membership of the gut microbial community, interactions within that community, as well as mechanisms of interaction with the host. This chapter focuses on the microbial ecology of the gut, with an emphasis on information gleaned from recent molecular studies.

  17. Arithmetic functions in torus and tree networks

    DOE Patents [OSTI]

    Bhanot, Gyan; Blumrich, Matthias A.; Chen, Dong; Gara, Alan G.; Giampapa, Mark E.; Heidelberger, Philip; Steinmacher-Burow, Burkhard D.; Vranas, Pavlos M.

    2007-12-25

    Methods and systems for performing arithmetic functions. In accordance with a first aspect of the invention, methods and apparatus are provided, working in conjunction of software algorithms and hardware implementation of class network routing, to achieve a very significant reduction in the time required for global arithmetic operation on the torus. Therefore, it leads to greater scalability of applications running on large parallel machines. The invention involves three steps in improving the efficiency and accuracy of global operations: (1) Ensuring, when necessary, that all the nodes do the global operation on the data in the same order and so obtain a unique answer, independent of roundoff error; (2) Using the topology of the torus to minimize the number of hops and the bidirectional capabilities of the network to reduce the number of time steps in the data transfer operation to an absolute minimum; and (3) Using class function routing to reduce latency in the data transfer. With the method of this invention, every single element is injected into the network only once and it will be stored and forwarded without any further software overhead. In accordance with a second aspect of the invention, methods and systems are provided to efficiently implement global arithmetic operations on a network that supports the global combining operations. The latency of doing such global operations are greatly reduced by using these methods.

  18. ALS Capabilities Reveal Multiple Functions of Ebola Virus

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ALS Capabilities Reveal Multiple Functions of Ebola Virus ALS Capabilities Reveal Multiple Functions of Ebola Virus Print Friday, 13 June 2014 10:25 A central dogma of molecular biology is that a protein's sequence dictates its fold, and the fold dictates its function. Scientists typically expect that a protein has a singular structure (with some conformational variation), and that when an experimental structure is solved, it can used to understand the known biological function(s) of the

  19. Design of the IPIRG-2 simulated seismic forcing function

    SciTech Connect (OSTI)

    Olson, R.; Scott, P.; Wilkowski, G.

    1996-02-01

    A series of pipe system experiments was conducted in IPIRG-2 that used a realistic seismic forcing function. Because the seismic forcing function was more complex than the single-frequency increasing-amplitude sinusoidal forcing function used in the IPIRG-1 pipe system experiments, considerable effort went into designing the function. This report documents the design process for the seismic forcing function used in the IPIRG-2 pipe system experiments.

  20. One-parameter semigroups of analytic functions, fixed points and the Koenigs function

    SciTech Connect (OSTI)

    Goryainov, Victor V; Kudryavtseva, Olga S

    2011-07-31

    Analogues of the Berkson-Porta formula for the infinitesimal generator of a one-parameter semigroup of holomorphic maps of the unit disc into itself are obtained in the case when, along with a Denjoy-Wolff point, there also exist other fixed points. With each one-parameter semigroup a so-called Koenigs function is associated, which is a solution, common for all elements of the one-parameter semigroup, of a certain functional equation (Schroeder's equation in the case of an interior Denjoy-Wolff point and Abel's equation in the case of a boundary Denjoy-Wolff point). A parametric representation for classes of Koenigs functions that takes account of the Denjoy-Wolff point and other fixed points of the maps in the one-parameter semigroup is presented. Bibliography: 19 titles.

  1. Confidential balls minimizing in mean convex functional

    SciTech Connect (OSTI)

    Kaminsky, V.

    1994-12-31

    Let H be a Hilbert space, H{sub 0} {contained_in} H be a subspace in it; {Sigma}i{sigma}-algebra of Borel subsets from H{sub 0}, s = s(x, r) is the bal of radius r with the center at the point x {element_of} H and t = t(x, r) is its boundary, a sphere. Let measure {mu} defined on {Sigma} be finite nonnegative and satisfy the following condition: {mu}(H{sub 0}) = 1. By fixing two nonnegative numbers {mu}{sub 0}, where 0 < {mu}{sub 0} < 1, and R > 0, we indicate from {sigma}-algebra {Sigma} the class S = {l_brace}s,(x, r) {element_of} {Sigma}: {mu}(s) {>=} {mu}{sub o}, r {<=} R{r_brace}. Let {var_phi}(x) be a convex eigen functional on H such that it is bounded on each ball s {element_of} S{sub 0}. It is possible to introduce an averaging functional for each ball s {element_of} S {Phi}(s) = {sub {mu}(s)}{sup 1} {integral}{sub s(x, r)} {var_phi}(y){mu}(dy) = {sub {mu}(s(x, r))}{sup 1} {integral}{sub s({theta}, r)} {var_phi}(x + {xi}){mu}(d{xi}) = F(x, r) and to consider the following extremal problem {Phi}(s) {yields} inf{sub s{epsilon}S}. We can interpret such a formulation of the problem as an extremal problem with confidential condition ({mu}s) {>=} {mu}{sub 0}. It is possible to consider the formulations of problem of such type in order to generalize the classical problems in mathematical programming in which now we find an extremal subset of an extremal element. The following results are obtained: theorems about existence of an extremal ball, necessary condition for a ball to be extremal in problems of such types, sufficient conditions of extremality of the ball by stronger restrictions on functional and measure in the problem.

  2. Progress at the interface of wave-function and density-functional theories

    SciTech Connect (OSTI)

    Gidopoulos, Nikitas I.

    2011-04-15

    The Kohn-Sham (KS) potential of density-functional theory (DFT) emerges as the minimizing effective potential in a variational scheme that does not involve fixing the unknown single-electron density. Using Rayleigh Schroedinger (RS) perturbation theory (PT), we construct ab initio approximations for the energy difference, the minimization of which determines the KS potential directly - thereby bypassing DFT's traditional algorithm to search for the density that minimizes the total energy. From second-order RS PT, we obtain variationally stable energy differences to be minimized, solving the severe problem of variational collapse of orbital-dependent exchange-correlation functionals based on second-order RS PT.

  3. Functional relationship-based alarm processing

    DOE Patents [OSTI]

    Corsberg, D.R.

    1987-04-13

    A functional relationship-based alarm processing system and method analyzes each alarm as it is activated and determines its relative importance with other currently activated alarms and signals in accordance with the relationships that the newly activated alarm has with other currently activated alarms. Once the initial level of importance of the alarm has been determined, that alarm is again evaluated if another related alarm is activated. Thus, each alarm's importance is continuously updated as the state of the process changes during a scenario. Four hierarchical relationships are defined by this alarm filtering methodology: (1) level precursor (usually occurs when there are two alarm settings on the same parameter); (2) direct precursor (based on causal factors between two alarms); (3) required action (system response or action expected within a specified time following activation of an alarm or combination of alarms and process signals); and (4) blocking condition (alarms that are normally expected and are not considered important). 11 figs.

  4. Function analysis for waste information systems

    SciTech Connect (OSTI)

    Sexton, J.L.; Neal, C.T.; Heath, T.C.; Starling, C.D.

    1996-04-01

    This study has a two-fold purpose. It seeks to identify the functional requirements of a waste tracking information system and to find feasible alternatives for meeting those requirements on the Oak Ridge Reservation (ORR) and the Portsmouth (PORTS) and Paducah (PGDP) facilities; identify options that offer potential cost savings to the US government and also show opportunities for improved efficiency and effectiveness in managing waste information; and, finally, to recommend a practical course of action that can be immediately initiated. In addition to identifying relevant requirements, it also identifies any existing requirements that are currently not being completely met. Another aim of this study is to carry out preliminary benchmarking by contacting representative companies about their strategic directions in waste information. The information obtained from representatives of these organizations is contained in an appendix to the document; a full benchmarking effort, however, is beyond the intended scope of this study.

  5. A Library of Basic System Functions

    Energy Science and Technology Software Center (OSTI)

    1995-06-01

    BASELIB is a support library for developing high-level library software. Its design is adaptable to other applications (utility routines, compilers, loaders, large application systems, etc.). BASELIB functions perform commonly-used system and I/O requests available in LTSS operating systems. BASELIB routines are machine dependent; they are closely tied to the machine and operating system for which they were programmed. However, an attempt was made to maintain compatibility and consistency across machines at the BASELIB calling levelmore » to provide a common base for moving large software systems across machines. It allows the programmer to structure higher level software in a machine independent fashion. Miscellaneous routines are included to perform character and string manipulation, number conversion, and output-file name generation.« less

  6. A Library of Basic System Functions

    Energy Science and Technology Software Center (OSTI)

    1995-06-01

    BASELIB is a support library for developing high-level library software. Its design is adaptable to other applications (utility routines, compilers, loaders, large application systems, etc.). BASELIB functions perform commonly-used system and I/O requests available in LTSS operating systems. BASELIB routines are machine-dependent; they are closely tied to the machine and operating system for which they were programmed. However, an attempt was made to maintain compatibility and consistency across machines at the BASELIB calling level tomore » provide a common base for moving large software systems across machines. It allows the programmer to structure higher-level software in a machine- independent fashion. Miscellaneous routines are included to perform character and string manipulation, number conversion, and output-file name generation.« less

  7. Gas Test Loop Functional and Technical Requirements

    SciTech Connect (OSTI)

    Glen R. Longhurst; Soli T. Khericha; James L. Jones

    2004-09-01

    This document defines the technical and functional requirements for a gas test loop (GTL) to be constructed for the purpose of providing a high intensity fast-flux irradiation environment for developers of advanced concept nuclear reactors. This capability is needed to meet fuels and materials testing requirements of the designers of Generation IV (GEN IV) reactors and other programs within the purview of the Advanced Fuel Cycle Initiative (AFCI). Space nuclear power development programs may also benefit by the services the GTL will offer. The overall GTL technical objective is to provide developers with the means for investigating and qualifying fuels and materials needed for advanced reactor concepts. The testing environment includes a fast-flux neutron spectrum of sufficient intensity to perform accelerated irradiation testing. Appropriate irradiation temperature, gaseous environment, test volume, diagnostics, and access and handling features are also needed. This document serves to identify those requirements as well as generic requirements applicable to any system of this kind.

  8. Systematics of strength function sum rules

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Johnson, Calvin W.

    2015-08-28

    Sum rules provide useful insights into transition strength functions and are often expressed as expectation values of an operator. In this letter I demonstrate that non-energy-weighted transition sum rules have strong secular dependences on the energy of the initial state. Such non-trivial systematics have consequences: the simplification suggested by the generalized Brink–Axel hypothesis, for example, does not hold for most cases, though it weakly holds in at least some cases for electric dipole transitions. Furthermore, I show the systematics can be understood through spectral distribution theory, calculated via traces of operators and of products of operators. Seen through this lens,more » violation of the generalized Brink–Axel hypothesis is unsurprising: one expectssum rules to evolve with excitation energy. Moreover, to lowest order the slope of the secular evolution can be traced to a component of the Hamiltonian being positive (repulsive) or negative (attractive).« less

  9. Chiral anomalies and zeta-function regularization

    SciTech Connect (OSTI)

    Reuter, M.

    1985-03-15

    The zeta-function method for regularizing determinants is used to calculate the chiral anomalies of several field-theory models. In SU(N) gauge theories without ..gamma../sub 5/ couplings, the results of perturbation theory are obtained in an unambiguous manner for the full gauge theory as well as for the corresponding external-field problem. If axial-vector couplings are present, different anomalies occur for the two cases. The result for the full gauge theory is again uniquely determined; for its nongauge analog, however, ambiguities can arise. The connection between the basic path integral and the operator used to construct the heat kernel is investigated and the significance of its Hermiticity and gauge covariance are analyzed. The implications of the Wess-Zumino conditions are considered.

  10. Synthesis of functional materials in combustion reactions

    SciTech Connect (OSTI)

    Zhuravlev, V. D. Bamburov, V. G.; Ermakova, L. V.; Lobachevskaya, N. I.

    2015-12-15

    The conditions for obtaining oxide compounds in combustion reactions of nitrates of metals with organic chelating–reducing agents such as amino acids, urea, and polyvinyl alcohol are reviewed. Changing the nature of internal fuels and the reducing agent-to-oxidizing agent ratio makes possible to modify the thermal regime of the process, fractal dimensionality, morphology, and dispersion of synthesized functional materials. This method can be used to synthesize simple and complex oxides, composites, and metal powders, as well as ceramics and coatings. The possibilities of synthesis in combustion reactions are illustrated by examples of αand γ-Al{sub 2}O{sub 3}, YSZ composites, uranium oxides, nickel powder, NiO and NiO: YSZ composite, TiO{sub 2}, and manganites, cobaltites, and aluminates of rare earth elements.

  11. Communication: Embedded fragment stochastic density functional theory

    SciTech Connect (OSTI)

    Neuhauser, Daniel; Baer, Roi; Rabani, Eran

    2014-07-28

    We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the scaling and the simplicity of the stochastic DFT but cures the slow convergence that occurs when weakly coupled subsystems are treated. It overcomes the spurious charge fluctuations that impair the applications of the original stochastic DFT approach. We demonstrate the new approach on a fullerene dimer and on clusters of water molecules and show that the density of states and the total energy can be accurately described with a relatively small number of stochastic orbitals.

