National Library of Energy BETA

Sample records for large binding energy

  1. Sean Large | Department of Energy

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

    Sean Large Sean Large Sean Large - Intern with the Office of Energy Efficiency and Renewable Energy Most Recent Be Part of the Solution! June 22 What's Up With Fuel Cells? June 8

  2. Large Energy Users Program

    Broader source: Energy.gov [DOE]

    The program is administered by the NJ Board of Public Utilities and is under management by TRC Energy Solutions.

  3. Exciton binding energy in semiconductor quantum dots

    SciTech Connect (OSTI)

    Pokutnii, S. I.

    2010-04-15

    In the adiabatic approximation in the context of the modified effective mass approach, in which the reduced exciton effective mass {mu} = {mu}(a) is a function of the radius a of the semiconductor quantum dot, an expression for the exciton binding energy E{sub ex}(a) in the quantum dot is derived. It is found that, in the CdSe and CdS quantum dots with the radii a comparable to the Bohr exciton radii a{sub ex}, the exciton binding energy E{sub ex}(a) is substantially (respectively, 7.4 and 4.5 times) higher than the exciton binding energy in the CdSe and CdS single crystals.

  4. Large-Scale Renewable Energy Guide: Developing Renewable Energy...

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

    Large-Scale Renewable Energy Guide: Developing Renewable Energy Projects Larger Than 10 MWs at Federal Facilities Large-Scale Renewable Energy Guide: Developing Renewable Energy ...

  5. Large-Scale Renewable Energy Guide | Department of Energy

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

    Large-Scale Renewable Energy Guide Large-Scale Renewable Energy Guide Presentation covers the Large-scale RE Guide: Developing Renewable Energy Projects Larger than 10 MWs at...

  6. Binding Organic Liquids - Energy Innovation Portal

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

    More Like This Return to Search Binding Organic Liquids Pacific Northwest National Laboratory Contact PNNL About This Technology Technology Marketing Summary Researchers at...

  7. Large-Scale Renewable Energy Guide Webinar

    Broader source: Energy.gov [DOE]

    Webinar introduces the “Large Scale Renewable Energy Guide." The webinar will provide an overview of this important FEMP guide, which describes FEMP's approach to large-scale renewable energy projects and provides guidance to Federal agencies and the private sector on how to develop a common process for large-scale renewable projects.

  8. Large-Scale Federal Renewable Energy Projects | Department of Energy

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

    Large-Scale Federal Renewable Energy Projects Large-Scale Federal Renewable Energy Projects Renewable energy projects larger than 10 megawatts (MW), also known as utility-scale projects, are complex and typically require private-sector financing. The Federal Energy Management Program (FEMP) developed a guide to help federal agencies, and the developers and financiers that work with them, to successfully install these projects at federal facilities. FEMP's Large-Scale Renewable Energy Guide,

  9. Linear Scaling of the Exciton Binding Energy versus the Band...

    Office of Scientific and Technical Information (OSTI)

    Linear Scaling of the Exciton Binding Energy versus the Band Gap of Two-Dimensional Materials This content will become publicly available on August 6, 2016 Prev Next Title:...

  10. LARGE INDUSTRIAL FACILITIES BY STATE | Department of Energy

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

    LARGE INDUSTRIAL FACILITIES BY STATE LARGE INDUSTRIAL FACILITIES BY STATE PDF icon Number of Large Energy User Manufacturing Facilities by Sector and State (with Industrial Energy...

  11. Batteries for Large Scale Energy Storage

    SciTech Connect (OSTI)

    Soloveichik, Grigorii L.

    2011-07-15

    In recent years, with the deployment of renewable energy sources, advances in electrified transportation, and development in smart grids, the markets for large-scale stationary energy storage have grown rapidly. Electrochemical energy storage methods are strong candidate solutions due to their high energy density, flexibility, and scalability. This review provides an overview of mature and emerging technologies for secondary and redox flow batteries. New developments in the chemistry of secondary and flow batteries as well as regenerative fuel cells are also considered. Advantages and disadvantages of current and prospective electrochemical energy storage options are discussed. The most promising technologies in the short term are high-temperature sodium batteries with β”-alumina electrolyte, lithium-ion batteries, and flow batteries. Regenerative fuel cells and lithium metal batteries with high energy density require further research to become practical.

  12. Orientation-dependent binding energy of graphene on palladium

    SciTech Connect (OSTI)

    Kappes, Branden B.; Ebnonnasir, Abbas; Ciobanu, Cristian V. [Department of Mechanical Engineering and Materials Science Program, Colorado School of Mines, Golden, Colorado 80401 (United States)] [Department of Mechanical Engineering and Materials Science Program, Colorado School of Mines, Golden, Colorado 80401 (United States); Kodambaka, Suneel [Department of Materials Science and Engineering, University of California, Los Angeles, Los Angeles, California 90095 (United States)] [Department of Materials Science and Engineering, University of California, Los Angeles, Los Angeles, California 90095 (United States)

    2013-02-04

    Using density functional theory calculations, we show that the binding strength of a graphene monolayer on Pd(111) can vary between physisorption and chemisorption depending on its orientation. By studying the interfacial charge transfer, we have identified a specific four-atom carbon cluster that is responsible for the local bonding of graphene to Pd(111). The areal density of such clusters varies with the in-plane orientation of graphene, causing the binding energy to change accordingly. Similar investigations can also apply to other metal substrates and suggests that physical, chemical, and mechanical properties of graphene may be controlled by changing its orientation.

  13. Accurate nuclear radii and binding energies from a chiral interaction

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

    Ekstrom, Jan A.; Jansen, G. R.; Wendt, Kyle A.; Hagen, Gaute; Papenbrock, Thomas F.; Carlsson, Boris; Forssen, Christian; Hjorth-Jensen, M.; Navratil, Petr; Nazarewicz, Witold

    2015-05-01

    With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to 40Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective Jπ=3- states in 16O and 40Ca are described accurately, while spectra for selected p- and sd-shellmore » nuclei are in reasonable agreement with experiment.« less

  14. Accurate nuclear radii and binding energies from a chiral interaction

    SciTech Connect (OSTI)

    Ekstrom, Jan A.; Jansen, G. R.; Wendt, Kyle A.; Hagen, Gaute; Papenbrock, Thomas F.; Carlsson, Boris; Forssen, Christian; Hjorth-Jensen, M.; Navratil, Petr; Nazarewicz, Witold

    2015-05-01

    With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to 40Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective Jπ=3− states in 16O and 40Ca are described accurately, while spectra for selected p- and sd-shell nuclei are in reasonable agreement with experiment.

  15. EM Active Sites (large) | Department of Energy

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

    Active Sites (large) EM Active Sites (large) Center

  16. Large Higgs energy region in Higgs associated top pair production...

    Office of Scientific and Technical Information (OSTI)

    Large Higgs energy region in Higgs associated top pair production at the Linear Collider Citation Details In-Document Search Title: Large Higgs energy region in Higgs associated ...

  17. Large-Scale Residential Energy Efficiency Programs Based on CFLs...

    Open Energy Info (EERE)

    Large-Scale Residential Energy Efficiency Programs Based on CFLs Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Large-Scale Residential Energy Efficiency Programs Based...

  18. Sandia Energy - Large Eddy Simulation (LES) of Engines

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

    Large Eddy Simulation (LES) of Engines Home Transportation Energy Predictive Simulation of Engines Engine Combustion Modeling Large Eddy Simulation (LES) of Engines Large Eddy...

  19. Number of Large Energy User Manufacturing Facilities by Sector...

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

    Number of Large Energy User Manufacturing Facilities by Sector and State (with Industrial Energy Consumption by State and Manufacturing Energy Consumption by Sector) State...

  20. LARGE INDUSTRIAL FACILITIES BY STATE | Department of Energy

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

    Number of Large Energy User Manufacturing Facilities by Sector and State (with Industrial Energy Consumption by State and Manufacturing Energy Consumption by Sector) More Documents ...

  1. Montana's At-large congressional district: Energy Resources ...

    Open Energy Info (EERE)

    Registered Research Institutions in Montana's At-large congressional district Big Sky Carbon Sequestration Partnership Registered Energy Companies in Montana's At-large...

  2. FEMP Helps Federal Facilities Develop Large-Scale Renewable Energy...

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

    jobs, and advancing national goals for energy security. The guide describes the fundamentals of deploying financially attractive, large-scale renewable energy projects and...

  3. Panel 1, Towards Sustainable Energy Systems: The Role of Large...

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

    Towards sustainable energy systems - The role of large scale hydrogen storage in Germany May 14th, 2014 | ... Three reasons why it is inevitable to change the energy system ...

  4. Development of Large Format Lithium Ion Cells with Higher Energy...

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

    Large Format Lithium Ion Cells with Higher Energy Density Exceeding 500WhL Development of Large Format Lithium Ion Cells with Higher Energy Density Exceeding 500WhL 2012 DOE ...

  5. Locations of Smart Grid Demonstration and Large-Scale Energy...

    Office of Environmental Management (EM)

    Locations of Smart Grid Demonstration and Large-Scale Energy Storage Projects Locations of Smart Grid Demonstration and Large-Scale Energy Storage Projects Map of the United States ...

  6. Calculation of positron binding energies using the generalized any particle propagator theory

    SciTech Connect (OSTI)

    Romero, Jonathan; Charry, Jorge A.; Flores-Moreno, Roberto; Varella, Mrcio T. do N.; Reyes, Andrs

    2014-09-21

    We recently extended the electron propagator theory to any type of quantum species based in the framework of the Any-Particle Molecular Orbital (APMO) approach [J. Romero, E. Posada, R. Flores-Moreno, and A. Reyes, J. Chem. Phys. 137, 074105 (2012)]. The generalized any particle molecular orbital propagator theory (APMO/PT) was implemented in its quasiparticle second order version in the LOWDIN code and was applied to calculate nuclear quantum effects in electron binding energies and proton binding energies in molecular systems [M. Daz-Tinoco, J. Romero, J. V. Ortiz, A. Reyes, and R. Flores-Moreno, J. Chem. Phys. 138, 194108 (2013)]. In this work, we present the derivation of third order quasiparticle APMO/PT methods and we apply them to calculate positron binding energies (PBEs) of atoms and molecules. We calculated the PBEs of anions and some diatomic molecules using the second order, third order, and renormalized third order quasiparticle APMO/PT approaches and compared our results with those previously calculated employing configuration interaction (CI), explicitly correlated and quantum Montecarlo methodologies. We found that renormalized APMO/PT methods can achieve accuracies of ?0.35 eV for anionic systems, compared to Full-CI results, and provide a quantitative description of positron binding to anionic and highly polar species. Third order APMO/PT approaches display considerable potential to study positron binding to large molecules because of the fifth power scaling with respect to the number of basis sets. In this regard, we present additional PBE calculations of some small polar organic molecules, amino acids and DNA nucleobases. We complement our numerical assessment with formal and numerical analyses of the treatment of electron-positron correlation within the quasiparticle propagator approach.

  7. Energy storage device with large charge separation

    DOE Patents [OSTI]

    Holme, Timothy P.; Prinz, Friedrich B.; Iancu, Andrei

    2016-04-12

    High density energy storage in semiconductor devices is provided. There are two main aspects of the present approach. The first aspect is to provide high density energy storage in semiconductor devices based on formation of a plasma in the semiconductor. The second aspect is to provide high density energy storage based on charge separation in a p-n junction.