  12. Hazard function theory for nonstationary natural hazards

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Read, Laura K.; Vogel, Richard M.

    2016-04-11

    Impact from natural hazards is a shared global problem that causes tremendous loss of life and property, economic cost, and damage to the environment. Increasingly, many natural processes show evidence of nonstationary behavior including wind speeds, landslides, wildfires, precipitation, streamflow, sea levels, and earthquakes. Traditional probabilistic analysis of natural hazards based on peaks over threshold (POT) generally assumes stationarity in the magnitudes and arrivals of events, i.e., that the probability of exceedance of some critical event is constant through time. Given increasing evidence of trends in natural hazards, new methods are needed to characterize their probabilistic behavior. The well-developed field ofmore » hazard function analysis (HFA) is ideally suited to this problem because its primary goal is to describe changes in the exceedance probability of an event over time. HFA is widely used in medicine, manufacturing, actuarial statistics, reliability engineering, economics, and elsewhere. HFA provides a rich theory to relate the natural hazard event series (X) with its failure time series (T), enabling computation of corresponding average return periods, risk, and reliabilities associated with nonstationary event series. This work investigates the suitability of HFA to characterize nonstationary natural hazards whose POT magnitudes are assumed to follow the widely applied generalized Pareto model. We derive the hazard function for this case and demonstrate how metrics such as reliability and average return period are impacted by nonstationarity and discuss the implications for planning and design. As a result, our theoretical analysis linking hazard random variable X with corresponding failure time series T should have application to a wide class of natural hazards with opportunities for future extensions.« less

  13. Complementary influence functions for predicting subsidence caused by mining

    SciTech Connect (OSTI)

    Sutherland, H.J.; Munson, D.E.

    1982-01-01

    Surface subsidence caused by underground mining is described through complementary influence functions. The complementary functions developed here differ from the simple functions previously used in that the surface displacement is the result of the combined contributions of the mined and unmined zones. This eliminates computational difficulties experienced with the simple functions in determining the deflections above the rib side and in the eventual application of influence functions to complex room-and-pillar configurations. Although the analysis framework presented is intended for predicting subsidence over complex mine configurations, use of the complementary functions is illustrated adequately by application to a longwall panel of the Old Ben No. 24 coal mine.

  14. ALS Capabilities Reveal Multiple Functions of Ebola Virus

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Functions of Ebola Virus Print Friday, 13 June 2014 10:25 A central dogma of molecular biology is that a protein's sequence dictates its fold, and the fold dictates its function....

  15. Tank waste remediation system functions and requirements document

    SciTech Connect (OSTI)

    Carpenter, K.E

    1996-10-03

    This is the Tank Waste Remediation System (TWRS) Functions and Requirements Document derived from the TWRS Technical Baseline. The document consists of several text sections that provide the purpose, scope, background information, and an explanation of how this document assists the application of Systems Engineering to the TWRS. The primary functions identified in the TWRS Functions and Requirements Document are identified in Figure 4.1 (Section 4.0) Currently, this document is part of the overall effort to develop the TWRS Functional Requirements Baseline, and contains the functions and requirements needed to properly define the top three TWRS function levels. TWRS Technical Baseline information (RDD-100 database) included in the appendices of the attached document contain the TWRS functions, requirements, and architecture necessary to define the TWRS Functional Requirements Baseline. Document organization and user directions are provided in the introductory text. This document will continue to be modified during the TWRS life-cycle.

  16. When Function Follows Form: Plastic Solar Cells | ANSER Center |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Argonne-Northwestern National Laboratory When Function Follows Form: Plastic Solar Cells Home > Research > ANSER Research Highlights > When Function Follows Form: Plastic Solar Cells

  17. Green Functions for the Radial Electric Component of the Monopole...

    Office of Scientific and Technical Information (OSTI)

    Green Functions for the Radial Electric Component of the Monopole Wake Field in a Round Resistive Chamber Citation Details In-Document Search Title: Green Functions for the Radial...

  18. On strongly GA-convex functions and stochastic processes

    SciTech Connect (OSTI)

    Bekar, Nurgl Okur; Akdemir, Hande Gnay; ??can, ?mdat

    2014-08-20

    In this study, we introduce strongly GA-convex functions and stochastic processes. We provide related well-known Kuhn type results and Hermite-Hadamard type inequality for strongly GA-convex functions and stochastic processes.

  19. Functional performance requirements for seismic network upgrade

    SciTech Connect (OSTI)

    Lee, R.C.

    1991-08-18

    The SRL seismic network, established in 1976, was developed to monitor site and regional seismic activity that may have any potential to impact the safety or reduce containment capability of existing and planned structures and systems at the SRS, report seismic activity that may be relevant to emergency preparedness, including rapid assessments of earthquake location and magnitude, and estimates of potential on-site and off-site damage to facilities and lifelines for mitigation measures. All of these tasks require SRL seismologists to provide rapid analysis of large amounts of seismic data. The current seismic network upgrade, the subject of this Functional Performance Requirements Document, is necessary to improve system reliability and resolution. The upgrade provides equipment for the analysis of the network seismic data and replacement of old out-dated equipment. The digital network upgrade is configured for field station and laboratory digital processing systems. The upgrade consists of the purchase and installation of seismic sensors,, data telemetry digital upgrades, a dedicated Seismic Data Processing (SDP) system (already in procurement stage), and a Seismic Signal Analysis (SSA) system. The field stations and telephone telemetry upgrades include equipment necessary for three remote station upgrades including seismic amplifiers, voltage controlled oscillators, pulse calibrators, weather protection (including lightning protection) systems, seismometers, seismic amplifiers, and miscellaneous other parts. The central receiving and recording station upgrades will include discriminators, helicopter amplifier, omega timing system, strong motion instruments, wide-band velocity sensors, and other miscellaneous equipment.

  20. Development of pair distribution function analysis

    SciTech Connect (OSTI)

    Vondreele, R.; Billinge, S.; Kwei, G.; Lawson, A.

    1996-09-01

    This is the final report of a 3-year LDRD project at LANL. It has become more and more evident that structural coherence in the CuO{sub 2} planes of high-{Tc} superconducting materials over some intermediate length scale (nm range) is important to superconductivity. In recent years, the pair distribution function (PDF) analysis of powder diffraction data has been developed for extracting structural information on these length scales. This project sought to expand and develop this technique, use it to analyze neutron powder diffraction data, and apply it to problems. In particular, interest is in the area of high-{Tc} superconductors, although we planned to extend the study to the closely related perovskite ferroelectric materials andother materials where the local structure affects the properties where detailed knowledge of the local and intermediate range structure is important. In addition, we planned to carry out single crystal experiments to look for diffuse scattering. This information augments the information from the PDF.

  1. Orbital-optimized density cumulant functional theory

    SciTech Connect (OSTI)

    Sokolov, Alexander Yu. Schaefer, Henry F.

    2013-11-28

    In density cumulant functional theory (DCFT) the electronic energy is evaluated from the one-particle density matrix and two-particle density cumulant, circumventing the computation of the wavefunction. To achieve this, the one-particle density matrix is decomposed exactly into the mean-field (idempotent) and correlation components. While the latter can be entirely derived from the density cumulant, the former must be obtained by choosing a specific set of orbitals. In the original DCFT formulation [W. Kutzelnigg, J. Chem. Phys. 125, 171101 (2006)] the orbitals were determined by diagonalizing the effective Fock operator, which introduces partial orbital relaxation. Here we present a new orbital-optimized formulation of DCFT where the energy is variationally minimized with respect to orbital rotations. This introduces important energy contributions and significantly improves the description of the dynamic correlation. In addition, it greatly simplifies the computation of analytic gradients, for which expressions are also presented. We offer a perturbative analysis of the new orbital stationarity conditions and benchmark their performance for a variety of chemical systems.

  2. Functional relationship-based alarm processing

    DOE Patents [OSTI]

    Corsberg, Daniel R.

    1988-01-01

    A functional relationship-based alarm processing system and method analyzes each alarm as it is activated and determines its relative importance with other currently activated alarms and signals in accordance with the relationships that the newly activated alarm has with other currently activated alarms. Once the initial level of importance of the alarm has been determined, that alarm is again evaluated if another related alarm is activated. Thus, each alarm's importance is continuously oupdated as the state of the process changes during a scenario. Four hierarchical relationships are defined by this alarm filtering methodology: (1) level precursor (usually occurs when there are two alarm settings on the same parameter); (2) direct precursor (based on caussal factors between two alarms); (3) required action (system response or action) expected within a specified time following activation of an alarm or combination of alarms and process signals); and (4) blocking condition (alarms that are normally expected and are not considered important). The alarm processing system and method is sensitive to the dynamic nature of the process being monitored and is capable of changing the relative importance of each alarm as necessary.

  3. Introduction of Functionality, Selection of Topology, and Enhancement...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Introduction of Functionality, Selection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal-Organic Framework-177

  4. Interpenetration control in metal-organic frameworks for functional...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Interpenetration control in metal-organic frameworks for functional applications Previous ... gas uptake capabilities and catalysis) caused by framework interpenetration. ...

  5. Biosensors Based on Functionalized Carbon Nanotubes, Nanoparticles, and Nanowires

    SciTech Connect (OSTI)

    Wang, Jun; Liu, Guodong; Wu, Hong; Lin, Yuehe

    2009-01-01

    In this book chapter, we will review recent progress in functionalization of nanotubes, nanoparticles, and nanowires for sensing applications.

  6. Quark-gluon correlation functions relevant to single transverse...

    Office of Scientific and Technical Information (OSTI)

    FUNCTIONS; GLUONS; NUCLEONS; QUARK MODEL; QUARK-GLUON INTERACTIONS; QUARKS; SPIN ANGULAR MOMENTUM; BARYONS; BOSONS; COMPOSITE MODELS; ELEMENTARY PARTICLES; FERMIONS; ...

  7. Methods for integrating a functional component into a microfluidic device

    DOE Patents [OSTI]

    Simmons, Blake; Domeier, Linda; Woo, Noble; Shepodd, Timothy; Renzi, Ronald F.

    2014-08-19

    Injection molding is used to form microfluidic devices with integrated functional components. One or more functional components are placed in a mold cavity, which is then closed. Molten thermoplastic resin is injected into the mold and then cooled, thereby forming a solid substrate including the functional component(s). The solid substrate including the functional component(s) is then bonded to a second substrate, which may include microchannels or other features.

  8. ALS Capabilities Reveal Multiple Functions of Ebola Virus

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ALS Capabilities Reveal Multiple Functions of Ebola Virus Print A central dogma of molecular biology is that a protein's sequence dictates its fold, and the fold dictates its function. Scientists typically expect that a protein has a singular structure (with some conformational variation), and that when an experimental structure is solved, it can used to understand the known biological function(s) of the protein. Recently, researchers used beamline capabilities at the ALS to demonstrate that a

  9. Microbes as engines of ecosystem function: When does community...

    Office of Scientific and Technical Information (OSTI)

    ... Language: English Subject: microbial diversity; functional gene; statistical modeling; microbial ecology; ecosystem processes; respiration; nitrification; denitrification Word ...

  10. US Nuclear Regulatory Commission functional organization charts. Revision 6

    SciTech Connect (OSTI)

    Not Available

    1984-01-01

    The report consists entirely of organizational charts of the US NRC, with functional notes for each office. (GHT)

  11. US Nuclear Regulatory Commission functional organization charts, January 31, 1992

    SciTech Connect (OSTI)

    Not Available

    1992-02-01

    Functional organization charts for the US Nuclear Regulatory Commission offices, divisions, and branches are presented in this document.

  12. GeoChips for Analysis of Microbial Functional Communities (Book...

    Office of Scientific and Technical Information (OSTI)

    Methods covered include preparation of DNA (whole community genome amplification and ... Subject: 59; AMPLIFICATION; BUFFERS; COMMUNITIES; DNA; ENZYMES; FUNCTIONALS; GENES; ...

  13. Pore Surface Engineering with Controlled Loadings of Functional...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks...

  14. Current Delegations by Functional Area - DOE Directives, Delegations...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Current By Functional Area By Position Designations Assignments Rescinded by Website ... Development Finance Intelligence and Counterintelligence Personal Property Safety Security

  15. Internal compiler error for function pointer with identically named

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    arguments Internal compiler error for function pointer with identically named arguments Internal compiler error for function pointer with identically named arguments June 9, 2015 by Scott French, NERSC USG Status: Bug 21435 reported to PGI For pgcc versions after 12.x (up through 12.9 is fine, but 13.x and 14.x are not), you may observe an internal compiler error associated with function pointer prototypes when named arguments are used. Specifically, if a function pointer type is defined

  16. Functional Ecological Gene Networks to Reveal the Changes Among...

    Office of Scientific and Technical Information (OSTI)

    indicating the potential importance of network interactions in ecosystem functioning. ... aremore fundamentally important for research in microbial ecology, systems ...

  17. Functional Mock-up Unit Export of EnergyPlus

    Energy Science and Technology Software Center (OSTI)

    2012-08-01

    The Functional Mock-up Unit Export of EnergyPlus is a software package that allows EnergyPlus to be exported as a Functional Mock-up Unit. This allows other software tools to run EnergyPlus as part of a larger simulation. To do so, the outside software needs to implement the Functional Mock-up interface standard (http://www.modelisar.com/), and be able to import Functional Mock-up Units for co-simulation.

  18. ALS Capabilities Reveal Multiple Functions of Ebola Virus

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ALS Capabilities Reveal Multiple Functions of Ebola Virus Print A central dogma of molecular biology is that a protein's sequence dictates its fold, and the fold dictates its function. Scientists typically expect that a protein has a singular structure (with some conformational variation), and that when an experimental structure is solved, it can used to understand the known biological function(s) of the protein. Recently, researchers used beamline capabilities at the ALS to demonstrate that a

  19. ALS Capabilities Reveal Multiple Functions of Ebola Virus

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ALS Capabilities Reveal Multiple Functions of Ebola Virus Print A central dogma of molecular biology is that a protein's sequence dictates its fold, and the fold dictates its function. Scientists typically expect that a protein has a singular structure (with some conformational variation), and that when an experimental structure is solved, it can used to understand the known biological function(s) of the protein. Recently, researchers used beamline capabilities at the ALS to demonstrate that a

  20. ALS Capabilities Reveal Multiple Functions of Ebola Virus

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ALS Capabilities Reveal Multiple Functions of Ebola Virus Print A central dogma of molecular biology is that a protein's sequence dictates its fold, and the fold dictates its function. Scientists typically expect that a protein has a singular structure (with some conformational variation), and that when an experimental structure is solved, it can used to understand the known biological function(s) of the protein. Recently, researchers used beamline capabilities at the ALS to demonstrate that a

  1. Spectral function of a fermion coupled with a massive vector...

    Office of Scientific and Technical Information (OSTI)

    Language: English Subject: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; APPROXIMATIONS; ... METHODS; ELECTRODYNAMICS; ENERGY-LEVEL TRANSITIONS; FIELD THEORIES; FUNCTIONS; ...

  2. Magnetic spectroscopy and microscopy of functional materials

    SciTech Connect (OSTI)

    Jenkins, C.A.

    2011-01-28

    Heusler intermetallics Mn{sub 2}Y Ga and X{sub 2}MnGa (X; Y =Fe, Co, Ni) undergo tetragonal magnetostructural transitions that can result in half metallicity, magnetic shape memory, or the magnetocaloric effect. Understanding the magnetism and magnetic behavior in functional materials is often the most direct route to being able to optimize current materials for todays applications and to design novel ones for tomorrow. Synchrotron soft x-ray magnetic spectromicroscopy techniques are well suited to explore the the competing effects from the magnetization and the lattice parameters in these materials as they provide detailed element-, valence-, and site-specifc information on the coupling of crystallographic ordering and electronic structure as well as external parameters like temperature and pressure on the bonding and exchange. Fundamental work preparing the model systems of spintronic, multiferroic, and energy-related compositions is presented for context. The methodology of synchrotron spectroscopy is presented and applied to not only magnetic characterization but also of developing a systematic screening method for future examples of materials exhibiting any of the above effects. The chapter progression is as follows: an introduction to the concepts and materials under consideration (Chapter 1); an overview of sample preparation techniques and results, and the kinds of characterization methods employed (Chapter 2); spectro- and microscopic explorations of X{sub 2}MnGa/Ge (Chapter 3); spectroscopic investigations of the composition series Mn{sub 2}Y Ga to the logical Mn{sub 3}Ga endpoint (Chapter 4); and a summary and overview of upcoming work (Chapter 5). Appendices include the results of a Think Tank for the Graduate School of Excellence MAINZ (Appendix A) and details of an imaging project now in progress on magnetic reversal and domain wall observation in the classical Heusler material Co{sub 2}FeSi (Appendix B).

  3. Integral equation for gauge invariant quark Green's function

    SciTech Connect (OSTI)

    Sazdjian, H.

    2008-08-29

    We consider gauge invariant quark two-point Green's functions in which the gluonic phase factor follows a skew-polygonal line. Using a particular representation for the quark propagator in the presence of an external gluon field, functional relations between Green's functions with different numbers of segments of the polygonal lines are established. An integral equation is obtained for the Green's function having a phase factor along a single straight line. The related kernels involve Wilson loops with skew-polygonal contours and with functional derivatives along the sides of the contours.

  4. Surface functionalized mesoporous material and method of making same

    DOE Patents [OSTI]

    Feng, Xiangdong [West Richland, WA; Liu, Jun [West Richland, WA; Fryxell, Glen E. [Kennewick, WA

    2001-12-04

    According to the present invention, an organized assembly of functional molecules with specific interfacial functionality (functional group(s)) is attached to available surfaces including within mesopores of a mesoporous material. The method of the present invention avoids the standard base soak that would digest the walls between the mesopores by boiling the mesoporous material in water for surface preparation then removing all but one or two layers of water molecules on the internal surface of a pore. Suitable functional molecule precursor is then applied to permeate the hydrated pores and the precursor then undergoes condensation to form the functional molecules on the interior surface(s) of the pore(s).

  5. Improved association in a classical density functional theory for water

    SciTech Connect (OSTI)

    Krebs, Eric J.; Schulte, Jeff B.; Roundy, David

    2014-03-28

    We present a modification to our recently published statistical associating fluid theory-based classical density functional theory for water. We have recently developed and tested a functional for the averaged radial distribution function at contact of the hard-sphere fluid that is dramatically more accurate at interfaces than earlier approximations. We now incorporate this improved functional into the association term of our free energy functional for water, improving its description of hydrogen bonding. We examine the effect of this improvement by studying two hard solutes (a hard hydrophobic rod and a hard sphere) and a Lennard-Jones approximation of a krypton atom solute. The improved functional leads to a moderate change in the density profile and a large decrease in the number of hydrogen bonds broken in the vicinity of the hard solutes. We find an improvement of the partial radial distribution for a krypton atom in water when compared with experiment.

  6. sylvania_corporation.pdf

    Energy Savers [EERE]

    rptDOEFairAct2000.PDF&#0; rptDOEFairAct2000.PDF&#0; rptDOEFairAct2000.PDF&#0; (155.02 KB) More Documents & Publications 2002 DOE Final Inherently Governmental and Commercial Activities Inventory 2003 DOE IGCA Inventory Data for web.xls&#0; 3REV2004DOEFAIR.xls&#0;

  7. Fairview High School Wins 24th Colorado Science Bowl - News Releases | NREL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fair Act Inventory Fair Act Inventory This page provides guidance for submission of the DOE FAIR Act Inventory, or otherwise known as the Inherently Governmental Commercial Activities (IGCA) Inventory. The FAIR Act directs Federal agencies to issue each year an inventory of all commercial activities performed by Federal employees. OMB reviews each agency's commercial activities inventory and consults with the agency regarding content. Upon the completion of this review and consultation, the

  8. Fair Act Inventory | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Fair Act Inventory Fair Act Inventory This page provides guidance for submission of the DOE FAIR Act Inventory, or otherwise known as the Inherently Governmental Commercial Activities (IGCA) Inventory. The FAIR Act directs Federal agencies to issue each year an inventory of all commercial activities performed by Federal employees. OMB reviews each agency's commercial activities inventory and consults with the agency regarding content. Upon the completion of this review and consultation, the

  9. Quantum Newtonian cosmology and the biconfluent Heun functions

    SciTech Connect (OSTI)

    Vieira, H. S.; Bezerra, V. B.

    2015-09-15

    We obtain the exact solution of the Schrödinger equation for a particle (galaxy) moving in a Newtonian universe with a cosmological constant, which is given in terms of the biconfluent Heun functions. The first six Heun polynomials of the biconfluent function are written explicitly. The energy spectrum which resembles the one corresponding to the isotropic harmonic oscillator is also obtained. The wave functions as well as the energy levels codify the role played by the cosmological constant.

  10. Covalently functionalized carbon nanostructures and methods for their separation

    DOE Patents [OSTI]

    Wang, YuHuang; Brozena, Alexandra H; Deng, Shunliu; Zhang, Yin

    2015-03-17

    The present invention is directed to carbon nanostructures, e.g., carbon nanotubes, methods of covalently functionalizing carbon nanostructures, and methods of separating and isolating covalently functionalized carbon. In some embodiments, carbon nanotubes are reacted with alkylating agents to provide water soluble covalently functionalized carbon nanotubes. In other embodiments, carbon nanotubes are reacted with a thermally-responsive agent and exposed to light in order to separate carbon nanotubes of a specific chirality from a mixture of carbon nanotubes.

  11. Extractions of polarized and unpolarized parton distribution functions

    SciTech Connect (OSTI)

    Jimenez-Delgado, Pedro

    2014-01-01

    An overview of our ongoing extractions of parton distribution functions of the nucleon is given. First JAM results on the determination of spin-dependent parton distribution functions from world data on polarized deep-inelastic scattering are presented first, and followed by a short report on the status of the JR unpolarized parton distributions. Different aspects of PDF analysis are briefly discussed, including effects of the nuclear structure of targets, target-mass corrections and higher twist contributions to the structure functions.

  12. Printers and Multi-function Devices (Copiers) | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Printers and Multi-function Devices (Copiers) The Ames Laboratory has standardized printer models and multi-functioning devices that meet sustainability requirements. The following devices are recommended for purchase. Printers: HP LaserJet PRO M402dn - Black/White HP LaserJet PRO M452dn Color *both printers meet EPEAT and Energy Star requirements Multi-Functional Devices (MFDs): Canon Imagerunner Imagerunners come in many different configurations and speed varies by model. Contact the

  13. Poster — Thur Eve — 44: Linearization of Compartmental Models for More Robust Estimates of Regional Hemodynamic, Metabolic and Functional Parameters using DCE-CT/PET Imaging

    SciTech Connect (OSTI)

    Blais, AR; Dekaban, M; Lee, T-Y

    2014-08-15

    Quantitative analysis of dynamic positron emission tomography (PET) data usually involves minimizing a cost function with nonlinear regression, wherein the choice of starting parameter values and the presence of local minima affect the bias and variability of the estimated kinetic parameters. These nonlinear methods can also require lengthy computation time, making them unsuitable for use in clinical settings. Kinetic modeling of PET aims to estimate the rate parameter k{sub 3}, which is the binding affinity of the tracer to a biological process of interest and is highly susceptible to noise inherent in PET image acquisition. We have developed linearized kinetic models for kinetic analysis of dynamic contrast enhanced computed tomography (DCE-CT)/PET imaging, including a 2-compartment model for DCE-CT and a 3-compartment model for PET. Use of kinetic parameters estimated from DCE-CT can stabilize the kinetic analysis of dynamic PET data, allowing for more robust estimation of k{sub 3}. Furthermore, these linearized models are solved with a non-negative least squares algorithm and together they provide other advantages including: 1) only one possible solution and they do not require a choice of starting parameter values, 2) parameter estimates are comparable in accuracy to those from nonlinear models, 3) significantly reduced computational time. Our simulated data show that when blood volume and permeability are estimated with DCE-CT, the bias of k{sub 3} estimation with our linearized model is 1.97 ± 38.5% for 1,000 runs with a signal-to-noise ratio of 10. In summary, we have developed a computationally efficient technique for accurate estimation of k{sub 3} from noisy dynamic PET data.

  14. Metagenomic and functional analysis of hindgut microbiota of...

    Office of Scientific and Technical Information (OSTI)

    Visit OSTI to utilize additional information resources in energy science and technology. A ... New insights into other important symbiotic functions including Hsub 2 metabolism, ...

  15. Self-consistent second-order Green's function perturbation theory...

    Office of Scientific and Technical Information (OSTI)

    Self-consistent second-order Green's function perturbation theory for periodic systems ... Sponsoring Org: USDOE Country of Publication: United States Language: English Word Cloud ...

  16. Tuning the Topology and Functionality of Metal-Organic Frameworks...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Tuning the Topology and Functionality of Metal-Organic Frameworks by Ligand Design Previous ... size and effectively introduce unsaturated metal centers (UMCs) into the framework. ...

  17. Introduction of Functionality, Selection of Topology, and Enhancement...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Introduction of Functionality, Selection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal-Organic Framework-177 Previous Next List Zhang, Yue-Biao; Furukawa, ...

  18. Pore Surface Engineering with Controlled Loadings of Functional...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    via Click Chemistry in Highly Stable Metal-Organic Frameworks Previous Next List Hai-Long ... Significantly, the framework and crystallinity of the functionalized MOFs are ...

  19. Thermodynamic Complexity of Carbon Capture in Alkylamine-Functionalize...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Thermodynamic Complexity of Carbon Capture in Alkylamine-Functionalized Metal-Organic ... of CO2 on an alkylamine-appended MOF, mmen-Mg2(dobpdc) employing gas ...

  20. Structural and Functional Basis for Inhibition of Erythrocyte...

    Office of Scientific and Technical Information (OSTI)

    Target Plasmodium falciparum EBA-175 Citation Details In-Document Search Title: Structural and Functional Basis for Inhibition of Erythrocyte Invasion by Antibodies that Target ...

  1. Method for the electro-addressable functionalization of electrode...

    Office of Scientific and Technical Information (OSTI)

    Electro-addressable functionalization of electrode arrays enables the multi-target electrochemical sensing of biological and chemical analytes. Authors: Harper, Jason C. ; Polsky, ...