  8. BPA FINAL Binding Arbitration policy | Department of Energy

    Office of Environmental Management (EM)

    BPA FINAL Binding Arbitration policy BPA FINAL Binding Arbitration policy Alternative dispute resolution (ADR) encompasses a variety of methods that parties may use to resolve disputes without litigation. Arbitration is a private, less formal process in which parties agree to submit a dispute to one or more impartial arbitrators who then render a decision or award. In non-binding arbitration a party is not required to accept the arbitrator's decision. In contrast, a decision or award in binding

  9. Large Scale Production Computing and Storage Requirements for Fusion Energy

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

    Sciences: Target 2017 Large Scale Production Computing and Storage Requirements for Fusion Energy Sciences: Target 2017 The NERSC Program Requirements Review "Large Scale Production Computing and Storage Requirements for Fusion Energy Sciences" is organized by the Department of Energy's Office of Fusion Energy Sciences (FES), Office of Advanced Scientific Computing Research (ASCR), and the National Energy Research Scientific Computing Center (NERSC). The review's goal is to

  10. Large Scale Production Computing and Storage Requirements for High Energy

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

    Physics: Target 2017 Large Scale Production Computing and Storage Requirements for High Energy Physics: Target 2017 HEPlogo.jpg The NERSC Program Requirements Review "Large Scale Computing and Storage Requirements for High Energy Physics" is organized by the Department of Energy's Office of High Energy Physics (HEP), Office of Advanced Scientific Computing Research (ASCR), and the National Energy Research Scientific Computing Center (NERSC). The review's goal is to characterize

  11. Energy Department Applauds Nation's First Large-Scale Industrial Carbon

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

    Capture and Storage Facility | Department of Energy Nation's First Large-Scale Industrial Carbon Capture and Storage Facility Energy Department Applauds Nation's First Large-Scale Industrial Carbon Capture and Storage Facility August 24, 2011 - 6:23pm Addthis Washington, D.C. - The U.S. Department of Energy issued the following statement in support of today's groundbreaking for construction of the nation's first large-scale industrial carbon capture and storage (ICCS) facility in Decatur,

  12. Large Scale Computing and Storage Requirements for High Energy Physics

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

    Large Scale Computing and Storage Requirements for High Energy Physics HEPFrontcover.png Large Scale Computing and Storage Requirements for High Energy Physics An HEP / ASCR / NERSC Workshop November 12-13, 2009 Report Large Scale Computing and Storage Requirements for High Energy Physics, Report of the Joint HEP / ASCR / NERSC Workshop conducted Nov. 12-13, 2009 https://www.nersc.gov/assets/HPC-Requirements-for-Science/HEPFrontcover.png Goals This workshop was organized by the Department of

  13. Large Campus Innovative Change Initiative | Department of Energy

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

    laws and requirements, maintain their missions, and manage large facility portfolios. ... focus on multiple, often conflicting, missions Campus energy and water metering ...

  14. Optimizing Cluster Heads for Energy Efficiency in Large-Scale...

    Office of Scientific and Technical Information (OSTI)

    clustering is generally considered as an efficient and scalable way to facilitate the management and operation of such large-scale networks and minimize the total energy...

  15. Strategies to Finance Large-Scale Deployment of Renewable Energy...

    Open Energy Info (EERE)

    to Finance Large-Scale Deployment of Renewable Energy Projects: An Economic Development and Infrastructure Approach Jump to: navigation, search Tool Summary LAUNCH TOOL Name:...

  16. South Dakota's At-large congressional district: Energy Resources...

    Open Energy Info (EERE)

    At-large congressional district Black Hills Corporation Broin Associates Broin Enterprises Capitaline Advisors LLC Dakota Ethanol Deadwood Biofuels LLC Kramer Energy Group...

  17. Optimizing Cluster Heads for Energy Efficiency in Large-Scale...

    Office of Scientific and Technical Information (OSTI)

    Optimizing Cluster Heads for Energy Efficiency in Large-Scale Heterogeneous Wireless Sensor Networks Gu, Yi; Wu, Qishi; Rao, Nageswara S. V. Hindawi Publishing Corporation None...

  18. Large-Eddy Simulation for Green Energy and Propulsion Systems...

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

    Large-Eddy Simulation for Green Energy and Propulsion Systems PI Name: Umesh Paliath PI Email: paliath@ge.com Institution: General Electric Allocation Program: INCITE Allocation ...

  19. Large Hospital 50% Energy Savings: Technical Support Document

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

    867 September 2010 Large Hospital 50% Energy Savings: Technical Support Document Eric Bonnema, Daniel Studer, Andrew Parker, Shanti Pless, and Paul Torcellini National Renewable Energy Laboratory 1617 Cole Boulevard, Golden, Colorado 80401-3393 303-275-3000 * www.nrel.gov NREL is a national laboratory of the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Operated by the Alliance for Sustainable Energy, LLC Contract No. DE-AC36-08-GO28308 Technical Report

  20. Nuclear binding energy and symmetry energy of nuclear matter with modern nucleon-nucleon potentials

    SciTech Connect (OSTI)

    Hassaneen, Kh.S.A.; Abo-Elsebaa, H.M.; Sultan, E.A.; Mansour, H.M.M.

    2011-03-15

    Research Highlights: > The nuclear matter is studied within the Brueckner-Hartree-Fock (BHF) approach employing the most recent accurate nucleon-nucleon potentials. > The results come out by approximating the single particle self-consistent potential with a parabolic form. > We discuss the current status of the Coester line, i.e., density and energy of the various saturation points being strongly linearly correlated. > The nuclear symmetry energy is calculated as the difference between the binding energy of pure neutron matter and that of symmetric nuclear matter. - Abstract: The binding energy of nuclear matter at zero temperature in the Brueckner-Hartree-Fock approximation with modern nucleon-nucleon potentials is studied. Both the standard and continuous choices of single particle energies are used. These modern nucleon-nucleon potentials fit the deuteron properties and are phase shifts equivalent. Comparison with other calculations is made. In addition we present results for the symmetry energy obtained with different potentials, which is of great importance in astrophysical calculation.

  1. Large Scale Computing and Storage Requirements for Basic Energy Sciences:

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

    Target 2014 Large Scale Computing and Storage Requirements for Basic Energy Sciences: Target 2014 BESFrontcover.png Final Report Large Scale Computing and Storage Requirements for Basic Energy Sciences, Report of the Joint BES/ ASCR / NERSC Workshop conducted February 9-10, 2010 Workshop Agenda The agenda for this workshop is presented here: including presentation times and speaker information. Read More » Workshop Presentations Large Scale Computing and Storage Requirements for Basic

  2. Energy Department Accepting Small Business Grant Applications for Large

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

    Wind Turbines | Department of Energy Accepting Small Business Grant Applications for Large Wind Turbines Energy Department Accepting Small Business Grant Applications for Large Wind Turbines November 26, 2014 - 2:55pm Addthis The Energy Department began accepting applications on November 24 for its FY 2015 Phase 1 grant topics, including a Wind Program topic, under the Small Business Innovation Research (SBIR) and Small Business Technology Transfer (STTR) programs. SBIR/STTR grants are

  3. Large Scale Computing and Storage Requirements for Fusion Energy Sciences:

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

    Target 2014 High Energy Physics (HEP) Nuclear Physics (NP) Overview Published Reports Case Study FAQs NERSC HPC Achievement Awards Share Your Research User Submitted Research Citations NERSC Citations Home » Science at NERSC » HPC Requirements Reviews » Requirements Reviews: Target 2014 » Fusion Energy Sciences (FES) Large Scale Computing and Storage Requirements for Fusion Energy Sciences: Target 2014 FESFrontcover.png An FES / ASCR / NERSC Workshop August 3-4, 2010 Final Report Large

  4. Large Hospital 50% Energy Savings: Technical Support Document

    SciTech Connect (OSTI)

    Bonnema, E.; Studer, D.; Parker, A.; Pless, S.; Torcellini, P.

    2010-09-01

    This Technical Support Document documents the technical analysis and design guidance for large hospitals to achieve whole-building energy savings of at least 50% over ANSI/ASHRAE/IESNA Standard 90.1-2004 and represents a step toward determining how to provide design guidance for aggressive energy savings targets. This report documents the modeling methods used to demonstrate that the design recommendations meet or exceed the 50% goal. EnergyPlus was used to model the predicted energy performance of the baseline and low-energy buildings to verify that 50% energy savings are achievable. Percent energy savings are based on a nominal minimally code-compliant building and whole-building, net site energy use intensity. The report defines architectural-program characteristics for typical large hospitals, thereby defining a prototype model; creates baseline energy models for each climate zone that are elaborations of the prototype models and are minimally compliant with Standard 90.1-2004; creates a list of energy design measures that can be applied to the prototype model to create low-energy models; uses industry feedback to strengthen inputs for baseline energy models and energy design measures; and simulates low-energy models for each climate zone to show that when the energy design measures are applied to the prototype model, 50% energy savings (or more) are achieved.

  5. Large Scale Production Computing and Storage Requirements for Basic Energy

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

    Sciences: Target 2017 Large Scale Production Computing and Storage Requirements for Basic Energy Sciences: Target 2017 BES-Montage.png This is an invitation-only review organized by the Department of Energy's Office of Basic Energy Sciences (BES), Office of Advanced Scientific Computing Research (ASCR), and the National Energy Research Scientific Computing Center (NERSC). The goal is to determine production high-performance computing, storage, and services that will be needed for BES to

  6. COLLOQUIUM: Liquid Metal Batteries for Large-scale Energy Storage...

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

    June 22, 2016, 4:15pm to 5:30pm Colloquia MBG Auditorium, PPPL (284 cap.) COLLOQUIUM: Liquid Metal Batteries for Large-scale Energy Storage Dr. Hojong Kim Pennsylvania State ...

  7. Energy Characteristics and Energy Consumed in Large Hospital Buildings in

    Gasoline and Diesel Fuel Update (EIA)

    Information Administration Petprod - U.S. Energy Information Administration (EIA) U.S. Energy Information Administration - EIA - Independent Statistics and Analysis Sources & Uses Petroleum & Other Liquids Crude oil, gasoline, heating oil, diesel, propane, and other liquids including biofuels and natural gas liquids. Natural Gas Exploration and reserves, storage, imports and exports, production, prices, sales. Electricity Sales, revenue and prices, power plants, fuel use, stocks,

  8. Assessment of Vehicle Sizing, Energy Consumption and Cost through Large

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

    Scale Simulation of Advanced Vehicle Technologies | Argonne National Laboratory Assessment of Vehicle Sizing, Energy Consumption and Cost through Large Scale Simulation of Advanced Vehicle Technologies Title Assessment of Vehicle Sizing, Energy Consumption and Cost through Large Scale Simulation of Advanced Vehicle Technologies Publication Type Report Year of Publication 2016 Authors Moawad, A, Kim, N, Shidore, N, Rousseau, A Institution Argonne National Laboratory City Argonne, IL USA

  9. Use of incomplete energy recovery for the energy compression of large energy spread charged particle beams

    DOE Patents [OSTI]

    Douglas, David R.; Benson, Stephen V.

    2007-01-23

    A method of energy recovery for RF-base linear charged particle accelerators that allows energy recovery without large relative momentum spread of the particle beam involving first accelerating a waveform particle beam having a crest and a centroid with an injection energy E.sub.o with the centroid of the particle beam at a phase offset f.sub.o from the crest of the accelerating waveform to an energy E.sub.full and then recovering the beam energy centroid a phase f.sub.o+Df relative to the crest of the waveform particle beam such that (E.sub.full-E.sub.o)(1+cos(f.sub.o+Df))>dE/2 wherein dE=the full energy spread, dE/2=the full energy half spread and Df=the wave form phase distance.

  10. Quantum Monte Carlo calculation of the binding energy of the beryllium dimer

    SciTech Connect (OSTI)

    Deible, Michael J.; Kessler, Melody; Gasperich, Kevin E.; Jordan, Kenneth D.