  2. Molecular functions of the TLE tetramerization domain in Wnt...

    Office of Scientific and Technical Information (OSTI)

    domain in Wnt target gene repression Citation Details In-Document Search Title: Molecular functions of the TLE tetramerization domain in Wnt target gene repression ...

  3. Description of induced nuclear fission with Skyrme energy functionals...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Description of induced nuclear fission with Skyrme energy functionals: Static potential energy surfaces and fission fragment properties ...

  4. Functional Analysis for Double Shell Tank (DST) Subsystems

    SciTech Connect (OSTI)

    CONRADS, T.J.

    2000-01-12

    This analysis identifies the DST Subsystem functions for storing, transferring, receiving, and preparing waste in support of the Waste Feed Delivery mission.

  5. Structure and function of a serine carboxypeptidase adapted for...

    Office of Scientific and Technical Information (OSTI)

    Structure and function of a serine carboxypeptidase adapted for degradation of the protein synthesis antibiotic microcin C7 Citation Details In-Document Search Title: Structure and ...

  6. A Single Multi-Functional Enzyme for Efficient Biomass Conversion...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search A Single Multi-Functional Enzyme for Efficient Biomass Conversion National Renewable Energy ...

  7. Two Studies Reveal Details of Lithium-Battery Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Two Studies Reveal Details of Lithium-Battery Function Print Our way of life is deeply intertwined with battery technologies that have enabled a mobile revolution powering cell...

  8. Poly(ethylene oxide) functionalization (Patent) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    The polymer is dissolved in warmed toluene, treated with an excess of organic base and ... This procedure enables functionalization of the polymer while not requiring laborious ...

  9. Deep Bed Adsorption Testing using Silver-Functionalized Aerogel...

    Office of Scientific and Technical Information (OSTI)

    Bed Adsorption Testing using Silver-Functionalized Aerogel Nick Soelberg; Tony Watson 12 MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES aerogel; iodine...

  10. Metal-Dependent Function of a Mammalian Acireductone Dioxygenase...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Metal-Dependent Function of a Mammalian ... Publication Date: 2016-04-20 OSTI Identifier: 1248405 Resource Type: Journal Article ...

  11. METAGENOMICS-ENABLED UNDERSTANDING OF THE FUNCTIONS AND ACTIVITIES...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: METAGENOMICS-ENABLED UNDERSTANDING OF THE FUNCTIONS AND ACTIVITIES OF MICROBIAL COMMUNITIES AT ERSP FIELD RESEARCH Citation Details In-Document Search Title: ...

  12. Method for the electro-addressable functionalization of electrode...

    Office of Scientific and Technical Information (OSTI)

    Title: Method for the electro-addressable functionalization of electrode arrays A method for preparing an electrochemical biosensor uses bias-assisted assembly of unreactive -onium ...

  13. Optimization of Gutzwiller wave functions in quantum Monte Carlo

    SciTech Connect (OSTI)

    Koch, E.; Gunnarsson, O.; Martin, R.M.

    1999-06-01

    Gutzwiller functions are popular variational wave functions for correlated electrons in Hubbard models. Following the variational principle, we are interested in the Gutzwiller parameters that minimize, e.g., the expectation value of the energy. Rewriting the expectation value as a rational function in the Gutzwiller parameters, we find a very efficient way for performing that minimization. The method can be used to optimize general Gutzwiller-type wave functions both in variational and in fixed-node diffusion Monte Carlo. {copyright} {ital 1999} {ital The American Physical Society}

  14. Structure and Function of Microbial Metal-Reduction Proteins...

    Office of Scientific and Technical Information (OSTI)

    Function of Microbial Metal-Reduction Proteins Xu, Ying; Crawford, Oakly H.; Xu, Dong; Larimer, Frank W.; Uberbacher, Edward C.; Zhou, Jizhong 97 MATHEMATICS AND COMPUTING; 59...

  15. Isostructural Metal-Organic Frameworks Assembled from Functionalized...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Assembled from Functionalized Diisophthalate Ligands through a Ligand-Truncation Strategy Previous Next List Yangyang Liu, Jian-Rong Li, Wolfgang M. Verdegaal, Tian-Fu Liu,...

  16. Final Report on LDRD project 130784 : functional brain imaging...

    Office of Scientific and Technical Information (OSTI)

    brain imaging by tunable multi-spectral Event-Related Optical Signal (EROS). Citation Details In-Document Search Title: Final Report on LDRD project 130784 : functional brain ...

  17. Covariant functional diffusion equation for Polyakov's bosonic string

    SciTech Connect (OSTI)

    Botelho, L. C. L.

    1989-07-15

    I write a covariant functional diffusion equation for Polyakov's bosonic string with the string's world-sheet area playing the role of proper time.

  18. Density functional theory and conductivity studies of boron-based...

    Office of Scientific and Technical Information (OSTI)

    The receptors are also potentially beneficial to rechargeable lithium ion and lithium air batteries. We apply Density Functional Theory (DFT) to show that an oxalate-based ...

  19. DOE A9024 Final Report Functional and Nanoscale Materials Systems...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: DOE A9024 Final Report Functional and Nanoscale Materials Systems: Frontier Programs of Science at the Frederick Seitz Materials Research Laboratory Citation...

  20. Description of Induced Nuclear Fission with Skyrme Energy Functionals...

    Office of Scientific and Technical Information (OSTI)

    Fragment Properties Citation Details In-Document Search Title: Description of Induced Nuclear Fission with Skyrme Energy Functionals: I. Static Potential Energy Surfaces and...

  1. FOAM (Functional Ontology Assignments for Metagenomes): A Hidden...

    Office of Scientific and Technical Information (OSTI)

    Ontology Assignments for Metagenomes): A Hidden Markov Model (HMM) database with environmental focus Citation Details In-Document Search Title: FOAM (Functional Ontology...

  2. Defining the functional determinants for RNA surveillance by...

    Office of Scientific and Technical Information (OSTI)

    Defining the functional determinants for RNA surveillance by RIG-I Citation Details ... Research Org: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL ...

  3. Discovery of functional toxin/antitoxin systems in bacteria by...

    Office of Scientific and Technical Information (OSTI)

    ...antitoxin systems in bacteria by shotgun cloning Citation Details In-Document Search Title: Discovery of functional toxinantitoxin systems in bacteria by shotgun cloning ...

  4. Two Studies Reveal Details of Lithium-Battery Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Two Studies Reveal Details of Lithium-Battery Function Print Our way of life is deeply intertwined with battery technologies that have enabled a mobile revolution powering cell ...

  5. An optimal point spread function subtraction algorithm for high...

    Office of Scientific and Technical Information (OSTI)

    An optimal point spread function subtraction algorithm for high-contrast imaging: a ... This image is built as a linear combination of all available images and is optimized ...

  6. Half-harmonic Kelvin probe force microscopy with transfer function...

    Office of Scientific and Technical Information (OSTI)

    Using linear and half-harmonic BE enables quantitative correction of the cantilever transfer function. Half-harmonic band excitation Kelvin probe force microscopy (HBE KPFM) thus ...

  7. Pseudorandom functions revisited: The cascade construction and its concrete security

    SciTech Connect (OSTI)

    Bellare, M.; Canetti, R.; Krawczyk, H.

    1996-12-31

    Pseudorandom function families are a powerful cryptographic primitive, yielding, in particular, simple solutions for the main problems in private key cryptography. Their existence based on general assumptions (namely, the existence of one-way functions) has been established. In this work we investigate new ways of designing pseudorandom function families. The goal is to find constructions that are both efficient and secure, and thus eventually to bring the benefits of pseudorandom functions to practice. The basic building blocks in our design are certain limited versions of pseudorandom function families, called finite-length input pseudorandom function families, for which very efficient realizations exist in practical cryptography. Thus rather than starting from one-way functions, we propose constructions of {open_quote}full-fledged{close_quotes} pseudorandom function families from these limited ones. In particular we propose the cascade construction, and provide a concrete security analysis which relates the strength of the cascade to that of the underlying finite pseudorandom function family in a precise and quantitative way.

  8. Remote sensing-based characterization of plant functional type...

    Office of Scientific and Technical Information (OSTI)

    Mapping and monitoring of changes in vegetation is essential to understand the effect of climate change on the ecosystem functions. Vegetation exhibits unique spectral...

  9. National Rotor Testbed Functional Scaling Presented at American...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Functional Scaling Presented at American Institute of Aeronautics and Astronautics 2014 ... Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, ...

  10. Description of Induced Nuclear Fission with Skyrme Energy Functionals...

    Office of Scientific and Technical Information (OSTI)

    Description of Induced Nuclear Fission with Skyrme Energy Functionals: II. Finite Temperature Effects Citation Details In-Document Search Title: Description of Induced Nuclear ...

  11. Remote sensing-based characterization of plant functional type

    Office of Scientific and Technical Information (OSTI)

    Mapping and monitoring of changes in vegetation is essential to understand the effect of climate change on the ecosystem functions. Vegetation exhibits unique spectral...

  12. Autocorrelation Function Statistics and Implication to Decay Ratio Estimation

    SciTech Connect (OSTI)

    March-Leuba, Jose A.

    2016-01-01

    This document summarizes the results of a series of computer simulations to attempt to identify the statistics of the autocorrelation function, and implications for decay ratio estimation.

  13. Mapping of Functional Groups in Metal-Organic Frameworks | Center...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mapping of Functional Groups in Metal-Organic Frameworks Previous Next List Xueqian Kong, Hexiang Deng, Fangyong Yan, Jihan Kim, Joseph A. Swisher, Berend Smit, Omar M. Yaghi,...

  14. Post-Fabrication Placement of Arbitrary Chemical Functionality...

    Office of Scientific and Technical Information (OSTI)

    Post-Fabrication Placement of Arbitrary Chemical Functionality on Microphase-Separated Thin Films of Amine-Reactive Block Copolymers Citation Details In-Document Search Title: ...

  15. Directed Organization of Functional Materials at Inorganic-Macromolecu...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Directed Organization of Functional Materials at Inorganic-Macromolecular Interfaces Research The purpose of this project is to develop a quantitative physical picture of...

  16. Deep Bed Adsorption Testing using Silver-Functionalized Aerogel...

    Office of Scientific and Technical Information (OSTI)

    Title: Deep Bed Adsorption Testing using Silver-Functionalized Aerogel Nuclear fission ... Subject: 12 MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES ...

  17. ANALOG QUANTUM NEURON FOR FUNCTIONS APPROXIMATION A. EZHOV; A...

    Office of Scientific and Technical Information (OSTI)

    FOR FUNCTIONS APPROXIMATION A. EZHOV; A. KHROMOV; G. BERMAN 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; IMPLEMENTATION; NERVE CELLS; WAVEGUIDES We describe a system able...

  18. Magneto-Optic Biosensor Using Bio-Functionalized Magnetic Nanoparticle...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Magneto-Optic Biosensor Using Bio-Functionalized Magnetic Nanoparticles Technology available for licensing: A long-range interaction between magnetic nanoparticles and an external...

  19. Self Assembly of Boronic Acid-Functionalized Peptides. (Conference...

    Office of Scientific and Technical Information (OSTI)

    Title: Self Assembly of Boronic Acid-Functionalized Peptides. Abstract not provided. Authors: Jones, Brad Howard ; Martinez, Alina Marissa ; Wheeler, Jill S. ; McKenzie, Bonnie B. ...

  20. Rapid discovery and functional characterization of terpene synthases...

    Office of Scientific and Technical Information (OSTI)

    Title: Rapid discovery and functional characterization of terpene synthases from four endophytic xylariaceae Endophytic fungi are ubiquitous plant endosymbionts that establish ...

  1. Work Functions of the transition Metals and Metal Silicides ...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Work Functions of the transition Metals and Metal Silicides Citation Details In-Document Search ... Publication Date: 1999-02-15 OSTI Identifier: 3597 Report ...

  2. Structural and Functional Basis for Broad-spectrum Neutralization...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Structural and Functional Basis for Broad-spectrum Neutralization of Avian and Human ... globally that have little or no immunity, represents a grave threat to human health. ...

  3. ARES: automated response function code. Users manual. [HPGAM and LSQVM

    SciTech Connect (OSTI)

    Maung, T.; Reynolds, G.M.

    1981-06-01

    This ARES user's manual provides detailed instructions for a general understanding of the Automated Response Function Code and gives step by step instructions for using the complete code package on a HP-1000 system. This code is designed to calculate response functions of NaI gamma-ray detectors, with cylindrical or rectangular geometries.

  4. Azide functionalized poly(3-hexylthiophene) and method of forming same

    DOE Patents [OSTI]

    Qin, Yang; Grubbs, Robert B; Park, Young Suk

    2014-03-25

    The invention relates azide functionalized poly(3-hexylthiophene)s. Various azide functionalized poly(3-hexylthiophene)s and intermediates are disclosed and described, as well as method for making novel monomers that are synthesized and transformed into P3HT-N.sub.mp for use as organic conducting polymers in organic photovoltaic devices.

  5. Nucleophilic substitution reaction for post-functionalization of polyoxometalates

    SciTech Connect (OSTI)

    Yin, Panchao; Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Wei, Yongge

    2015-07-06

    In this study, a hexamolybdate-based organic inorganic hybrid molecule containing a chloralkane fragment is synthesized and its Cl atom can be substituted by iodine and nitrate through nucleophilic substitution reactions in high yields, which provide a post-functionalization protocol to bring in various additional functional groups into polyoxometalate-based hybrid materials under mild conditions.

  6. Propagation of spectral functions and dilepton production at SIS energies

    SciTech Connect (OSTI)

    Wolf, Gy.; Kaempfer, B.; Zetenyi, M.

    2012-06-15

    The time evolution of vector meson spectral functions is studied within a BUU-type transport model. Applications focus on {rho} and {omega} mesons being important pieces for the interpretation of the dielectron invariant mass spectrum. Since the evolution of the spectral functions is driven by the local density, the inmedium modifications turn out to compete, in this approach, with the known vacuum contributions.

  7. Functionalized mesoporous silica nanoparticles for oral delivery of budesonide

    SciTech Connect (OSTI)

    Yoncheva, K.; Popova, M.; Szegedi, A.; Mihaly, J.; Tzankov, B.; Lambov, N.; Konstantinov, S.; Tzankova, V.; Pessina, F.; Valoti, M.

    2014-03-15

    Non-functionalized and amino-functionalized mesoporous silica nanoparticle were loaded with anti-inflammatory drug budesonide and additionally post-coated with bioadhesive polymer (carbopol). TEM images showed spherical shape of the nanoparticles and slightly higher polydispersity after coating with carbopol. Nitrogen physisorption and thermogravimetic analysis revealed that more efficient loading and incorporation into the pores of nanoparticles was achieved with the amino-functionalized silica carrier. Infrared spectra indicated that the post-coating of these nanoparticles with carbopol led to the formation of bond between amino groups of the functionalized carrier and carboxyl groups of carbopol. The combination of amino-functionalization of the carrier with the post-coating of the nanoparticles sustained budesonide release. Further, an in vitro model of inflammatory bowel disease showed that the cytoprotective effect of budesonide loaded in the post-coated silica nanoparticles on damaged HT-29 cells was more pronounced compared to the cytoprotection obtained with pure budesonide. -- Graphical abstract: Silica mesoporous MCM-41 particles were amino-functionalized, loaded with budesonide and post-coated with bioadhesive polymer (carbopol) in order to achieve prolonged residence of anti-inflammatory drug in GIT. Highlights: Higher drug loading in amino-functionalized mesoporous silica. Amino-functionalization and post-coating of the nanoparticles sustained drug release. Achievement of higher cytoprotective effect with drug loaded into the nanoparticles.

  8. US Nuclear Regulatory Commission organization charts and functional statements

    SciTech Connect (OSTI)

    1997-11-01

    This document contains organization charts for the U.S. Nuclear Regulatory Commission (NRC) and for the five offices of the NRC. Function statements are provided delineating the major responsibilities and operations of each office. Organization and function are provided to the branch level. The head of each office, division, and branch is also listed.

  9. Local representation of the electronic dielectric response function

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lu, Deyu; Ge, Xiaochuan

    2015-12-11

    We present a local representation of the electronic dielectric response function, based on a spatial partition of the dielectric response into contributions from each occupied Wannier orbital using a generalized density functional perturbation theory. This procedure is fully ab initio, and therefore allows us to rigorously define local metrics, such as “bond polarizability,” on Wannier centers. We show that the locality of the bare response function is determined by the locality of three quantities: Wannier functions of the occupied manifold, the density matrix, and the Hamiltonian matrix. Furthermore, in systems with a gap, the bare dielectric response is exponentially localized,more » which supports the physical picture of the dielectric response function as a collection of interacting local responses that can be captured by a tight-binding model.« less

  10. Local representation of the electronic dielectric response function

    SciTech Connect (OSTI)

    Lu, Deyu; Ge, Xiaochuan

    2015-12-11

    We present a local representation of the electronic dielectric response function, based on a spatial partition of the dielectric response into contributions from each occupied Wannier orbital using a generalized density functional perturbation theory. This procedure is fully ab initio, and therefore allows us to rigorously define local metrics, such as “bond polarizability,” on Wannier centers. We show that the locality of the bare response function is determined by the locality of three quantities: Wannier functions of the occupied manifold, the density matrix, and the Hamiltonian matrix. Furthermore, in systems with a gap, the bare dielectric response is exponentially localized, which supports the physical picture of the dielectric response function as a collection of interacting local responses that can be captured by a tight-binding model.

  11. The Four-loop Six-gluon NMHV Ratio Function

    SciTech Connect (OSTI)

    Dixon, Lance J.; von Hippel, Matt; McLeod, Andrew J.

    2015-09-29

    We use the hexagon function bootstrap to compute the ratio function which characterizes the next-to-maximally-helicity-violating (NMHV) six-point amplitude in planar N = 4 super-Yang-Mills theory at four loops. A powerful constraint comes from dual superconformal invariance, in the form of a Q- differential equation, which heavily constrains the first derivatives of the transcendental functions entering the ratio function. At four loops, it leaves only a 34-parameter space of functions. Constraints from the collinear limits, and from the multi-Regge limit at the leading-logarithmic (LL) and next-to-leading-logarithmic (NLL) order, suffice to fix these parameters and obtain a unique result. We test the result against multi- Regge predictions at NNLL and N3LL, and against predictions from the operator product expansion involving one and two flux-tube excitations; all cross-checks are satisfied. We also study the analytical and numerical behavior of the parity-even and parity-odd parts on various lines and surfaces traversing the three-dimensional space of cross ratios. As part of this program, we characterize all irreducible hexagon functions through weight eight in terms of their coproduct. Furthermore, we provide representations of the ratio function in particular kinematic regions in terms of multiple polylogarithms.

  12. The four-loop six-gluon NMHV ratio function

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dixon, Lance J.; von Hippel, Matt; McLeod, Andrew J.

    2016-01-11

    We use the hexagon function bootstrap to compute the ratio function which characterizes the next-to-maximally-helicity-violating (NMHV) six-point amplitude in planar N=4 super-Yang-Mills theory at four loops. A powerful constraint comes from dual superconformal invariance, in the form of a Q¯ differential equation, which heavily constrains the first derivatives of the transcendental functions entering the ratio function. At four loops, it leaves only a 34-parameter space of functions. Constraints from the collinear limits, and from the multi-Regge limit at the leading-logarithmic (LL) and next-to-leading-logarithmic (NLL) order, suffice to fix these parameters and obtain a unique result. We test the result againstmore » multi-Regge predictions at NNLL and N3LL, and against predictions from the operator product expansion involving one and two flux-tube excitations; all cross-checks are satisfied. We study the analytical and numerical behavior of the parity-even and parity-odd parts on various lines and surfaces traversing the three-dimensional space of cross ratios. As part of this program, we characterize all irreducible hexagon functions through weight eight in terms of their coproduct. As a result, we also provide representations of the ratio function in particular kinematic regions in terms of multiple polylogarithms.« less

  13. Gas sorption properties of zwitterion-functionalized carbon nanotubes

    SciTech Connect (OSTI)

    Surapathi, Anil; Chen, Hang-yan; Marand, Eva; Johnson, J. Karl; Sedlakova, Zdenka

    2013-02-01

    We have functionalized carbon nanotubes with carboxylic acid and zwitterion groups. We have evaluated the effect of functionalization by measuring the sorption of CO{sub 2}, CH{sub 4}, and N{sub 2} at 35℃ for pressures up to 10 bar. Zwitterion functionalized nanotubes were found to be highly hygroscopic. Thermal gravimetric analysis indicates that water can be desorbed at about 200°C. The adsorption of gases in zwitterion functionalized nanotubes is dramatically reduced compared with nanotubes functionalized with carboxylic acid groups. The presence of water on the zwitterion functionalized nanotube reduces the sorption even further. Molecular simulations show that three or more zwitterion groups per tube entrance are required to significantly reduce the flux of CO{sub 2} into the tubes. Simulations also show that gas phase water is rapidly sorbed into the zwitterion functionalized nanotubes, both increasing the free energy barrier to CO{sub 2} entering the tube and also lowering the equilibrium adsorption through competitive adsorption.

  14. Hybrid function projective synchronization in complex dynamical networks

    SciTech Connect (OSTI)

    Wei, Qiang; Wang, Xing-yuan, E-mail: wangxy@dlut.edu.cn; Hu, Xiao-peng [Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China)] [Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China)

    2014-02-15

    This paper investigates hybrid function projective synchronization in complex dynamical networks. When the complex dynamical networks could be synchronized up to an equilibrium or periodic orbit, a hybrid feedback controller is designed to realize the different component of vector of node could be synchronized up to different desired scaling function in complex dynamical networks with time delay. Hybrid function projective synchronization (HFPS) in complex dynamical networks with constant delay and HFPS in complex dynamical networks with time-varying coupling delay are researched, respectively. Finally, the numerical simulations show the effectiveness of theoretical analysis.

  15. Functionalized polymers for binding to solutes in aqueous solutions

    DOE Patents [OSTI]

    Smith, Barbara F.; Robison, Thomas W.

    2006-11-21

    A functionalized polymer for binding a dissolved molecule in an aqueous solution is presented. The polymer has a backbone polymer to which one or more functional groups are covalently linked. The backbone polymer can be such polymers as polyethylenimine, polyvinylamine, polyallylamine, and polypropylamine. These polymers are generally water-soluble, but can be insoluble when cross-linked. The functional group can be for example diol derivatives, polyol derivatives, thiol and dithiol derivatives, guest-host groups, affinity groups, beta-diphosphonic acids, and beta-diamides

  16. Green's function evaluation for three-dimensional exponentially graded elasticity

    SciTech Connect (OSTI)

    Criado Portero, Rafael M; Gray, Leonard J; Mantic, Vladislav; Paris, Federico

    2008-01-01

    The numerical implementation of the Green's function for an isotropic exponentially graded three dimensional elastic solid is reported. The formulas for the nonsingular {\\lq}grading term{\\rq} in this Green's function, originally deduced by Martin et al., \\emph{Proc. R. Soc. Lond. A, 458, 1931-1947, 2000}, are quite complicated, and a small error in one of the formulas is corrected. The evaluation of the fundamental solution is tested by employing indirect boundary integral formulation using a Galerkin approximation to solve several problems having analytic solutions. The numerical results indicate that the Green's function formulas, and their evaluation, are correct.

  17. A radial basis function Galerkin method for inhomogeneous nonlocal diffusion

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lehoucq, Richard B.; Rowe, Stephen T.

    2016-02-01

    We introduce a discretization for a nonlocal diffusion problem using a localized basis of radial basis functions. The stiffness matrix entries are assembled by a special quadrature routine unique to the localized basis. Combining the quadrature method with the localized basis produces a well-conditioned, sparse, symmetric positive definite stiffness matrix. We demonstrate that both the continuum and discrete problems are well-posed and present numerical results for the convergence behavior of the radial basis function method. As a result, we explore approximating the solution to anisotropic differential equations by solving anisotropic nonlocal integral equations using the radial basis function method.

  18. Computing the hadronic vacuum polarization function by analytic continuation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Feng, Xu; Hashimoto, Shoji; Hotzel, Grit; Jansen, Karl; Petschlies, Marcus; Renner, Dru B.

    2013-08-29

    We propose a method to compute the hadronic vacuum polarization function on the lattice at continuous values of photon momenta bridging between the spacelike and timelike regions. We provide two independent demonstrations to show that this method leads to the desired hadronic vacuum polarization function in Minkowski spacetime. We present with the example of the leading-order QCD correction to the muon anomalous magnetic moment that this approach can provide a valuable alternative method for calculations of physical quantities where the hadronic vacuum polarization function enters.

  19. Sinc function representation and three-loop master diagrams

    SciTech Connect (OSTI)

    Easther, Richard; Guralnik, Gerald; Hahn, Stephen

    2001-04-15

    We test the Sinc function representation, a novel method for numerically evaluating Feynman diagrams, by using it to evaluate the three-loop master diagrams. Analytical results have been obtained for all these diagrams, and we find excellent agreement between our calculations and the exact values. The Sinc function representation converges rapidly, and it is straightforward to obtain accuracies of 1 part in 10{sup 6} for these diagrams and with longer runs we found results better than 1 part in 10{sup 12}. Finally, this paper extends the Sinc function representation to diagrams containing massless propagators.

  20. COLLOQUIUM: Functional Capabilities and Design of the ITER EC...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    MBG Auditorium, PPPL (284 cap.) COLLOQUIUM: Functional Capabilities and Design of the ITER EC H&CD System Dr. Mark Henderson ITER Organization A 24MW Electron Cyclotron (EC) system ...

  1. Metagenomic and functional analysis of hindgut microbiota of...

    Office of Scientific and Technical Information (OSTI)

    of hindgut microbiota of a wood-feeding higher termite Citation Details In-Document Search Title: Metagenomic and functional analysis of hindgut microbiota of a wood-feeding ...

  2. Introduction of Functionalized Mesopores to Metal-Organic Frameworks...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Introduction of Functionalized Mesopores to Metal-Organic Frameworks via Metal-Ligand-Fragment Coassembly Previous Next List Jinhee Park, Zhiyong U. Wang, Lin-Bing Sun, Ying-Pin...

  3. Structural and functional analysis of Nup120 suggests ring formation...

    Office of Scientific and Technical Information (OSTI)

    Title: Structural and functional analysis of Nup120 suggests ring formation of the Nup84 complex Authors: Seo, Hyuk-Soo ; Ma, Yingli ; Debler, Erik W. ; Wacker, Daniel ; Kutik, ...