    2015-08-28

    The accurate calculation of the binding energy of the beryllium dimer is a challenging theoretical problem. In this study, the binding energy of Be{sub 2} is calculated using the diffusion Monte Carlo (DMC) method, using single Slater determinant and multiconfigurational trial functions. DMC calculations using single-determinant trial wave functions of orbitals obtained from density functional theory calculations overestimate the binding energy, while DMC calculations using Hartree-Fock or CAS(4,8), complete active space trial functions significantly underestimate the binding energy. In order to obtain an accurate value of the binding energy of Be{sub 2} from DMC calculations, it is necessary to employ trial functions that include excitations outside the valence space. Our best estimate DMC result for the binding energy of Be{sub 2}, obtained by using configuration interaction trial functions and extrapolating in the threshold for the configurations retained in the trial function, is 908 cm{sup −1}, only slightly below the 935 cm{sup −1} value derived from experiment.

  11. Large-Scale Hydropower Basics | Department of Energy

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

    Renewable Energy » Hydropower » Large-Scale Hydropower Basics Large-Scale Hydropower Basics August 14, 2013 - 3:11pm Addthis Large-scale hydropower plants are generally developed to produce electricity for government or electric utility projects. These plants are more than 30 megawatts (MW) in size, and there is more than 80,000 MW of installed generation capacity in the United States today. Most large-scale hydropower projects use a dam and a reservoir to retain water from a river. When the

  12. Electrochemical cells for medium- and large-scale energy storage

    SciTech Connect (OSTI)

    Wang, Wei; Wei, Xiaoliang; Choi, Daiwon; Lu, Xiaochuan; Yang, G.; Sun, C.

    2014-12-12

    This is one of the chapters in the book titled “Advances in batteries for large- and medium-scale energy storage: Applications in power systems and electric vehicles” that will be published by the Woodhead Publishing Limited. The chapter discusses the basic electrochemical fundamentals of electrochemical energy storage devices with a focus on the rechargeable batteries. Several practical secondary battery systems are also discussed as examples

  13. Reducing Data Center Loads for a Large-scale, Low Energy Office...

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

    Data Center Loads for a Large- scale, Low-energy Office Building: NREL's Research Support ... National Renewable Energy Laboratory Reducing Data Center Loads for a Large-Scale, ...

  14. SOLTES: simulator of large thermal energy systems (Conference...

    Office of Scientific and Technical Information (OSTI)

    energy, fossil-fired power plantstotal energy, nuclear-fired power plantstotal energy, solar energy heating and cooling, geothermal energy, and solar hot water, are discussed. ...

  15. Presentation on the Large-Scale Renewable Energy Guide | Department of

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

    Energy Presentation on the Large-Scale Renewable Energy Guide Presentation on the Large-Scale Renewable Energy Guide Presentation covers the Large-Scale RE Guide: Developing Renewable Energy Projects Larger than 10 MWs at Federal Facilities for the FUPWG Spring meeting, held on May 22, 2013, in San Francisco, California. Download FEMP's Large-Scale Renewable Energy Guide - Presented by Brad Gustafson (1.75 MB) More Documents & Publications Large-Scale Federal Renewable Energy Projects

  16. Large-Scale Renewable Energy Guide: Developing Renewable Energy Projects Larger Than 10 MWs at Federal Facilities

    Broader source: Energy.gov [DOE]

    The Large-Scale Renewable Energy Guide: Developing Renewable Energy Projects Larger Than 10 MWs at Federal Facilities provides best practices and other helpful guidance for federal agencies developing large-scale renewable energy projects.

  17. Communication: Towards the binding energy and vibrational red shift of the simplest organic hydrogen bond: Harmonic constraints for methanol dimer

    SciTech Connect (OSTI)

    Heger, Matthias; Suhm, Martin A.; Mata, Ricardo A.

    2014-09-14

    The discrepancy between experimental and harmonically predicted shifts of the OH stretching fundamental of methanol upon hydrogen bonding to a second methanol unit is too large to be blamed mostly on diagonal and off-diagonal anharmonicity corrections. It is shown that a decisive contribution comes from post-MP2 electron correlation effects, which appear not to be captured by any of the popular density functionals. We also identify that the major deficiency is in the description of the donor OH bond. Together with estimates for the electronic and harmonically zero-point corrected dimer binding energies, this work provides essential constraints for a quantitative description of this simple hydrogen bond. The spectroscopic dissociation energy is predicted to be larger than 18 kJ/mol and the harmonic OH-stretching fundamental shifts by about ?121 cm{sup ?1} upon dimerization, somewhat more than in the anharmonic experiment (?111 cm{sup ?1})

  18. Lessons from Large-Scale Renewable Energy Integration Studies...

    Office of Scientific and Technical Information (OSTI)

    Research Org: National Renewable Energy Laboratory (NREL), Golden, CO. Sponsoring Org: USDOE Office of Energy Efficiency and Renewable Energy Solar Energy Technologies Program ...

  19. Performance of large electron energy filter in large volume plasma device

    SciTech Connect (OSTI)

    Singh, S. K.; Srivastava, P. K.; Awasthi, L. M.; Mattoo, S. K.; Sanyasi, A. K.; Kaw, P. K. [Institute for Plasma Research, Gandhinagar 382 428, Gujarat (India)] [Institute for Plasma Research, Gandhinagar 382 428, Gujarat (India); Singh, R. [Institute for Plasma Research, Gandhinagar 382 428, Gujarat (India) [Institute for Plasma Research, Gandhinagar 382 428, Gujarat (India); WCI Center for Fusion Theory, National Fusion Research Institute Gwahangno 113, Yu-seong-gu, Daejeon, 305-333 (Korea, Republic of)

    2014-03-15

    This paper describes an in-house designed large Electron Energy Filter (EEF) utilized in the Large Volume Plasma Device (LVPD) [S. K. Mattoo, V. P. Anita, L. M. Awasthi, and G. Ravi, Rev. Sci. Instrum. 72, 3864 (2001)] to secure objectives of (a) removing the presence of remnant primary ionizing energetic electrons and the non-thermal electrons, (b) introducing a radial gradient in plasma electron temperature without greatly affecting the radial profile of plasma density, and (c) providing a control on the scale length of gradient in electron temperature. A set of 19 independent coils of EEF make a variable aspect ratio, rectangular solenoid producing a magnetic field (B{sub x}) of 100?G along its axis and transverse to the ambient axial field (B{sub z} ? 6.2?G) of LVPD, when all its coils are used. Outside the EEF, magnetic field reduces rapidly to 1?G at a distance of 20 cm from the center of the solenoid on either side of target and source plasma. The EEF divides LVPD plasma into three distinct regions of source, EEF and target plasma. We report that the target plasma (n{sub e} ? 2 10{sup 11}?cm{sup ?3} and T{sub e} ? 2?eV) has no detectable energetic electrons and the radial gradients in its electron temperature can be established with scale length between 50?and?600 cm by controlling EEF magnetic field. Our observations reveal that the role of the EEF magnetic field is manifested by the energy dependence of transverse electron transport and enhanced transport caused by the plasma turbulence in the EEF plasma.

  20. Energy management planning and control in a large industrial facility

    SciTech Connect (OSTI)

    Rood, L.; Korber, J.

    1995-06-01

    Eastman Kodak`s Kodak Park Manufacturing facility is a collection of hundreds of buildings and millions of square feet operated by dozens of semi-autonomous manufacturing units. The facility is served by a centralized Utilities system which cogenerates electricity and distributes steam, chilled water, compressed air, and several other services throughout the site. Energy management at Kodak Park has been active since the 70`s. In 1991, the Utilities Division took ownership of a site wide energy thrust to address capacity limitations of electric, compressed air and other services. Planning and organizing a program to meet Utilities Division goals in such a large complex site was a slightly daunting task. Tracking progress and keeping on schedule is also a challenge. The authors will describe innovative use of a project management software program called Open Plan{reg_sign} to accomplish much of the planning and control for this program. Open Plan{reg_sign} has been used since the initial planning to the current progress of about 50% completion of the program. Hundreds of activities performed by dozens of resource people are planned and tracked. Not only the usual cost and schedule information is reported, but also the schedule for savings in terms of kilowatt-hours, pounds of steam, etc. These savings schedules are very useful for tracking against energy goals and Utilities business planning. Motivation of the individual departments to participate in the program and collection of data from these departments will also be discussed.

  1. Technical Support Document: Development of the Advanced Energy Design Guide for Large Hospitals - 50% Energy Savings

    SciTech Connect (OSTI)

    Bonnema, E.; Leach, M.; Pless, S.

    2013-06-01

    This Technical Support Document describes the process and methodology for the development of the Advanced Energy Design Guide for Large Hospitals: Achieving 50% Energy Savings Toward a Net Zero Energy Building (AEDG-LH) ASHRAE et al. (2011b). The AEDG-LH is intended to provide recommendations for achieving 50% whole-building energy savings in large hospitals over levels achieved by following Standard 90.1-2004. The AEDG-LH was created for a 'standard' mid- to large-size hospital, typically at least 100,000 ft2, but the strategies apply to all sizes and classifications of new construction hospital buildings. Its primary focus is new construction, but recommendations may be applicable to facilities undergoing total renovation, and in part to many other hospital renovation, addition, remodeling, and modernization projects (including changes to one or more systems in existing buildings).

  2. Alaska's At-large congressional district: Energy Resources |...

    Open Energy Info (EERE)

    Dam Pool Power Agency FDPPA Hattenburg Dilley and Linnell Kodiak Electric Association KEA Remote Power Inc. Sustina Energy Systems Wind Energy Alaska Energy Generation...

  3. Binding energy of a holographic deuteron and tritium in anti-de-Sitter space/conformal field theory (AdS/CFT)

    SciTech Connect (OSTI)

    Pahlavani, M. R.; Sadeghi, J.; Morad, R.

    2010-08-15

    In the large 't Hooft coupling limit, the hadronic size of baryon is small and the nucleon-nucleon potential is obtained from massless pseudoscalar exchanges and an infinite tower of spin-one mesons exchanges. In this article we use the holographic nucleon-nucleon interaction and obtain the corresponding potential and binding energy for deuteron and tritium nuclei. The obtained potentials are repulsive at short distances and clearly become zero by increasing the distance as we expected.

  4. Testing coupled dark energy with large scale structure observation

    SciTech Connect (OSTI)

    Yang, Weiqiang; Xu, Lixin, E-mail: d11102004@mail.dlut.edu.cn, E-mail: lxxu@dlut.edu.cn [Institute of Theoretical Physics, School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian, 116024 (China)

    2014-08-01

    The coupling between the dark components provides a new approach to mitigate the coincidence problem of cosmological standard model. In this paper, dark energy is treated as a fluid with a constant equation of state, whose coupling with dark matter is Q-bar =3H?{sub x}?-bar {sub x}. In the frame of dark energy, we derive the evolution equations for the density and velocity perturbations. According to the Markov Chain Monte Carlo method, we constrain the model by currently available cosmic observations which include cosmic microwave background radiation, baryon acoustic oscillation, type Ia supernovae, and f?{sub 8}(z) data points from redshift-space distortion. The results show the interaction rate in ? regions: ?{sub x}=0.00328{sub -0.00328-0.00328-0.00328}{sup +0.000736+0.00549+0.00816}, which means that the recently cosmic observations favor a small interaction rate which is up to the order of 10{sup -2}, meanwhile, the measurement of redshift-space distortion could rule out the large interaction rate in the ? region.