  4. Measurement of the optical dielectric function of monolayertransition...

    Office of Scientific and Technical Information (OSTI)

    Measurement of the optical dielectric function of monolayer transition-metal dichalcogenides:MoS2,MoSe2,WS2, andWSe2 This content will become publicly available on November 17,...

  5. Assembling Appliances Standards from a Basket of Functions

    SciTech Connect (OSTI)

    Siderious, Hans-Paul; Meier, Alan

    2014-08-11

    Rapid innovation in product design challenges the current methodology for setting standards and labels, especially for electronics, software and networking. Major problems include defining the product, measuring its energy consumption, and choosing the appropriate metric and level for the standard. Most governments have tried to solve these problems by defining ever more specific product subcategories, along with their corresponding test methods and metrics. An alternative approach would treat each energy-using product as something that delivers a basket of functions. Then separate standards would be constructed for the individual functions that can be defined, tested, and evaluated. Case studies of thermostats, displays and network equipment are presented to illustrate the problems with the classical approach for setting standards and indicate the merits and drawbacks of the alternative. The functional approach appears best suited to products whose primary purpose is processing information and that have multiple functions.

  6. Reconstruction of local neutron physical functionals in surface harmonics method

    SciTech Connect (OSTI)

    Boyarinov, V. F. Nevinitsa, V. A.

    2010-12-15

    Formulas for reconstruction of local neutron physical functionals for a three-stage calculation of a 2D VVER-1000 core using the surface harmonics method are obtained, implemented in the SUHAM code, and verified.

  7. Pulmonary function and respiratory symptoms in potash workers

    SciTech Connect (OSTI)

    Graham, B.L.; Dosman, J.A.; Cotton, D.J.; Weisstock, S.R.; Lappi, V.G.; Froh, F.

    1984-03-01

    Over 94% of the workers in each of four Saskatchewan potash mines participated in a respiratory health surveillance program that included a questionnaire and pulmonary function tests. Compared with a nonexposed control group, potash workers had higher prevalences of cough, dyspnea, and chronic bronchitis but better pulmonary function. Prevalences of symptoms and pulmonary function abnormalities were similar among workers at the four mines tested and at the various job locations. Potash dust, diesel fumes, and other air contaminants may have an irritant effect that leads to the increased prevalences of cough and chronic bronchitis. Although we found no adverse effects of the potash mine environment on pulmonary function, these findings reflect a healthy worker effect or some selection process that makes the potash workers appear healthier in a cross-sectional study.

  8. Pulmonary function and respiratory symptoms in potash workers

    SciTech Connect (OSTI)

    Graham, B.L.; Dosman, J.A.; Cotton, D.J.; Weisstock, S.R.; Lappi, V.G.; Froh, F.

    1984-03-01

    Over 94% of the workers in each of four Saskatchewan potash mines participated in a respiratory health surveillance program that included a questionnaire and pulmonary function tests. Compared with a nonexposed control group, potash workers had higher prevalences of cough, dyspnea, and chronic bronchitis but better pulmonary function. Prevalences of symptoms and pulmonary function abnormalities were similar among workers at the four mines tested and at the various job locations. Potash dust, diesel fumes, and other air contaminants may have an irritant effect that leads to the increased prevalences of cough and chronic bronchitis. Although no adverse effects of the potash mine environment on pulmonary function were found, these findings reflect a healthy worker effect or some selection process that makes the potash workers appear healthier in a cross-sectional study.

  9. Thermodynamic Complexity of Carbon Capture in Alkylamine-Functionalize...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Thermodynamic Complexity of Carbon Capture in Alkylamine-Functionalized Metal-Organic Frameworks Previous Next List D. Wu, T. M. McDonald, Z. Quan, S. V. Ushakov, P. Zhang, J. R....

  10. New approach to folding with the Coulomb wave function

    SciTech Connect (OSTI)

    Blokhintsev, L. D.; Savin, D. A.; Kadyrov, A. S.; Mukhamedzhanov, A. M.

    2015-05-15

    Due to the long-range character of the Coulomb interaction theoretical description of low-energy nuclear reactions with charged particles still remains a formidable task. One way of dealing with the problem in an integral-equation approach is to employ a screened Coulomb potential. A general approach without screening requires folding of kernels of the integral equations with the Coulomb wave. A new method of folding a function with the Coulomb partial waves is presented. The partial-wave Coulomb function both in the configuration and momentum representations is written in the form of separable series. Each term of the series is represented as a product of a factor depending only on the Coulomb parameter and a function depending on the spatial variable in the configuration space and the momentum variable if the momentum representation is used. Using a trial function, the method is demonstrated to be efficient and reliable.

  11. The Impact of Theoretical Uncertainties in the Halo Mass Function...

    Office of Scientific and Technical Information (OSTI)

    thapprox 10sup 13.7 hsup -1 Msub sun; for such a survey, the mass function and ... CLUSTERS; MASS; NONLUMINOUS MATTER; SKY; SUN; WELLS Astrophysics,ASTRO Word Cloud More ...

  12. N-terminal horseshoe conformation of DCC is functionally required...

    Office of Scientific and Technical Information (OSTI)

    N-terminal horseshoe conformation of DCC is functionally required for axon guidance and might be shared by other neural receptors Citation Details In-Document Search Title: N-termi...

  13. Structure and Function of Microbial Metal-Reduction Proteins

    Office of Scientific and Technical Information (OSTI)

    "Structure and Function of Microbial Metal-Reduction Proteins" PI: Ying Xu Co-PI: Oakley H. Crawford Dong Xu Frank W Larimer Edward C. Uberbacher Jizhong Zhou Descriptionabstract: ...

  14. Betatron-Function Measurement in Lattices with 90-Degrees Sections

    SciTech Connect (OSTI)

    Wienands, U.; Biagini, M.E.; /Frascati

    2012-04-24

    Lattice functions derived from betatron phase-advance measurements have been used successfully at many e{sup +}-e{sup -} facilities in the world, including at the PEP-II High Energy Ring. For the Low energy Ring of PEP-II, however, extraction of meaningful beta functions is hampered by the 90{sup o} phase advance/cell in the arcs, which causes a singularity in the expressions for beta. An algorithm has been developed calculating beta functions based on {beta} and {alpha} at the beginning of an arc and tracking the Twiss parameters through the arc while matching the observed phase advance/cell. Stability of the algorithm is improved by doing the same calculation 'backward' as well as forward and averaging the result. The algorithm allows estimating beta functions at bad BPMs in many cases. The paper presents the algorithm used as well as examples of use in PEP.

  15. Two Studies Reveal Details of Lithium-Battery Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Two Studies Reveal Details of Lithium-Battery Function Print Our way of life is deeply ... As conventional lithium-ion batteries approach their theoretical energy-storage limits, ...

  16. Overview of Unpolarized Structure Function Measurements at High x

    SciTech Connect (OSTI)

    Holt, Roy J.

    2011-09-21

    A motivation and overview for recent measurements of unpolarized structure functions for the nucleon will be presented. Particular attention will be given to new experiments aimed at providing new high-x data.

  17. Function allocation in distributed safeguards and security systems

    SciTech Connect (OSTI)

    Barlich, G.L. )

    1991-01-01

    Computerized distributed systems are being used to collect and manage data for activities such as nuclear materials accounting, process control, laboratory coordination, and security. Poor choices made in allocating functions to individual processors can make a system unusable by burdening machines with excessive network retrievals and updates. During system design phases, data allocation algorithms based on operation frequencies, field sizes, security information, and reliability requirements can be applied in sensitivity studies to mathematically ensure processor efficiency. The Los Alamos Network Design System (NDS) implements such an allocation algorithm. The authors analyzed a large, existing distributed system to test the cost functions and to compare actual network problems with NDS results. Several common configurations were also designed and studied using the software. From these studies, some basic principles for allocating functions emerged. In this paper recommendations for function allocation in generic systems and related design options are discussed.

  18. Self Assembly of Boronic Acid-Functionalized Peptides

    Office of Scientific and Technical Information (OSTI)

    500 nm Self Assembly of Boronic Add-Functionalized Peptides Brad H. Jones, Alina M. Martinez, Jill S. Wheeler, Bonnie B. McKenzie, David R. Wheeler, and Erik D. Spoerke October ...

  19. Alarm guided critical function and success path monitoring

    DOE Patents [OSTI]

    Scarola, Kenneth; Jamison, David S.; Manazir, Richard M.; Rescorl, Robert L.; Harmon, Daryl L.

    1994-01-01

    The use of alarm indication on the overview (IPSO) display to initiate diagnosis of challenges to critical functions or unavailability of success paths, and further alarm-based guidance toward ultimate diagnosis.

  20. Alternative Electrostatic Green's Function for a Long Tube

    SciTech Connect (OSTI)

    Barlow, Stephan E.

    2003-11-01

    This note describes an expression for the electrostatic Green's function in a long conducting tube. The expression allows one to readily compute the potentials and fields at and in the vicinity of the singularity where other methods have difficulty.

  1. Efficient Real-Time Time-Dependent Density Functional Theory...

    Office of Scientific and Technical Information (OSTI)

    Efficient Real-Time Time-Dependent Density Functional Theory Method and its Application to a Collision of an Ion with a 2D Material Title: Efficient Real-Time Time-Dependent ...

  2. Using the electron localization function to correct for confinement physics in semi-local density functional theory

    SciTech Connect (OSTI)

    Hao, Feng Mattsson, Ann E.; Armiento, Rickard

    2014-05-14

    We have previously proposed that further improved functionals for density functional theory can be constructed based on the Armiento-Mattsson subsystem functional scheme if, in addition to the uniform electron gas and surface models used in the Armiento-Mattsson 2005 functional, a model for the strongly confined electron gas is also added. However, of central importance for this scheme is an index that identifies regions in space where the correction provided by the confined electron gas should be applied. The electron localization function (ELF) is a well-known indicator of strongly localized electrons. We use a model of a confined electron gas based on the harmonic oscillator to show that regions with high ELF directly coincide with regions where common exchange energy functionals have large errors. This suggests that the harmonic oscillator model together with an index based on the ELF provides the crucial ingredients for future improved semi-local functionals. For a practical illustration of how the proposed scheme is intended to work for a physical system we discuss monoclinic cupric oxide, CuO. A thorough discussion of this system leads us to promote the cell geometry of CuO as a useful benchmark for future semi-local functionals. Very high ELF values are found in a shell around the O ions, and take its maximum value along the Cu–O directions. An estimate of the exchange functional error from the effect of electron confinement in these regions suggests a magnitude and sign that could account for the error in cell geometry.

  3. Center for the Computational Design of Functional Layered Materials (CCDM)

    Office of Science (SC) Website

    | U.S. DOE Office of Science (SC) the Computational Design of Functional Layered Materials (CCDM) Energy Frontier Research Centers (EFRCs) EFRCs Home Centers EFRC External Websites Research Science Highlights News & Events Publications History Contact BES Home Centers Center for the Computational Design of Functional Layered Materials (CCDM) Print Text Size: A A A FeedbackShare Page CCDM Header Director John Perdew Lead Institution Temple University Year Established 2014 Mission To

  4. Density Functional Theory with Dissipation: Transport through Single Molecules

    SciTech Connect (OSTI)

    Kieron Burke

    2012-04-30

    A huge amount of fundamental research was performed on this grant. Most of it focussed on fundamental issues of electronic structure calculations of transport through single molecules, using density functional theory. Achievements were: (1) First density functional theory with dissipation; (2) Pseudopotential plane wave calculations with master equation; (3) Weak bias limit; (4) Long-chain conductance; and (5) Self-interaction effects in tunneling.

  5. From Protein Structure to Function: Ring Cycle for Dilating and

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Constricting the Nuclear Pore From Protein Structure to Function: Ring Cycle for Dilating and Constricting the Nuclear Pore From Protein Structure to Function: Ring Cycle for Dilating and Constricting the Nuclear Pore Print Wednesday, 28 August 2013 00:00 Nuclear pore complexes (NPCs) act as the central gatekeepers for selective transport between the cytoplasm and the nucleus. They allow the exchange of selected proteins and ribonucleoproteins, while preventing the transport of material not

  6. Direct Observation of Localized Radial Oxygen Migration in Functioning

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Tantalum Oxide Memristors Direct Observation of Localized Radial Oxygen Migration in Functioning Tantalum Oxide Memristors Direct Observation of Localized Radial Oxygen Migration in Functioning Tantalum Oxide Memristors Print Monday, 11 April 2016 14:29 As information bits of 0s and 1s are stored in crosspoint tantalum oxide memristors, or resistive random access memory (RRAM) cells, nanoscale-resolution in operando x-ray transmission spectromicroscopy is used to directly observe oxygen

  7. A Functional Test Platform for the Community Land Model

    SciTech Connect (OSTI)

    Xu, Yang; Thornton, Peter E; King, Anthony Wayne; Steed, Chad A; Gu, Lianhong; Schuchart, Joseph

    2014-01-01

    A functional test platform is presented to create direct linkages between site measurements and the process-based ecosystem model within the Community Earth System Models (CESM). The platform consists of three major parts: 1) interactive user interfaces, 2) functional test model and 3) observational datasets. It provides much needed integration interfaces for both field experimentalists and ecosystem modelers to improve the model s representation of ecosystem processes within the CESM framework without large software overhead.

  8. Two Studies Reveal Details of Lithium-Battery Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Two Studies Reveal Details of Lithium-Battery Function Two Studies Reveal Details of Lithium-Battery Function Print Wednesday, 27 February 2013 00:00 Our way of life is deeply intertwined with battery technologies that have enabled a mobile revolution powering cell phones, laptops, medical devices, and cars. As conventional lithium-ion batteries approach their theoretical energy-storage limits, new technologies are emerging to address the long-term energy-storage improvements needed for mobile

  9. The nonsinglet structure function evolution by Laplace method

    SciTech Connect (OSTI)

    Boroun, G. R. E-mail: boroun@razi.ac.ir; Zarrin, S.

    2015-12-15

    We derive a general scheme for the evolution of the nonsinglet structure function at the leadingorder (LO) and next-to-leading-order (NLO) by using the Laplace-transform technique. Results for the nonsinglet structure function are compared with MSTW2008, GRV, and CKMT parameterizations and also EMC experimental data in the LO and NLO analysis. The results are in good agreement with the experimental data and other parameterizations in the low- and large-x regions.

  10. Self-Organizing Maps and Parton Distribution Functions

    SciTech Connect (OSTI)

    K. Holcomb, Simonetta Liuti, D. Z. Perry

    2011-05-01

    We present a new method to extract parton distribution functions from high energy experimental data based on a specific type of neural networks, the Self-Organizing Maps. We illustrate the features of our new procedure that are particularly useful for an anaysis directed at extracting generalized parton distributions from data. We show quantitative results of our initial analysis of the parton distribution functions from inclusive deep inelastic scattering.

  11. Multi-time wave functions for quantum field theory

    SciTech Connect (OSTI)

    Petrat, Sren; Tumulka, Roderich

    2014-06-15

    Multi-time wave functions such as ?(t{sub 1},x{sub 1},,t{sub N},x{sub N}) have one time variable t{sub j} for each particle. This type of wave function arises as a relativistic generalization of the wave function ?(t,x{sub 1},,x{sub N}) of non-relativistic quantum mechanics. We show here how a quantum field theory can be formulated in terms of multi-time wave functions. We mainly consider a particular quantum field theory that features particle creation and annihilation. Starting from the particleposition representation of state vectors in Fock space, we introduce multi-time wave functions with a variable number of time variables, set up multi-time evolution equations, and show that they are consistent. Moreover, we discuss the relation of the multi-time wave function to two other representations, the TomonagaSchwinger representation and the Heisenberg picture in terms of operator-valued fields on spacetime. In a certain sense and under natural assumptions, we find that all three representations are equivalent; yet, we point out that the multi-time formulation has several technical and conceptual advantages. -- Highlights: Multi-time wave functions are manifestly Lorentz-covariant objects. We develop consistent multi-time equations with interaction for quantum field theory. We discuss in detail a particular model with particle creation and annihilation. We show how multi-time wave functions are related to the TomonagaSchwinger approach. We show that they have a simple representation in terms of operator valued fields.

  12. Anatomic and Functional Imaging of Tagged Molecules in Animals - Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Innovation Portal Anatomic and Functional Imaging of Tagged Molecules in Animals Thomas Jefferson National Accelerator Facility Contact TJNAF About This Technology Technology Marketing SummaryA novel functional imaging system for use in the imaging of unrestrained and non-anesthetized small animals or other subjects and a method for acquiring such images and further registering them with anatomical X-ray images previously or subsequently acquired.DescriptionThe apparatus comprises a

  13. Modeling Feat Sheds Light on Protein Channel's Function

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Modeling Feat Sheds Light on Protein Channel's Function Modeling Feat Sheds Light on Protein Channel's Function November 1, 2012 NERSC Contact: Linda Vu, lvu@lbl.gov, +1 510 495 2402 nerscweb.png The ribosome (red-blue) in complex with the translocon channel (green), which is embedded in the cell membrane (yellow, white). Proteins that are inserted via the ribosome into the channel can either be laterally integrated into the cell membrane or secreted across the cell membrane (inset). (Image

  14. Structures for Three Membrane Transport Proteins Yield Functional Insights

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  15. Structures for Three Membrane Transport Proteins Yield Functional Insights

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  16. Structures for Three Membrane Transport Proteins Yield Functional Insights

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  17. Structures for Three Membrane Transport Proteins Yield Functional Insights

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Structures for Three Membrane Transport Proteins Yield Functional Insights Structures for Three Membrane Transport Proteins Yield Functional Insights Print Wednesday, 27 January 2010 00:00 Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is

  18. Pulse Thermal Processing of Functional Materials Using a Directed Plasma

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Arc - Energy Innovation Portal Early Stage R&D Early Stage R&D Advanced Materials Advanced Materials Find More Like This Return to Search Pulse Thermal Processing of Functional Materials Using a Directed Plasma Arc Oak Ridge National Laboratory Contact ORNL About This Technology Technology Marketing SummaryUsing pulses of high density infrared light from a directed plasma arc, ORNL researchers invented a method to thermally process thin films and other functional materials on

  19. Structure and Function of Microbial Metal-Reduction Proteins (Other) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Other: Structure and Function of Microbial Metal-Reduction Proteins Citation Details In-Document Search Title: Structure and Function of Microbial Metal-Reduction Proteins In this project, we proposed (i) identification of metal-reduction genes, (ii) development of new threading techniques and (iii) fold recognition and structure prediction of metal-reduction proteins. However, due to the reduction of the budget, we revised our plan to focus on two specific aims of (i)

  20. Deep Bed Adsorption Testing using Silver-Functionalized Aerogel (Technical

    Office of Scientific and Technical Information (OSTI)

    Report) | SciTech Connect Deep Bed Adsorption Testing using Silver-Functionalized Aerogel Citation Details In-Document Search Title: Deep Bed Adsorption Testing using Silver-Functionalized Aerogel Nuclear fission results in the production of fission products and activation products, some of which tend to be volatile during used fuel reprocessing and evolve in gaseous species into the reprocessing facility off-gas systems. Analyses have shown that I129, due to its radioactivity, high

  1. Structures for Three Membrane Transport Proteins Yield Functional Insights

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  2. Transversity and Collins Fragmentation Functions: Towards a New Global Analysis

    SciTech Connect (OSTI)

    Anselmino, M.; Boglione, M.; Melis, S.; Prokudin, A.; D'Alesio, U.; Kotzinian, A.; Murgia, F.

    2009-08-04

    We present an update of a previous global analysis of the experimental data on azimuthal asymmetries in semi-inclusive deep inelastic scattering (SIDIS), from the HERMES and COMPASS Collaborations, and in e{sup +}e{sup -}{yields}h{sub 1}h{sub 2}X processes, from the Belle Collaboration. Compared to the first extraction, a more precise determination of the Collins fragmentation function and the transversity distribution function for u and d quarks is obtained.

  3. Preface: Special Topic on Advances in Density Functional Theory

    SciTech Connect (OSTI)

    Yang, Weitao

    2014-05-14

    This Special Topic Issue on the Advances in Density Functional Theory, published as a celebration of the fifty years of density functional theory, contains a retrospective article, a perspective article, and a collection of original research articles that showcase recent theoretical advances in the field. It provides a timely discussion reflecting a cross section of our understanding, and the theoretical and computational developments, which have significant implications in broad areas of sciences and engineering.

  4. Functionally conserved enhancers with divergent sequences in distant vertebrates

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yang, Song; Oksenberg, Nir; Takayama, Sachiko; Heo, Seok -Jin; Poliakov, Alexander; Ahituv, Nadav; Dubchak, Inna; Boffelli, Dario

    2015-10-30

    To examine the contributions of sequence and function conservation in the evolution of enhancers, we systematically identified enhancers whose sequences are not conserved among distant groups of vertebrate species, but have homologous function and are likely to be derived from a common ancestral sequence. In conclusion, our approach combined comparative genomics and epigenomics to identify potential enhancer sequences in the genomes of three groups of distantly related vertebrate species.

  5. Stiffness and strength of oxygen-functionalized graphene with vacancies

    SciTech Connect (OSTI)

    Zandiatashbar, A.; Ban, E.; Picu, R. C.

    2014-11-14

    The 2D elastic modulus (E{sup 2D}) and strength (?{sup 2D}) of defective graphene sheets containing vacancies, epoxide, and hydroxyl functional groups are evaluated at 300?K by atomistic simulations. The fraction of vacancies is controlled in the range 0% to 5%, while the density of functional groups corresponds to O:C ratios in the range 0% to 25%. In-plane modulus and strength diagrams as functions of vacancy and functional group densities are generated using models with a single type of defect and with combinations of two types of defects (vacancies and functional groups). It is observed that in models containing only vacancies, the rate at which strength decreases with increasing the concentration of defects is largest, followed by models containing only epoxide groups and those with only hydroxyl groups. The effect on modulus of vacancies and epoxides present alone in the model is similar, and much stronger than that of hydroxyl groups. When the concentration of defects is large, the combined effect of the functional groups and vacancies cannot be obtained as the superposition of individual effects of the two types of defects. The elastic modulus deteriorates faster (slower) than predicted by superposition in systems containing vacancies and hydroxyl groups (vacancies and epoxide groups)

  6. Sexual Function in Males After Radiotherapy for Rectal Cancer

    SciTech Connect (OSTI)

    Bruheim, Kjersti, E-mail: Kjersti.bruheim@medisin.uio.n [Oslo University Hospital, Ulleval Cancer Centre, Oslo (Norway); Guren, Marianne G. [Oslo University Hospital, Ulleval Cancer Centre, Oslo (Norway); Dahl, Alv A. [Oslo University Hospital, Department of Clinical Cancer Research, the Norwegian Radium Hospital, Oslo (Norway); Faculty of Medicine, University of Oslo, Oslo (Norway); Skovlund, Eva [School of Pharmacy, University of Oslo, Oslo (Norway); Balteskard, Lise [University Hospital of Northern Norway, Tromso (Norway); Carlsen, Erik [Oslo University Hospital, Department of Gastrointestinal Surgery, Ulleval, Oslo (Norway); Fossa, Sophie D. [Oslo University Hospital, Department of Clinical Cancer Research, the Norwegian Radium Hospital, Oslo (Norway); Faculty of Medicine, University of Oslo, Oslo (Norway); Tveit, Kjell Magne [Oslo University Hospital, Ulleval Cancer Centre, Oslo (Norway); Faculty of Medicine, University of Oslo, Oslo (Norway)

    2010-03-15

    Purpose: Knowledge of sexual problems after pre- or postoperative radiotherapy (RT) with 50 Gy for rectal cancer is limited. In this study, we aimed to compare self-rated sexual functioning in irradiated (RT+) and nonirradiated (RT-) male patients at least 2 years after surgery for rectal cancer. Methods and Materials: Patients diagnosed with rectal cancer from 1993 to 2003 were identified from the Norwegian Rectal Cancer Registry. Male patients without recurrence at the time of the study. The International Index of Erectile Function, a self-rated instrument, was used to assess sexual functioning, and serum levels of serum testosterone were measured. Results: Questionnaires were returned from 241 patients a median of 4.5 years after surgery. The median age was 67 years at survey. RT+ patients (n = 108) had significantly poorer scores for erectile function, orgasmic function, intercourse satisfaction, and overall satisfaction with sex life compared with RT- patients (n = 133). In multiple age-adjusted analysis, the odds ratio for moderate-severe erectile dysfunction in RT+ patients was 7.3 compared with RT- patients (p <0.001). Furthermore, erectile dysfunction of this degree was associated with low serum testosterone (p = 0.01). Conclusion: RT for rectal cancer is associated with significant long-term effects on sexual function in males.

  7. Luminosity Function of Faint Globular Clusters in M87

    SciTech Connect (OSTI)

    Waters, Christopher Z.; Zepf, Stephen E.; Lauer, Tod R.; Baltz, Edward A.; Silk, Joseph; /Oxford U.

    2006-07-14

    We present the luminosity function to very faint magnitudes for the globular clusters in M87, based on a 30 orbit Hubble Space Telescope (HST) WFPC2 imaging program. The very deep images and corresponding improved false source rejection allow us to probe the mass function further beyond the turnover than has been done before. We compare our luminosity function to those that have been observed in the past, and confirm the similarity of the turnover luminosity between M87 and the Milky Way. We also find with high statistical significance that the M87 luminosity function is broader than that of the Milky Way. We discuss how determining the mass function of the cluster system to low masses can constrain theoretical models of the dynamical evolution of globular cluster systems. Our mass function is consistent with the dependence of mass loss on the initial cluster mass given by classical evaporation, and somewhat inconsistent with newer proposals that have a shallower mass dependence. In addition, the rate of mass loss is consistent with standard evaporation models, and not with the much higher rates proposed by some recent studies of very young cluster systems. We also find that the mass-size relation has very little slope, indicating that there is almost no increase in the size of a cluster with increasing mass.

  8. The unbundling and rebundling of transmission and market related functions

    SciTech Connect (OSTI)

    Woolf, F.