  5. Large Scale Computing and Storage Requirements for High Energy Physics

    SciTech Connect (OSTI)

    Gerber, Richard A.; Wasserman, Harvey

    2010-11-24

    The National Energy Research Scientific Computing Center (NERSC) is the leading scientific computing facility for the Department of Energy's Office of Science, providing high-performance computing (HPC) resources to more than 3,000 researchers working on about 400 projects. NERSC provides large-scale computing resources and, crucially, the support and expertise needed for scientists to make effective use of them. In November 2009, NERSC, DOE's Office of Advanced Scientific Computing Research (ASCR), and DOE's Office of High Energy Physics (HEP) held a workshop to characterize the HPC resources needed at NERSC to support HEP research through the next three to five years. The effort is part of NERSC's legacy of anticipating users needs and deploying resources to meet those demands. The workshop revealed several key points, in addition to achieving its goal of collecting and characterizing computing requirements. The chief findings: (1) Science teams need access to a significant increase in computational resources to meet their research goals; (2) Research teams need to be able to read, write, transfer, store online, archive, analyze, and share huge volumes of data; (3) Science teams need guidance and support to implement their codes on future architectures; and (4) Projects need predictable, rapid turnaround of their computational jobs to meet mission-critical time constraints. This report expands upon these key points and includes others. It also presents a number of case studies as representative of the research conducted within HEP. Workshop participants were asked to codify their requirements in this case study format, summarizing their science goals, methods of solution, current and three-to-five year computing requirements, and software and support needs. Participants were also asked to describe their strategy for computing in the highly parallel, multi-core environment that is expected to dominate HPC architectures over the next few years. The report includes

  6. First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups

    SciTech Connect (OSTI)

    Li, Yang; Tu, Xingchen; Wang, Hao; Hou, Shimin; Sanvito, Stefano

    2015-04-28

    The electronic efficiency and binding energy of contacts formed between graphene electrodes and poly-aromatic hydrocarbon (PAH) anchoring groups have been investigated by the non-equilibrium Greens function formalism combined with density functional theory. Our calculations show that PAH molecules always bind in the interior and at the edge of graphene in the AB stacking manner, and that the binding energy increases following the increase of the number of carbon and hydrogen atoms constituting the PAH molecule. When we move to analyzing the electronic transport properties of molecular junctions with a six-carbon alkyne chain as the central molecule, the electronic efficiency of the graphene-PAH contacts is found to depend on the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the corresponding PAH anchoring group, rather than its size. To be specific, the smaller is the HOMO-LUMO gap of the PAH anchoring group, the higher is the electronic efficiency of the graphene-PAH contact. Although the HOMO-LUMO gap of a PAH molecule depends on its specific configuration, PAH molecules with similar atomic structures show a decreasing trend for their HOMO-LUMO gap as the number of fused benzene rings increases. Therefore, graphene-conjugated molecule-graphene junctions with high-binding and high-conducting graphene-PAH contacts can be realized by choosing appropriate PAH anchor groups with a large area and a small HOMO-LUMO gap.

  7. Mesoscale and Large-Eddy Simulations for Wind Energy

    SciTech Connect (OSTI)

    Marjanovic, N

    2011-02-22

    Operational wind power forecasting, turbine micrositing, and turbine design require high-resolution simulations of atmospheric flow over complex terrain. The use of both Reynolds-Averaged Navier Stokes (RANS) and large-eddy (LES) simulations is explored for wind energy applications using the Weather Research and Forecasting (WRF) model. To adequately resolve terrain and turbulence in the atmospheric boundary layer, grid nesting is used to refine the grid from mesoscale to finer scales. This paper examines the performance of the grid nesting configuration, turbulence closures, and resolution (up to as fine as 100 m horizontal spacing) for simulations of synoptically and locally driven wind ramping events at a West Coast North American wind farm. Interestingly, little improvement is found when using higher resolution simulations or better resolved turbulence closures in comparison to observation data available for this particular site. This is true for week-long simulations as well, where finer resolution runs show only small changes in the distribution of wind speeds or turbulence intensities. It appears that the relatively simple topography of this site is adequately resolved by all model grids (even as coarse as 2.7 km) so that all resolutions are able to model the physics at similar accuracy. The accuracy of the results is shown in this paper to be more dependent on the parameterization of the land-surface characteristics such as soil moisture rather than on grid resolution.

  8. Locations of Smart Grid Demonstration and Large-Scale Energy Storage

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

    Projects | Department of Energy Locations of Smart Grid Demonstration and Large-Scale Energy Storage Projects Locations of Smart Grid Demonstration and Large-Scale Energy Storage Projects Map of the United States showing the location of all projects created with funding from the Smart Grid Demonstration and Energy Storage Project, funded through the American Recovery and Reinvestment Act. Locations of Smart Grid Demonstration and Large-Scale Energy Storage Projects (90.94 KB) More Documents

  9. Determination of the Exciton Binding Energy in CdSe Quantum Dots

    SciTech Connect (OSTI)

    Meulenberg, R; Lee, J; Wolcott, A; Zhang, J; Terminello, L; van Buuren, T

    2009-10-27

    The exciton binding energy (EBE) in CdSe quantum dots (QDs) has been determined using x-ray spectroscopy. Using x-ray absorption and photoemission spectroscopy, the conduction band (CB) and valence band (VB) edge shifts as a function of particle size have been determined and combined to obtain the true band gap of the QDs (i.e. without and exciton). These values can be compared to the excitonic gap obtained using optical spectroscopy to determine the EBE. The experimental EBE results are compared with theoretical calculations on the EBE and show excellent agreement.

  10. Binding Energies and Melting Temperatures of Heavy Hadrons in Quark-Gluon Plasma

    SciTech Connect (OSTI)

    Narodetskii, I. M.; Simonov, Yu. A.; Veselov, A. I.

    2011-05-23

    We discuss the consequences of the suggestion that the non-perturbative quark-antiquark potential at T{>=}T{sub c}, where T{sub c} is a temperature of a deconfinement phase transition in QCD can be studied through the modification of the correlation functions, which define the quadratic field correlators of the nonperturbative vaccuum fields. We use the non-perturbative quark-antiquark potential derived within the Field Correlator Method and the screened Coulomb potential with T-dependent Debye mass to calculate J/{psi}, {Upsilon} and {Omega}{sub bbb} binding energies and melting temperatures in the deconfined phase of QCD.

  11. Fail-Safe Designs for Large Capacity Battery Systems - Energy...

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

    Return to Search Fail-Safe Designs for Large Capacity Battery Systems United States Patent ... Design for Large Capacity Li-Ion Battery Systems Abstract: Fail-safe systems and ...

  12. Energy Savings Modelling of Re-tuning Energy Conservation Measures in Large Office Buildings

    SciTech Connect (OSTI)

    Fernandez, Nicholas; Katipamula, Srinivas; Wang, Weimin; Huang, Yunzhi; Liu, Guopeng

    2014-10-20

    Today, many large commercial buildings use sophisticated building automation systems (BASs) to manage a wide range of building equipment. While the capabilities of BASs have increased over time, many buildings still do not fully use the BASs capabilities and are not properly commissioned, operated or maintained, which leads to inefficient operation, increased energy use, and reduced lifetimes of the equipment. This paper investigates the energy savings potential of several common HVAC system re-tuning measures on a typical large office building, using the Department of Energys building energy modeling software, EnergyPlus. The baseline prototype model uses roughly as much energy as an average large office building in existing building stock, but does not utilize any re-tuning measures. Individual re-tuning measures simulated against this baseline include automatic schedule adjustments, damper minimum flow adjustments, thermostat adjustments, as well as dynamic resets (set points that change continuously with building and/or outdoor conditions) to static pressure, supply-air temperature, condenser water temperature, chilled and hot water temperature, and chilled and hot water differential pressure set points. Six combinations of these individual measures have been formulated each designed to conform to limitations to implementation of certain individual measures that might exist in typical buildings. All the individual measures and combinations were simulated in 16 climate locations representative of specific U.S. climate zones. The modeling results suggest that the most effective energy savings measures are those that affect the demand-side of the building (air-systems and schedules). Many of the demand-side individual measures were capable of reducing annual total HVAC system energy consumption by over 20% in most cities that were modeled. Supply side measures affecting HVAC plant conditions were only modestly successful (less than 5% annual HVAC energy

  13. National Weatherization Assistance Program Impact Evaluation: Energy Impacts for Large Multifamily Buildings

    SciTech Connect (OSTI)

    Blasnik, Michael; Dalhoff, Greg; Carroll, David; Ucar, Ferit

    2015-10-01

    This report estimates energy savings, energy cost savings, and cost effectiveness attributable to weatherizing large multifamily buildings under the auspices of the Department of Energy's Weatherization Assistance Program during Program Year 2008.

  14. Size-dependent stability toward dissociation and ligand binding energies of phosphine-ligated gold cluster ions

    SciTech Connect (OSTI)

    Johnson, Grant E.; Priest, Thomas A.; Laskin, Julia

    2014-01-01

    The stability of sub-nanometer size gold clusters ligated with organic molecules is of paramount importance to the scalable synthesis of monodisperse size-selected metal clusters with highly tunable chemical and physical properties. For the first time, a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR-MS) equipped with surface induced dissociation (SID) has been employed to investigate the time and collision energy resolved fragmentation behavior of cationic doubly charged gold clusters containing 7-9 gold atoms and 6-7 triphenylphosphine (TPP) ligands prepared by reduction synthesis in solution. The TPP ligated gold clusters are demonstrated to fragment through three primary dissociation pathways: (1) Loss of a neutral TPP ligand from the precursor gold cluster, (2) asymmetric fission and (3) symmetric fission and charge separation of the gold core resulting in formation of complementary pairs of singly charged fragment ions. Threshold energies and activation entropies of these fragmentation pathways have been determined employing Rice-Ramsperger-Kassel-Marcus (RRKM) modeling of the experimental SID data. It is demonstrated that the doubly charged cluster ion containing eight gold atoms and six TPP ligands, (8,6)2+, exhibits exceptional stability compared to the other cationic gold clusters examined in this study due to its large ligand binding energy of 1.76 eV. Our findings demonstrate the dramatic effect of the size and extent of ligation on the gas-phase stability and preferred fragmentation pathways of small TPP-ligated gold clusters.

  15. Energy Department Applauds Nation's First Large-Scale Industrial...

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

    ... News Media Contact: 202-586-4940 Addthis Related Articles Large-Scale Industrial Carbon ... designed National Sequestration Education Center, located at Richland Community ...

  16. Correlating hydrogen oxidation and evolution activity on platinum at different pH with measured hydrogen binding energy

    SciTech Connect (OSTI)

    Sheng, WC; Zhuang, ZB; Gao, MR; Zheng, J; Chen, JGG; Yan, YS

    2015-01-08

    The hydrogen oxidation/evolution reactions are two of the most fundamental reactions in distributed renewable electrochemical energy conversion and storage systems. The identification of the reaction descriptor is therefore of critical importance for the rational catalyst design and development. Here we report the correlation between hydrogen oxidation/evolution activity and experimentally measured hydrogen binding energy for polycrystalline platinum examined in several buffer solutions in a wide range of electrolyte pH from 0 to 13. The hydrogen oxidation/evolution activity obtained using the rotating disk electrode method is found to decrease with the pH, while the hydrogen binding energy, obtained from cyclic voltammograms, linearly increases with the pH. Correlating the hydrogen oxidation/evolution activity to the hydrogen binding energy renders a monotonic decreasing hydrogen oxidation/evolution activity with the hydrogen binding energy, strongly supporting the hypothesis that hydrogen binding energy is the sole reaction descriptor for the hydrogen oxidation/evolution activity on monometallic platinum.