    1996-12-01

    If generation and transmission are to continue in common hands, transmission ownership must be separated from system operations, necessitating creation of the independent system operator. But this approach can only work if the ISO is truly and totally independent in its role as the gamekeeper of serious market competition and the rules of the game (covering all the ISO functions) are clearly established. In a world where generation, transmission and distribution are restructured or unbundled with the aim of introducing competition at a wholesale and retail level, a number of functions related to system operations must be performed in order to allow the chosen market structure to operate. These functions are the key to putting buyers and sellers together. Indeed, they encompass nearly everything that happens between the power station fence and the customer meter. There has been much analysis of these functions and the services that are derived from them, both in international restructuring and, over the last two years, in North America. In this article the author looks at how transmission and market-related functions have been unbundled and rebundled in an attempt to illustrate some of the factors that should drive decisions as to the optimum grouping of functions and which entities should provide them. In particular the author discusses the separation of transmission ownership from system operations, which is a particular feature of the North American scene in systems where corporate unbundling - i.e., divestiture - of generation and transmission is not being imposed.

  9. Anatomic and functional imaging of tagged molecules in animals

    DOE Patents [OSTI]

    Weisenberger, Andrew G.; Majewski, Stanislaw; Paulus, Michael J.; Gleason, Shaun S.

    2007-04-24

    A novel functional imaging system for use in the imaging of unrestrained and non-anesthetized small animals or other subjects and a method for acquiring such images and further registering them with anatomical X-ray images previously or subsequently acquired. The apparatus comprises a combination of an IR laser profilometry system and gamma, PET and/or SPECT, imaging system, all mounted on a rotating gantry, that permits simultaneous acquisition of positional and orientational information and functional images of an unrestrained subject that are registered, i.e. integrated, using image processing software to produce a functional image of the subject without the use of restraints or anesthesia. The functional image thus obtained can be registered with a previously or subsequently obtained X-ray CT image of the subject. The use of the system described herein permits functional imaging of a subject in an unrestrained/non-anesthetized condition thereby reducing the stress on the subject and eliminating any potential interference with the functional testing that such stress might induce.

  10. Practical auxiliary basis implementation of Rung 3.5 functionals

    SciTech Connect (OSTI)

    Janesko, Benjamin G.; Scalmani, Giovanni; Frisch, Michael J.

    2014-07-21

    Approximate exchange-correlation functionals for Kohn-Sham density functional theory often benefit from incorporating exact exchange. Exact exchange is constructed from the noninteracting reference system's nonlocal one-particle density matrix γ(r{sup -vector},r{sup -vector}′). Rung 3.5 functionals attempt to balance the strengths and limitations of exact exchange using a new ingredient, a projection of γ(r{sup -vector},r{sup -vector} ′) onto a semilocal model density matrix γ{sub SL}(ρ(r{sup -vector}),∇ρ(r{sup -vector}),r{sup -vector}−r{sup -vector} ′). γ{sub SL} depends on the electron density ρ(r{sup -vector}) at reference point r{sup -vector}, and is closely related to semilocal model exchange holes. We present a practical implementation of Rung 3.5 functionals, expanding the r{sup -vector}−r{sup -vector} ′ dependence of γ{sub SL} in an auxiliary basis set. Energies and energy derivatives are obtained from 3D numerical integration as in standard semilocal functionals. We also present numerical tests of a range of properties, including molecular thermochemistry and kinetics, geometries and vibrational frequencies, and bandgaps and excitation energies. Rung 3.5 functionals typically provide accuracy intermediate between semilocal and hybrid approximations. Nonlocal potential contributions from γ{sub SL} yield interesting successes and failures for band structures and excitation energies. The results enable and motivate continued exploration of Rung 3.5 functional forms.

  11. Computational aspects of the continuum quaternionic wave functions for hydrogen

    SciTech Connect (OSTI)

    Morais, J.

    2014-10-15

    Over the past few years considerable attention has been given to the role played by the Hydrogen Continuum Wave Functions (HCWFs) in quantum theory. The HCWFs arise via the method of separation of variables for the time-independent Schrödinger equation in spherical coordinates. The HCWFs are composed of products of a radial part involving associated Laguerre polynomials multiplied by exponential factors and an angular part that is the spherical harmonics. In the present paper we introduce the continuum wave functions for hydrogen within quaternionic analysis ((R)QHCWFs), a result which is not available in the existing literature. In particular, the underlying functions are of three real variables and take on either values in the reduced and full quaternions (identified, respectively, with R{sup 3} and R{sup 4}). We prove that the (R)QHCWFs are orthonormal to one another. The representation of these functions in terms of the HCWFs are explicitly given, from which several recurrence formulae for fast computer implementations can be derived. A summary of fundamental properties and further computation of the hydrogen-like atom transforms of the (R)QHCWFs are also discussed. We address all the above and explore some basic facts of the arising quaternionic function theory. As an application, we provide the reader with plot simulations that demonstrate the effectiveness of our approach. (R)QHCWFs are new in the literature and have some consequences that are now under investigation.

  12. Process management using component thermal-hydraulic function classes

    DOE Patents [OSTI]

    Morman, J.A.; Wei, T.Y.C.; Reifman, J.

    1999-07-27

    A process management expert system where following malfunctioning of a component, such as a pump, for determining system realignment procedures such as for by-passing the malfunctioning component with on-line speeds to maintain operation of the process at full or partial capacity or to provide safe shut down of the system while isolating the malfunctioning component. The expert system uses thermal-hydraulic function classes at the component level for analyzing unanticipated as well as anticipated component malfunctions to provide recommended sequences of operator actions. Each component is classified according to its thermal-hydraulic function, and the generic and component-specific characteristics for that function. Using the diagnosis of the malfunctioning component and its thermal hydraulic class, the expert system analysis is carried out using generic thermal-hydraulic first principles. One aspect of the invention employs a qualitative physics-based forward search directed primarily downstream from the malfunctioning component in combination with a subsequent backward search directed primarily upstream from the serviced component. Generic classes of components are defined in the knowledge base according to the three thermal-hydraulic functions of mass, momentum and energy transfer and are used to determine possible realignment of component configurations in response to thermal-hydraulic function imbalance caused by the malfunctioning component. Each realignment to a new configuration produces the accompanying sequence of recommended operator actions. All possible new configurations are examined and a prioritized list of acceptable solutions is produced. 5 figs.

  13. Process management using component thermal-hydraulic function classes

    DOE Patents [OSTI]

    Morman, James A.; Wei, Thomas Y. C.; Reifman, Jaques

    1999-01-01

    A process management expert system where following malfunctioning of a component, such as a pump, for determining system realignment procedures such as for by-passing the malfunctioning component with on-line speeds to maintain operation of the process at full or partial capacity or to provide safe shut down of the system while isolating the malfunctioning component. The expert system uses thermal-hydraulic function classes at the component level for analyzing unanticipated as well as anticipated component malfunctions to provide recommended sequences of operator actions. Each component is classified according to its thermal-hydraulic function, and the generic and component-specific characteristics for that function. Using the diagnosis of the malfunctioning component and its thermal hydraulic class, the expert system analysis is carried out using generic thermal-hydraulic first principles. One aspect of the invention employs a qualitative physics-based forward search directed primarily downstream from the malfunctioning component in combination with a subsequent backward search directed primarily upstream from the serviced component. Generic classes of components are defined in the knowledge base according to the three thermal-hydraulic functions of mass, momentum and energy transfer and are used to determine possible realignment of component configurations in response to thermal-hydraulic function imbalance caused by the malfunctioning component. Each realignment to a new configuration produces the accompanying sequence of recommended operator actions. All possible new configurations are examined and a prioritized list of acceptable solutions is produced.

  14. Resizing the conformal window: A {beta}-function ansatz

    SciTech Connect (OSTI)

    Antipin, O.; Tuominen, K.

    2010-04-01

    We propose an ansatz for the nonperturbative beta-function of a generic nonsupersymmetric Yang-Mills theory with or without fermions in an arbitrary representation of the gauge group. While our construction is similar to the recently proposed Ryttov-Sannino all-order beta-function, the essential difference is that it allows for the existence of an unstable ultraviolet fixed point in addition to the predicted Banks-Zaks-like infrared stable fixed point. Our beta-function preserves all of the tested features with respect to the nonsupersymmetric Yang-Mills theories. We predict the conformal window identifying the lower end of it as a merger of the infrared and ultraviolet fixed points.

  15. Quark mass functions and pion structure in Minkowski space

    SciTech Connect (OSTI)

    Biernat, Elmer P.; Gross, Franz L.; Pena, Maria Teresa; Stadler, Alfred

    2014-03-01

    We present a study of the dressed quark mass function and the pion structure in Minkowski space using the Covariant Spectator Theory (CST). The quark propagators are dressed with the same kernel that describes the interaction between different quarks. We use an interaction kernel in momentum space that is a relativistic generalization of the linear confining q-qbar potential and a constant potential shift that defines the energy scale. The confining interaction has a Lorentz scalar part that is not chirally invariant by itself but decouples from the equations in the chiral limit and therefore allows the Nambu--Jona-Lasinio (NJL) mechanism to work. We adjust the parameters of our quark mass function calculated in Minkowski-space to agree with LQCD data obtained in Euclidean space. Results of a calculation of the pion electromagnetic form factor in the relativistic impulse approximation using the same mass function are presented and compared with experimental data.

  16. Assigning protein functions by comparative genome analysis protein phylogenetic profiles

    DOE Patents [OSTI]

    Pellegrini, Matteo; Marcotte, Edward M.; Thompson, Michael J.; Eisenberg, David; Grothe, Robert; Yeates, Todd O.

    2003-05-13

    A computational method system, and computer program are provided for inferring functional links from genome sequences. One method is based on the observation that some pairs of proteins A' and B' have homologs in another organism fused into a single protein chain AB. A trans-genome comparison of sequences can reveal these AB sequences, which are Rosetta Stone sequences because they decipher an interaction between A' and B. Another method compares the genomic sequence of two or more organisms to create a phylogenetic profile for each protein indicating its presence or absence across all the genomes. The profile provides information regarding functional links between different families of proteins. In yet another method a combination of the above two methods is used to predict functional links.

  17. Determining protein function and interaction from genome analysis

    DOE Patents [OSTI]

    Eisenberg, David; Marcotte, Edward M.; Thompson, Michael J.; Pellegrini, Matteo; Yeates, Todd O.

    2004-08-03

    A computational method system, and computer program are provided for inferring functional links from genome sequences. One method is based on the observation that some pairs of proteins A' and B' have homologs in another organism fused into a single protein chain AB. A trans-genome comparison of sequences can reveal these AB sequences, which are Rosetta Stone sequences because they decipher an interaction between A' and B. Another method compares the genomic sequence of two or more organisms to create a phylogenetic profile for each protein indicating its presence or absence across all the genomes. The profile provides information regarding functional links between different families of proteins. In yet another method a combination of the above two methods is used to predict functional links.

  18. Spin projection with double hybrid density functional theory

    SciTech Connect (OSTI)

    Thompson, Lee M.; Hratchian, Hrant P.

    2014-07-21

    A spin projected double-hybrid density functional theory is presented that accounts for different scaling of opposite and same spin terms in the second order correction. This method is applied to three dissociation reactions which in the unprojected formalism exhibit significant spin contamination with higher spin states. This gives rise to a distorted potential surface and can lead to poor geometries and energies. The projected method presented is shown to improve the description of the potential over unprojected double hybrid density functional theory. Comparison is made with the reference states of the two double hybrid functionals considered here (B2PLYP and mPW2PLYP) in which the projected potential surface is degraded by an imbalance in the description of dynamic and static correlation.

  19. Elastic properties of protein functionalized nanoporous polymer films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Charles T. Black; Wang, Haoyu; Akcora, Pinar

    2015-12-16

    Retaining the conformational structure and bioactivity of immobilized proteins is important for biosensor designs and drug delivery systems. Confined environments often lead to changes in conformation and functions of proteins. In this study, lysozyme is chemically tethered into nanopores of polystyrene thin films, and submicron pores in poly(methyl methacrylate) films are functionalized with streptavidin. Nanoindentation experiments show that stiffness of streptavidin increases with decreasing submicron pore sizes. Lysozymes in polystyrene nanopores are found to behave stiffer than the submicron pore sizes and still retain their specific bioactivity relative to the proteins on flat surfaces. Lastly, our results show that proteinmore » functionalized ordered nanoporous polystyrene/poly(methyl methacrylate) films present heterogeneous elasticity and can be used to study interactions between free proteins and designed surfaces.« less

  20. Elastic properties of protein functionalized nanoporous polymer films

    SciTech Connect (OSTI)

    Charles T. Black; Wang, Haoyu; Akcora, Pinar

    2015-12-16

    Retaining the conformational structure and bioactivity of immobilized proteins is important for biosensor designs and drug delivery systems. Confined environments often lead to changes in conformation and functions of proteins. In this study, lysozyme is chemically tethered into nanopores of polystyrene thin films, and submicron pores in poly(methyl methacrylate) films are functionalized with streptavidin. Nanoindentation experiments show that stiffness of streptavidin increases with decreasing submicron pore sizes. Lysozymes in polystyrene nanopores are found to behave stiffer than the submicron pore sizes and still retain their specific bioactivity relative to the proteins on flat surfaces. Lastly, our results show that protein functionalized ordered nanoporous polystyrene/poly(methyl methacrylate) films present heterogeneous elasticity and can be used to study interactions between free proteins and designed surfaces.