  17. Lessons from Large-Scale Renewable Energy Integration Studies: Preprint

    SciTech Connect (OSTI)

    Bird, L.; Milligan, M.

    2012-06-01

    In general, large-scale integration studies in Europe and the United States find that high penetrations of renewable generation are technically feasible with operational changes and increased access to transmission. This paper describes other key findings such as the need for fast markets, large balancing areas, system flexibility, and the use of advanced forecasting.

  18. Wyoming's At-large congressional district: Energy Resources ...

    Open Energy Info (EERE)

    River Energy Corporation Retrieved from "http:en.openei.orgwindex.php?titleWyoming%27sAt-largecongressionaldistrict&oldid184571" Feedback Contact needs updating Image...

  19. National Grid (Electric)- Large Commercial Energy Efficiency Custom Program

    Broader source: Energy.gov [DOE]

    New Construction Custom Program: National Grid’s new construction program offers energy strategies, technical assistance and financial incentives to customers who are building new facilities,...

  20. Fail-safe designs for large capacity battery systems - Energy...

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

    determine whether the fault is evolving, and electrically isolate the faulty cell from the rest of the battery, preventing further electrical energy from feeding into the fault. ...

  1. Benchmark Theoretical Study of the π–π Binding Energy in the Benzene Dimer

    SciTech Connect (OSTI)

    Miliordos, Evangelos; Apra, Edoardo; Xantheas, Sotiris S.

    2014-09-04

    We establish a new estimate for the interaction energy between two benzene molecules in the parallel displaced (PD) conformation by systematically converging (i) the intra- and intermolecular geometry at the minimum geometry, (ii) the expansion of the orbital basis set and (iii) the level of electron correlation. The calculations were performed at the second order Møller - Plesset perturbation (MP2) and the Coupled Cluster including Singles, Doubles and a perturbative estimate of Triples replacements [CCSD(T)] levels of electronic structure theory. At both levels of theory, by including results corrected for Basis Set Superposition Error (BSSE), we have estimated the Complete Basis Set (CBS) limit by employing the family of Dunning’s correlation consistent polarized valence basis sets. The largest MP2 calculation was performed with the cc-pV6Z basis set (2,772 basis functions), whereas the largest CCSD(T) calculation with the cc-pV5Z basis set (1,752 basis functions). The cluster geometries were optimized with basis sets up to quadruple-ζ quality, observing that both its intra- and inter-molecular parts have practically converged with the triple-ζ quality sets. The use of converged geometries was found to play an important role for obtaining accurate estimates for the CBS limits. Our results demonstrate that the binding energies with the families of the plain (cc-pVnZ) and augmented (aug-cc-pVnZ) sets converge [to within < 0.01 kcal/mol for MP2 and < 0.15 kcal/mol for CCSD(T)] to the same CBS limit. In addition, the average of the uncorrected and BSSEcorrected binding energies was found to converge to the same CBS limit must faster than either of the two constituents (uncorrected or BSSE-corrected binding energies). Due to the fact that the family of augmented basis sets (especially for the larger sets) causes serious linear dependency problems, the plain basis sets (for which no linear dependencies were found) are deemed as a more efficient and

  2. The impacts of electronic state hybridization on the binding energy of single phosphorus donor electrons in extremely downscaled silicon nanostructures

    SciTech Connect (OSTI)

    The Anh, Le Manoharan, Muruganathan; Moraru, Daniel; Tabe, Michiharu; Mizuta, Hiroshi

    2014-08-14

    We present the density functional theory calculations of the binding energy of the Phosphorus (P) donor electrons in extremely downscaled single P-doped Silicon (Si) nanorods. In past studies, the binding energy of donor electrons was evaluated for the Si nanostructures as the difference between the ionization energy for the single P-doped Si nanostructures and the electron affinity for the un-doped Si nanostructures. This definition does not take into account the strong interaction of donor electron states and Si electron states explicitly at the conductive states and results in a monotonous increase in the binding energy by reducing the nanostructure's dimensions. In this paper, we introduce a new approach to evaluate the binding energy of donor electrons by combining the projected density of states (PDOS) analysis and three-dimensional analysis of associated electron wavefunctions. This enables us to clarify a gradual change of the spatial distribution of the 3D electron wavefunctions (3DWFs) from the donor electron ground state, which is fully localized around the P donor site to the first conductive state, which spreads over the outer Si nanorods contributing to current conduction. We found that the energy of the first conductive state is capped near the top of the atomistic effective potential at the donor site with respect to the surrounding Si atoms in nanorods smaller than about 27 a{sub 0}. This results in the binding energy of approximately 1.5?eV, which is virtually independent on the nanorod's dimensions. This fact signifies a good tolerance of the binding energy, which governs the operating temperature of the single dopant-based transistors in practice. We also conducted the computationally heavy transmission calculations of the single P-doped Si nanorods connected to the source and drain electrodes. The calculated transmission spectra are discussed in comparison with the atomistic effective potential distributions and the PDOS-3DWFs method.

  3. Glendale Water and Power- Large Business Energy Efficiency Program

    Broader source: Energy.gov [DOE]

    Glendale Water and Power (GWP) offers a rebate to its medium and large business customers with electric bills of more than $3000 per month (electric usage of 250,000 kWh annually ~ $36,000 per year...

  4. New Hampshire Electric Co-Op - Large Business Energy Solutions...

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

    Speed Drives: 1,050 - 4,400 Custom: lesser of 35% of the total installed cost or buy down to 1 year pay Summary New Hampshire Electric Co-Op offers incentives for its large...

  5. Property:Building/SPElectrtyUsePercLargeKitchens | Open Energy...

    Open Energy Info (EERE)

    yUsePercLargeKitchens" Showing 25 pages using this property. (previous 25) (next 25) S Sweden Building 05K0001 + 1.06788610412 + Sweden Building 05K0002 + 0.0 + Sweden Building...

  6. Web-based energy information systems for large commercial buildings

    SciTech Connect (OSTI)

    Motegi, Naoya; Piette, Mary Ann

    2003-03-29

    Energy Information Systems (EIS), which monitor and organize building energy consumption and related trend data over the Internet, have been evolving over the past decade. This technology helps perform key energy management functions such as organizing energy use data, identifying energy consumption anomalies, managing energy costs, and automating demand response strategies. During recent years numerous developers and vendors of EIS have been deploying these products in a highly competitive market. EIS offer various software applications and services for a variety of purposes. Costs for such system vary greatly depending on the system's capabilities and how they are marketed. Some products are marketed directly to end users while others are made available as part of electric utility programs. EIS can be a useful tool in building commissioning and retro-commissioning. This paper reviews more than a dozen EIS. We have developed an analytical framework to characterize the main features of these products, which are developed for a variety of utility programs and end-use markets. The purpose of this research is to evaluate EIS capabilities and limitations, plus examine longer-term opportunities for utilizing such technology to improve building energy efficiency and load management.

  7. Clean Energy Solutions Large Scale CHP and Fuel Cells Program...

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

    the program has been managed by the NJ Board of Public Utilities (BPU) as a part of its Clean Energy Program. Applications should be directed to NJ BPU instead of NJ Economic...

  8. Large Scale Computing and Storage Requirements for High Energy...

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

    for High Energy Physics Accelerator Physics P. Spentzouris, Fermilab Motivation ... Project-X http:www.er.doe.govhepHEPAPreportsP5Report%2006022008.pdf ComPASS The SciDAC2 ...

  9. 3D calculation of Tucson-Melbourne 3NF effect in triton binding energy

    SciTech Connect (OSTI)

    Hadizadeh, M. R.; Tomio, L.; Bayegan, S.

    2010-08-04

    As an application of the new realistic three-dimensional (3D) formalism reported recently for three-nucleon (3N) bound states, an attempt is made to study the effect of three-nucleon forces (3NFs) in triton binding energy in a non partial wave (PW) approach. The spin-isospin dependent 3N Faddeev integral equations with the inclusion of 3NFs, which are formulated as function of vector Jacobi momenta, specifically the magnitudes of the momenta and the angle between them, are solved with Bonn-B and Tucson-Melbourne NN and 3N forces in operator forms which can be incorporated in our 3D formalism. The comparison with numerical results in both, novel 3D and standard PW schemes, shows that non PW calculations avoid the very involved angular momentum algebra occurring for the permutations and transformations and it is more efficient and less cumbersome for considering the 3NF.

  10. 2016-05-13 Energy Conservation Standards for Small, Large, and...

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

    Warm Air Furnaces; Notice of Effective Date and Compliance Dates for Direct Final Rule 2016-05-13 Energy Conservation Standards for Small, Large, and Very Large Air-Cooled ...

  11. Energy Department Awards $66.7 Million for Large-Scale Carbon...

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

    66.7 Million for Large-Scale Carbon Sequestration Project Energy Department Awards 66.7 Million for Large-Scale Carbon Sequestration Project December 18, 2007 - 4:58pm Addthis ...

  12. Dark energy properties from large future galaxy surveys

    SciTech Connect (OSTI)

    Basse, Tobias; Bjlde, Ole Eggers; Hannestad, Steen; Hamann, Jan; Wong, Yvonne Y.Y. E-mail: oeb@phys.au.dk E-mail: sth@phys.au.dk

    2014-05-01

    We perform a detailed forecast on how well a Euclid-like survey will be able to constrain dark energy and neutrino parameters from a combination of its cosmic shear power spectrum, galaxy power spectrum, and cluster mass function measurements. We find that the combination of these three probes vastly improves the survey's potential to measure the time evolution of dark energy. In terms of a dark energy figure-of-merit defined as (?(w{sub p})?(w{sub a})){sup ?1}, we find a value of 690 for Euclid-like data combined with Planck-like measurements of the cosmic microwave background anisotropies in a 10-dimensional cosmological parameter space, assuming a ?CDM fiducial cosmology. For the more commonly used 7-parameter model, we find a figure-of-merit of 1900 for the same data combination. We consider also the survey's potential to measure dark energy perturbations in models wherein the dark energy is parameterised as a fluid with a nonstandard non-adiabatic sound speed, and find that in an optimistic scenario in which w{sub 0} deviates from -1 by as much as is currently observationally allowed, models with c-circumflex {sub s}{sup 2} = 10{sup ?6} and c-circumflex {sub s}{sup 2} = 1 can be distinguished from one another at more than 2? significance. We emphasise that constraints on the dark energy sound speed from cluster measurements are strongly dependent on the modelling of the cluster mass function; significantly weaker sensitivities ensue if we modify our model to include fewer features of nonlinear dark energy clustering. Finally, we find that the sum of neutrino masses can be measured with a 1? precision of 0.015 eV, even in complex cosmological models in which the dark energy equation of state varies with time. The 1? sensitivity to the effective number of relativistic species N{sub eff}{sup ml} is approximately 0.03, meaning that the small deviation of 0.046 from 3 in the standard value of N{sub eff}{sup ml} due to non-instantaneous decoupling and finite

  13. Solar energy teaching lab with large scale working model

    SciTech Connect (OSTI)

    Pearson, J.; Cook, T.

    1980-01-01

    An active solar energy retrofit has been added to an engineering building at John Brown University. A new system dependent evaluation procedure incorporating the f-chart method was used for panel selection. The system is designed and instrumented in order to provide various laboratory experiences and data collection capability. Data collection and system control are provided by a microcomputer. 7 refs.

  14. Large Scale GSHP as Alternative Energy for American Farmers | Department of

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

    Energy Large Scale GSHP as Alternative Energy for American Farmers Large Scale GSHP as Alternative Energy for American Farmers Project objectives: 100% replacement of on-site fossil fuel in the poultry farm; Reduce heating cost by 70% through bar efficiency improvement, GSHP and solar applications; Reduce 4% of mortality through cooling effect of GSHP in summer. gshp_xu_gshp_farmers.pdf (276.4 KB) More Documents & Publications Analysis of Energy, Environmental and Life Cycle Cost

  15. Fail-Safe Design for Large Capacity Li-Ion Battery Systems - Energy

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

    Innovation Portal Find More Like This Return to Search Fail-Safe Design for Large Capacity Li-Ion Battery Systems National Renewable Energy Laboratory Contact NREL About This Technology Publications: PDF Document Publication Fail Safe Design for Large Capacity Lithium-ion Batteries.pdf (2,324 KB) Technology Marketing Summary Lithium-ion batteries (LIBs) are a promising candidate for energy storage of electric drive vehicles due to their high power and energy density. The total electric

  16. ARRA-Multi-Level Energy Storage and Controls for Large-Scale Wind Energy Integration

    SciTech Connect (OSTI)

    David Wenzhong Gao

    2012-09-30

    intelligent controller that increases battery life within hybrid energy storage systems for wind application was developed. Comprehensive studies have been conducted and simulation results are analyzed. A permanent magnet synchronous generator, coupled with a variable speed wind turbine, is connected to a power grid (14-bus system). A rectifier, a DC-DC converter and an inverter are used to provide a complete model of the wind system. An Energy Storage System (ESS) is connected to a DC-link through a DC-DC converter. An intelligent controller is applied to the DC-DC converter to help the Voltage Source Inverter (VSI) to regulate output power and also to control the operation of the battery and supercapacitor. This ensures a longer life time for the batteries. The detailed model is simulated in PSCAD/EMTP. Additionally, economic analysis has been done for different methods that can reduce the wind power output fluctuation. These methods are, wind power curtailment, dumping loads, battery energy storage system and hybrid energy storage system. From the results, application of single advanced HESS can save more money for wind turbines owners. Generally the income would be the same for most of methods because the wind does not change and maximum power point tracking can be applied to most systems. On the other hand, the cost is the key point. For short term and small wind turbine, the BESS is the cheapest and applicable method while for large scale wind turbines and wind farms the application of advanced HESS would be the best method to reduce the power fluctuation. The key outcomes of this project include a new intelligent controller that can reduce energy exchanged between the battery and DC-link, reduce charging/discharging cycles, reduce depth of discharge and increase time interval between charge/discharge, and lower battery temperature. This improves the overall lifetime of battery energy storages. Additionally, a new design method based on probability help optimize the

  17. NREL Offers an Open-Source Solution for Large-Scale Energy Data Collection

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

    and Analysis - News Releases | NREL NREL Offers an Open-Source Solution for Large-Scale Energy Data Collection and Analysis June 18, 2013 The Energy Department's National Renewable Energy Laboratory (NREL) is launching an open-source system for storing, integrating, and aligning energy-related time-series data. NREL's Energy DataBus is used for tracking and analyzing energy use on its own campus. The system is applicable to other facilities-including anything from a single building to a

  18. Changes in the Zero-Point Energy of the Protons as the Source of the Binding Energy of Water to A-Phase DNA

    SciTech Connect (OSTI)

    Reiter, G. F.; Senesi, R.; Mayers, J.

    2010-10-01

    The measured changes in the zero-point kinetic energy of the protons are entirely responsible for the binding energy of water molecules to A phase DNA at the concentration of 6 water molecules/base pair. The changes in kinetic energy can be expected to be a significant contribution to the energy balance in intracellular biological processes and the properties of nano-confined water. The shape of the momentum distribution in the dehydrated A phase is consistent with coherent delocalization of some of the protons in a double well potential, with a separation of the wells of 0.2 Angst .

  19. FEMP Helps Federal Facilities Develop Large-Scale Renewable Energy Projects

    Broader source: Energy.gov [DOE]

    FEMP developed a guide to help federal agencies, as well as the developers and financiers that work with them, to successfully install large-scale renewable energy projects at federal facilities.

  20. Energy Department Announces Participation in Clean Line’s Large-Scale Energy Transmission Project

    Broader source: Energy.gov [DOE]

    Plains and Eastern Clean Line Record of Decision Advances Grid Modernization and Renewable Energy Goals

  1. Materials Science and Materials Chemistry for Large Scale Electrochemical Energy Storage: From Transportation to Electrical Grid

    SciTech Connect (OSTI)

    Liu, Jun; Zhang, Jiguang; Yang, Zhenguo; Lemmon, John P.; Imhoff, Carl H.; Graff, Gordon L.; Li, Liyu; Hu, Jian Z.; Wang, Chong M.; Xiao, Jie; Xia, Guanguang; Viswanathan, Vilayanur V.; Baskaran, Suresh; Sprenkle, Vincent L.; Li, Xiaolin; Shao, Yuyan; Schwenzer, Birgit

    2013-02-15

    Large-scale electrical energy storage has become more important than ever for reducing fossil energy consumption in transportation and for the widespread deployment of intermittent renewable energy in electric grid. However, significant challenges exist for its applications. Here, the status and challenges are reviewed from the perspective of materials science and materials chemistry in electrochemical energy storage technologies, such as Li-ion batteries, sodium (sulfur and metal halide) batteries, Pb-acid battery, redox flow batteries, and supercapacitors. Perspectives and approaches are introduced for emerging battery designs and new chemistry combinations to reduce the cost of energy storage devices.

  2. ISSUANCE 2015-12-17: Energy Conservation Program for Certain Industrial Equipment: Energy Conservation Standards for Small, Large, and Very Large Air-Cooled Commercial Package Air Conditioning and Heating Equipment and Commercial Warm Air Furnaces

    Office of Energy Efficiency and Renewable Energy (EERE)

    Energy Conservation Program for Certain Industrial Equipment: Energy Conservation Standards for Small, Large, and Very Large Air-Cooled Commercial Package Air Conditioning and Heating Equipment and Commercial Warm Air Furnaces

  3. ISSUANCE 2015-12-17: Energy Conservation Program for Certain Industrial Equipment: Energy Conservation Standards for Small, Large, and Very Large Air-Cooled Commercial Package Air Conditioning and Heating Equipment and Commercial Warm Air Furnaces

    Office of Energy Efficiency and Renewable Energy (EERE)

    Energy Conservation Program for Certain Industrial Equipment: Energy Conservation Standards for Small, Large, and Very Large Air-Cooled Commercial Package Air Conditioning and Heating Equipment and Commercial Warm Air Furnaces, Supplemental Notice of Proposed Rulemaking

  4. Panel 1, Towards Sustainable Energy Systems: The Role of Large-Scale Hydrogen Storage in Germany

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

    Hanno Butsch | Head of International Cooperation NOW GmbH National Organization Hydrogen and Fuel Cell Technology Towards sustainable energy systems - The role of large scale hydrogen storage in Germany May 14th, 2014 | Sacramento Political background for the transition to renewable energies 2 * Climate protection: Global responsibility for the next generation. * Energy security: More independency from fossil fuels. * Securing the economy: Creating new markets and jobs through innovations. Three

  5. Energy Department Loan Guarantee Would Support Large-Scale Rooftop Solar

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

    Power for U.S. Military Housing | Department of Energy Loan Guarantee Would Support Large-Scale Rooftop Solar Power for U.S. Military Housing Energy Department Loan Guarantee Would Support Large-Scale Rooftop Solar Power for U.S. Military Housing September 7, 2011 - 2:10pm Addthis Washington D.C. - U.S. Energy Secretary Steven Chu today announced the offer of a conditional commitment for a partial guarantee of a $344 million loan that will support the SolarStrong Project, which is expected

  6. The Energy DataBus: NREL's Open-Source Application for Large-Scale Energy Data Collection and Analysis

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    NREL’s Energy DataBus is used for tracking and analyzing energy use on its own campus. The system is applicable to other facilities—including anything from a single building to a large military base or college campus—or for other energy data management needs. Managing and minimizing energy consumption on a large campus is usually a difficult task for facility managers: There may be hundreds of energy meters spread across a campus, and the meter data are often recorded by hand. Even when data are captured electronically, there may be measurement issues or time periods that may not coincide. Making sense of this limited and often confusing data can be a challenge that makes the assessment of building performance a struggle for many facility managers. The Energy DataBus software was developed by NREL to address these issues on its own campus, but with an eye toward offering its software solutions to other facilities. Key features include the software's ability to store large amounts of data collected at high frequencies—NREL collects some of its energy data every second—and rich functionality to integrate this wide variety of data into a single database [copied from http://en.openei.org/wiki/NREL_Energy_DataBus].

  7. The Energy DataBus: NREL's Open-Source Application for Large-Scale Energy Data Collection and Analysis

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    NRELs Energy DataBus is used for tracking and analyzing energy use on its own campus. The system is applicable to other facilitiesincluding anything from a single building to a large military base or college campusor for other energy data management needs. Managing and minimizing energy consumption on a large campus is usually a difficult task for facility managers: There may be hundreds of energy meters spread across a campus, and the meter data are often recorded by hand. Even when data are captured electronically, there may be measurement issues or time periods that may not coincide. Making sense of this limited and often confusing data can be a challenge that makes the assessment of building performance a struggle for many facility managers. The Energy DataBus software was developed by NREL to address these issues on its own campus, but with an eye toward offering its software solutions to other facilities. Key features include the software's ability to store large amounts of data collected at high frequenciesNREL collects some of its energy data every secondand rich functionality to integrate this wide variety of data into a single database [copied from http://en.openei.org/wiki/NREL_Energy_DataBus].

  8. Energy and Cost Savings of Retro-Commissioning and Retrofit Measures for Large Office Buildings

    SciTech Connect (OSTI)

    Wang, Weimin; Zhang, Jian; Moser, Dave; Liu, Guopeng; Athalye, Rahul A.; Liu, Bing

    2012-08-03

    This paper evaluates the energy and cost savings of seven retro-commissioning measures and 29 retrofit measures applicable to most large office buildings. The baseline model is for a hypothetical building with characteristics of large office buildings constructed before 1980. Each retro-commissioning measure is evaluated against the original baseline in terms of its potential of energy and cost savings while each retrofit measure is evaluated against the commissioned building. All measures are evaluated in five locations (Miami, Las Vegas, Seattle, Chicago and Duluth) to understand the impact of weather conditions on energy and cost savings. The results show that implementation of the seven operation and maintenance measures as part of a retro-commissioning process can yield an average of about 22% of energy use reduction and 14% of energy cost reduction. Widening zone temperature deadband, lowering VAV terminal minimum air flow set points and lighting upgrades are effective retrofit measures to be considered.

  9. Technical Support Document: Strategies for 50% Energy Savings in Large Office Buildings

    SciTech Connect (OSTI)

    Leach, M.; Lobato, C.; Hirsch, A.; Pless, S.; Torcellini, P.

    2010-09-01

    This Technical Support Document (TSD) documents technical analysis that informs design guidance for designing and constructing large office buildings that achieve 50% net site energy savings over baseline buildings defined by minimal compliance with respect to ANSI/ASHRAE/IESNA Standard 90.1-2004. This report also represents a step toward developing a methodology for using energy modeling in the design process to achieve aggressive energy savings targets. This report documents the modeling and analysis methods used to identify design recommendations for six climate zones that capture the range of U.S. climate variability; demonstrates how energy savings change between ASHRAE Standard 90.1-2007 and Standard 90.1-2004 to determine baseline energy use; uses a four-story 'low-rise' prototype to analyze the effect of building aspect ratio on energy use intensity; explores comparisons between baseline and low-energy building energy use for alternate energy metrics (net source energy, energy emissions, and energy cost); and examines the extent to which glass curtain construction limits achieve energy savings by using a 12-story 'high-rise' prototype.

  10. Large-x connections of nuclear and high-energy physics

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

    Accardi, Alberto

    2013-11-20

    I discuss how global QCD fits of parton distribution functions can make the somewhat separated fields of high-energy particle physics and lower energy hadronic and nuclear physics interact to the benefit of both. I review specific examples of this interplay from recent works of the CTEQ-Jefferson Lab collaboration, including hadron structure at large parton momentum and gauge boson production at colliders. Particular attention is devoted to quantifying theoretical uncertainties arising in the treatment of large partonic momentum contributions to deep inelastic scattering observables, and to discussing the experimental progress needed to reduce these.

  11. Using an Energy Performance Based Design-Build Process to Procure a Large Scale Low-Energy Building: Preprint

    SciTech Connect (OSTI)

    Pless, S.; Torcellini, P.; Shelton, D.

    2011-05-01

    This paper will review a procurement, acquisition, and contract process of a large-scale replicable net zero energy (ZEB) office building. The owners developed and implemented an energy performance based design-build process to procure a 220,000 ft2 office building with contractual requirements to meet demand side energy and LEED goals. We will outline the key procurement steps needed to ensure achievement of our energy efficiency and ZEB goals. The development of a clear and comprehensive Request for Proposals (RFP) that includes specific and measurable energy use intensity goals is critical to ensure energy goals are met in a cost effective manner. The RFP includes a contractual requirement to meet an absolute demand side energy use requirement of 25 kBtu/ft2, with specific calculation methods on what loads are included, how to normalize the energy goal based on increased space efficiency and data center allocation, specific plug loads and schedules, and calculation details on how to account for energy used from the campus hot and chilled water supply. Additional advantages of integrating energy requirements into this procurement process include leveraging the voluntary incentive program, which is a financial incentive based on how well the owner feels the design-build team is meeting the RFP goals.

  12. Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo

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

    Mayers, Matthew Z.; Berkelbach, Timothy C.; Hybertsen, Mark S.; Reichman, David R.

    2015-10-09

    Ground-state diffusion Monte Carlo is used to investigate the binding energies and intercarrier radial probability distributions of excitons, trions, and biexcitons in a variety of two-dimensional transition-metal dichalcogenide materials. We compare these results to approximate variational calculations, as well as to analogous Monte Carlo calculations performed with simplified carrier interaction potentials. Our results highlight the successes and failures of approximate approaches as well as the physical features that determine the stability of small carrier complexes in monolayer transition-metal dichalcogenide materials. In conclusion, we discuss points of agreement and disagreement with recent experiments.

  13. Large climate-moderating envelopes for enclosed structures: a preliminary evaluation of energy conservation potential

    SciTech Connect (OSTI)

    Wendt, R.L.; Giles, G.E.; Park, J.E.

    1981-12-01

    An investigation was made of the basic impacts of putting a large secondary enclosure around a number of functions and thereby creating a Large Climate Moderating Envelope (LCME). This study is a preliminary estimate of the energy conservation benefits of an LCME. A hypothetical LMCE design was chosen and a coupled fluid dynamic and energy transport analysis was performed to estimate the energy conservation potential of this design. The heat transfer models included insolation, outside air temperature and wind, thermal radiation exchange with the sky, and between the fabric and ground and thermal storage in the earth mass beneath the LCME. The energy transported within the fluid by the buoyancy driven circulation was modeled as an incompressible fluid utilizing the Boussinesq approximation. The climatic conditions were assumed to vary in smooth repeating daily cycles. The numerical simulation of climatic variation was continued until the results within the LCME achieved a repeating daily cycle. The results for selected seasonally characteristic days were utilized to estimate the annual energy consumption of structures within an LCME relative to similar structures exposed to the exterior environment. The relative annual energy savings for summer-dominated climates was estimated to be approx. 70%. The energy savings for a winter-dominated climate LCME were estimated to be somewhat smaller but the LCME concept could offer significant benefits for agricultural applications for this type of climate.

  14. Development of Residential Prototype Building Models and Analysis System for Large-Scale Energy Efficiency Studies Using EnergyPlus

    SciTech Connect (OSTI)

    Mendon, Vrushali V.; Taylor, Zachary T.

    2014-09-10

    ABSTRACT: Recent advances in residential building energy efficiency and codes have resulted in increased interest in detailed residential building energy models using the latest energy simulation software. One of the challenges of developing residential building models to characterize new residential building stock is to allow for flexibility to address variability in house features like geometry, configuration, HVAC systems etc. Researchers solved this problem in a novel way by creating a simulation structure capable of creating fully-functional EnergyPlus batch runs using a completely scalable residential EnergyPlus template system. This system was used to create a set of thirty-two residential prototype building models covering single- and multifamily buildings, four common foundation types and four common heating system types found in the United States (US). A weighting scheme with detailed state-wise and national weighting factors was designed to supplement the residential prototype models. The complete set is designed to represent a majority of new residential construction stock. The entire structure consists of a system of utility programs developed around the core EnergyPlus simulation engine to automate the creation and management of large-scale simulation studies with minimal human effort. The simulation structure and the residential prototype building models have been used for numerous large-scale studies, one of which is briefly discussed in this paper.

  15. Using calibrated engineering models to predict energy savings in large-scale geothermal heat pump projects

    SciTech Connect (OSTI)

    Shonder, J.A.; Hughes, P.J.; Thornton, J.W.

    1998-10-01

    Energy savings performance contracting (ESPC) is now receiving greater attention as a means of implementing large-scale energy conservation projects in housing. Opportunities for such projects exist for military housing, federally subsidized low-income housing, and planned communities (condominiums, townhomes, senior centers), to name a few. Accurate prior (to construction) estimates of the energy savings in these projects reduce risk, decrease financing costs, and help avoid post-construction disputes over performance contract baseline adjustments. This paper demonstrates an improved method of estimating energy savings before construction takes place. Using an engineering model calibrated to pre-construction energy-use data collected in the field, this method is able to predict actual energy savings to a high degree of accuracy. This is verified with post-construction energy-use data from a geothermal heat pump ESPC at Fort Polk, Louisiana. This method also allows determination of the relative impact of the various energy conservation measures installed in a comprehensive energy conservation project. As an example, the breakout of savings at Fort Polk for the geothermal heat pumps, desuperheaters, lighting retrofits, and low-flow hot water outlets is provided.

  16. Using Calibrated Engineering Models To Predict Energy Savings In Large-Scale Geothermal Heat Pump Projects

    SciTech Connect (OSTI)

    Shonder, John A; Hughes, Patrick; Thornton, Jeff W.

    1998-01-01

    Energy savings performance contracting (ESPC) is now receiving greater attention as a means of implementing large-scale energy conservation projects in housing. Opportunities for such projects exist for military housing, federally subsidized low-income housing, and planned communities (condominiums, townhomes, senior centers), to name a few. Accurate prior (to construction) estimates of the energy savings in these projects reduce risk, decrease financing costs, and help avoid post-construction disputes over performance contract baseline adjustments. This paper demonstrates an improved method of estimating energy savings before construction takes place. Using an engineering model calibrated to pre-construction energy-use data collected in the field, this method is able to predict actual energy savings to a high degree of accuracy. This is verified with post-construction energy-use data from a geothermal heat pump ESPC at Fort Polk, Louisiana. This method also allows determination of the relative impact of the various energy conservation measures installed in a comprehensive energy conservation project. As an example, the breakout of savings at Fort Polk for the geothermal heat pumps, desuperheaters, lighting retrofits, and low-flow hot water outlets is provided.

  17. Potential energy savings with exterior shades in large office buildings and the impact of discomfort glare

    SciTech Connect (OSTI)

    Hoffmann, Sabine; Lee, Eleanor

    2015-04-01

    Exterior shades are highly efficient for reducing solar load in commercial buildings. Their impact on net energy use depends on the annual energy balance of heating, cooling, fan and lighting energy. This paper discusses the overall energy use intensity of various external shading systems for a prototypical large office building split into the different types of energy use and for different orientations and window sizes. Lighting energy was calculated for a constant lighting power as well as for dimmed lighting fixtures (daylighting control). In Section 3, slat angles and solar cut-off angles were varied for fixed exterior slat shading systems. While the most light-blocking shades performed best for the case without daylighting controls, the optimum cut-off angle with daylighting controls was found to be 30 deg for the office building prototype used in Chicago and Houston. For large window-to-wall (WWR) ratios, window related annual energy use could be reduced by at least 70 % without daylighting control and by a minimum of 86 % with daylighting control in average over all orientations. The occurrence of discomfort glare was is considered in Section 4 of the paper, which looks at the performance of commercially available exterior shading systems when an interior shade is used in addition to the exterior shade during hours when occupants would experience discomfort glare. Glare control impacts overall energy use intensity significantly for exterior shades with high transmittance, especially when daylighting controls are used. In these cases, exterior shades are only beneficial for window-to-wall areas ≥ 45% in the hot Houston climate. For smaller windows and in a heating/cooling climate like Chicago, exterior shades can increase energy consumption

  18. Energy Savings Modeling of Standard Commercial Building Re-tuning Measures: Large Office Buildings

    SciTech Connect (OSTI)

    Fernandez, Nicholas; Katipamula, Srinivas; Wang, Weimin; Huang, Yunzhi; Liu, Guopeng

    2012-06-01

    Today, many large commercial buildings use sophisticated building automation systems (BASs) to manage a wide range of building equipment. While the capabilities of BASs have increased over time, many buildings still do not fully use the BAS's capabilities and are not properly commissioned, operated or maintained, which leads to inefficient operation, increased energy use, and reduced lifetimes of the equipment. This report investigates the energy savings potential of several common HVAC system retuning measures on a typical large office building prototype model, using the Department of Energy's building energy modeling software, EnergyPlus. The baseline prototype model uses roughly as much energy as an average large office building in existing building stock, but does not utilize any re-tuning measures. Individual re-tuning measures simulated against this baseline include automatic schedule adjustments, damper minimum flow adjustments, thermostat adjustments, as well as dynamic resets (set points that change continuously with building and/or outdoor conditions) to static pressure, supply air temperature, condenser water temperature, chilled and hot water temperature, and chilled and hot water differential pressure set points. Six combinations of these individual measures have been formulated - each designed to conform to limitations to implementation of certain individual measures that might exist in typical buildings. All of these measures and combinations were simulated in 16 cities representative of specific U.S. climate zones. The modeling results suggest that the most effective energy savings measures are those that affect the demand-side of the building (air-systems and schedules). Many of the demand-side individual measures were capable of reducing annual HVAC system energy consumption by over 20% in most cities that were modeled. Supply side measures affecting HVAC plant conditions were only modestly successful (less than 5% annual HVAC energy savings for

  19. Behavioral Initiatives for Energy Efficiency: Large-Scale Energy Reductions through Sensors, Feedback & Information Technology

    SciTech Connect (OSTI)

    2010-01-12

    Broad Funding Opportunity Announcement Project: A team of researchers from more than 10 departments at Stanford University is collaborating to transform the way Americans interact with our energy-use data. The team built a web-based platform that collects historical electricity data which it uses to perform a variety of experiments to learn what triggers people to respond. Experiments include new financial incentives, a calculator to understand the potential savings of efficient appliances, new Facebook interface designs, communication studies using Twitter, and educational programs with the Girl Scouts. Economic modeling is underway to better understand how results from the San Francisco Bay Area can be broadened to other parts of the country.

  20. Large Hybrid Energy Systems for Making Low CO2 Load-Following Power and Synthetic Fuel

    SciTech Connect (OSTI)

    Robert S. Cherry; Richard D. Boardman; Steven Aumeier

    2012-02-01

    Hybrid energy systems using nuclear heat sources can economically produce load-following electrical power by exploiting the surplus generation capacity available at night or seasonally to make synthetic fuel. Vehicle fuel is the only current energy use large enough to absorb all the energy capacity that might be diverted from the power industry, and its ease of storage obviates problems with discontinuous synfuel production. The potential benefits and challenges of synfuels integration are illustrated by the production of methanol from natural gas (as a source of carbon) using steam from a light water nuclear power reactor which is assumed to be available in accord with a year's worth of power demand data. Methanol's synthesis process is easily adapted to using 300 C heat from a light water reactor and this simple compound can be further processed into gasoline, biodiesel, or dimethyl ether, fuels which can be used with the current vehicle fleet. A supplemental feed to the methanol process of natural gas (for energy) allows operation at constant full rate when the nuclear heat is being used to produce electrical power. The higher capital costs of such a system are offset by a lower cost of heat and power production from a large base load type of plant and by reduced costs associated with much lower CO2 emissions. Other less tangible economic benefits of this and similar hybrid systems include better use of natural resource for fuels and greater energy services security from the domestic production of vehicle fuel.

  1. Free energy of RNA-counterion interactions in a tight-binding model computed by a discrete space mapping

    SciTech Connect (OSTI)

    Henke, Paul S.; Mak, Chi H.

    2014-08-14

    The thermodynamic stability of a folded RNA is intricately tied to the counterions and the free energy of this interaction must be accounted for in any realistic RNA simulations. Extending a tight-binding model published previously, in this paper we investigate the fundamental structure of charges arising from the interaction between small functional RNA molecules and divalent ions such as Mg{sup 2+} that are especially conducive to stabilizing folded conformations. The characteristic nature of these charges is utilized to construct a discretely connected energy landscape that is then traversed via a novel application of a deterministic graph search technique. This search method can be incorporated into larger simulations of small RNA molecules and provides a fast and accurate way to calculate the free energy arising from the interactions between an RNA and divalent counterions. The utility of this algorithm is demonstrated within a fully atomistic Monte Carlo simulation of the P4-P6 domain of the Tetrahymena group I intron, in which it is shown that the counterion-mediated free energy conclusively directs folding into a compact structure.

  2. The ? infrared search for extraterrestrial civilizations with large energy supplies. I. Background and justification

    SciTech Connect (OSTI)

    Wright, J. T.; Mullan, B.; Sigurdsson, S.; Povich, M. S.

    2014-09-01

    We motivate the ? infrared search for extraterrestrial civilizations with large energy supplies. We discuss some philosophical difficulties of the search for extraterrestrial intelligence (SETI), and how communication SETI circumvents them. We review 'Dysonian SETI', the search for artifacts of alien civilizations, and find that it is highly complementary to traditional communication SETI; the two together might succeed where either one alone has not. We discuss the argument of Hart that spacefaring life in the Milky Way should be either galaxy-spanning or non-existent, and examine a portion of his argument that we call the 'monocultural fallacy'. We discuss some rebuttals to Hart that invoke sustainability and predict long Galaxy colonization timescales. We find that the maximum Galaxy colonization timescale is actually much shorter than previous work has found (<10{sup 9} yr), and that many 'sustainability' counter-arguments to Hart's thesis suffer from the monocultural fallacy. We extend Hart's argument to alien energy supplies and argue that detectably large energy supplies can plausibly be expected to exist because life has the potential for exponential growth until checked by resources or other limitations, and intelligence implies the ability to overcome such limitations. As such, if Hart's thesis is correct, then searches for large alien civilizations in other galaxies may be fruitful; if it is incorrect, then searches for civilizations within the Milky Way are more likely to succeed than Hart argued. We review some past Dysonian SETI efforts and discuss the promise of new mid-infrared surveys, such as that of WISE.

  3. Measuring and tuning energy efficiency on large scale high performance computing platforms.

    SciTech Connect (OSTI)

    Laros, James H., III

    2011-08-01

    Recognition of the importance of power in the field of High Performance Computing, whether it be as an obstacle, expense or design consideration, has never been greater and more pervasive. While research has been conducted on many related aspects, there is a stark absence of work focused on large scale High Performance Computing. Part of the reason is the lack of measurement capability currently available on small or large platforms. Typically, research is conducted using coarse methods of measurement such as inserting a power meter between the power source and the platform, or fine grained measurements using custom instrumented boards (with obvious limitations in scale). To collect the measurements necessary to analyze real scientific computing applications at large scale, an in-situ measurement capability must exist on a large scale capability class platform. In response to this challenge, we exploit the unique power measurement capabilities of the Cray XT architecture to gain an understanding of power use and the effects of tuning. We apply these capabilities at the operating system level by deterministically halting cores when idle. At the application level, we gain an understanding of the power requirements of a range of important DOE/NNSA production scientific computing applications running at large scale (thousands of nodes), while simultaneously collecting current and voltage measurements on the hosting nodes. We examine the effects of both CPU and network bandwidth tuning and demonstrate energy savings opportunities of up to 39% with little or no impact on run-time performance. Capturing scale effects in our experimental results was key. Our results provide strong evidence that next generation large-scale platforms should not only approach CPU frequency scaling differently, but could also benefit from the capability to tune other platform components, such as the network, to achieve energy efficient performance.

  4. Biomass Energy for Transport and Electricity: Large scale utilization under low CO2 concentration scenarios

    SciTech Connect (OSTI)

    Luckow, Patrick; Wise, Marshall A.; Dooley, James J.; Kim, Son H.

    2010-01-25

    This paper examines the potential role of large scale, dedicated commercial biomass energy systems under global climate policies designed to stabilize atmospheric concentrations of CO2 at 400ppm and 450ppm. We use an integrated assessment model of energy and agriculture systems to show that, given a climate policy in which terrestrial carbon is appropriately valued equally with carbon emitted from the energy system, biomass energy has the potential to be a major component of achieving these low concentration targets. The costs of processing and transporting biomass energy at much larger scales than current experience are also incorporated into the modeling. From the scenario results, 120-160 EJ/year of biomass energy is produced by midcentury and 200-250 EJ/year by the end of this century. In the first half of the century, much of this biomass is from agricultural and forest residues, but after 2050 dedicated cellulosic biomass crops become the dominant source. A key finding of this paper is the role that carbon dioxide capture and storage (CCS) technologies coupled with commercial biomass energy can play in meeting stringent emissions targets. Despite the higher technology costs of CCS, the resulting negative emissions used in combination with biomass are a very important tool in controlling the cost of meeting a target, offsetting the venting of CO2 from sectors of the energy system that may be more expensive to mitigate, such as oil use in transportation. The paper also discusses the role of cellulosic ethanol and Fischer-Tropsch biomass derived transportation fuels and shows that both technologies are important contributors to liquid fuels production, with unique costs and emissions characteristics. Through application of the GCAM integrated assessment model, it becomes clear that, given CCS availability, bioenergy will be used both in electricity and transportation.

  5. Study of lysozyme mobility and binding free energy during adsorption on a graphene surface

    SciTech Connect (OSTI)

    Nakano, C. Masato; Ma, Heng; Wei, Tao

    2015-04-13

    Understanding protein adsorption is a key to the development of biosensors and anti-biofouling materials. Hydration essentially controls the adsorption process on hydrophobic surfaces, but its effect is complicated by various factors. Here, we present an ideal model system to isolate hydration effects—lysozyme adsorption on a flat hydrophobic graphene surface. Our all-atom molecular dynamics and molecular-mechanics/Poisson-Boltzmann surface area computation study reveal that lysozyme on graphene displays much larger diffusivity than in bulk water. Protein's hydration free energy within the first hydration shell is dominated by the protein-water electrostatic interactions and acts as an energy barrier for protein adsorption. On the other hand, the surface tension, especially that from the hydrophobic graphene, can effectively weaken the barrier to promote adsorption.

  6. Optimizing Cluster Heads for Energy Efficiency in Large-Scale Heterogeneous Wireless Sensor Networks

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

    Gu, Yi; Wu, Qishi; Rao, Nageswara S. V.

    2010-01-01

    Many complex sensor network applications require deploying a large number of inexpensive and small sensors in a vast geographical region to achieve quality through quantity. Hierarchical clustering is generally considered as an efficient and scalable way to facilitate the management and operation of such large-scale networks and minimize the total energy consumption for prolonged lifetime. Judicious selection of cluster heads for data integration and communication is critical to the success of applications based on hierarchical sensor networks organized as layered clusters. We investigate the problem of selecting sensor nodes in a predeployed sensor network to be the cluster headsmore » to minimize the total energy needed for data gathering. We rigorously derive an analytical formula to optimize the number of cluster heads in sensor networks under uniform node distribution, and propose a Distance-based Crowdedness Clustering algorithm to determine the cluster heads in sensor networks under general node distribution. The results from an extensive set of experiments on a large number of simulated sensor networks illustrate the performance superiority of the proposed solution over the clustering schemes based on k -means algorithm.« less

  7. ISSUANCE 2015-07-27: Energy Conservation Program: Test Procedures for Small, Large, and Very Large Air-Cooled Commercial Package Air Conditioning and Heating Equipment, Notice of Proposed Rulemaking

    Office of Energy Efficiency and Renewable Energy (EERE)

    Energy Conservation Program: Test Procedures for Small, Large, and Very Large Air-Cooled Commercial Package Air Conditioning and Heating Equipment, Notice of Proposed Rulemaking

  8. Structural dynamics and ssDNA binding activity of the three N-terminal domains of the large subunit of Replication Protein A from small angle X-ray scattering

    SciTech Connect (OSTI)

    Pretto, Dalyir I.; Tsutakawa, Susan; Brosey, Chris A.; Castillo, Amalchi; Chagot, Marie-Eve; Smith, Jarrod A.; Tainer, John A.; Chazin, Walter J.

    2010-03-11

    Replication Protein A (RPA) is the primary eukaryotic ssDNA binding protein utilized in diverse DNA transactions in the cell. RPA is a heterotrimeric protein with seven globular domains connected by flexible linkers, which enable substantial inter-domain motion that is essential to its function. Small angle X-ray scattering (SAXS) experiments on two multi-domain constructs from the N-terminus of the large subunit (RPA70) were used to examine the structural dynamics of these domains and their response to the binding of ssDNA. The SAXS data combined with molecular dynamics simulations reveal substantial interdomain flexibility for both RPA70AB (the tandem high affinity ssDNA binding domains A and B connected by a 10-residue linker) and RPA70NAB (RPA70AB extended by a 70-residue linker to the RPA70N protein interaction domain). Binding of ssDNA to RPA70NAB reduces the interdomain flexibility between the A and B domains, but has no effect on RPA70N. These studies provide the first direct measurements of changes in orientation of these three RPA domains upon binding ssDNA. The results support a model in which RPA70N remains structurally independent of RPA70AB in the DNA bound state and therefore freely available to serve as a protein recruitment module.

  9. United States Department of Energy large commercial absorption chiller development program

    SciTech Connect (OSTI)

    Garland, P.W.; DeVault, R.C.; Zaltash, A.

    1998-11-01

    The US Department of Energy (DOE) is working with partners from the gas cooling industry to improve energy efficiency and US competitiveness by using advanced absorption technologies that eliminate the use of chlorofluorocarbons (CFCs) and hydrochlorofluorocarbons (HCFCs), refrigerants that contribute to ozone depletion and global warming. Absorption cooling uses natural gas as the heat source, which produces much lower NO{sub x} emissions than oil- or coal-generated electricity. Gas-fired chillers also have the advantage of helping reduce peak electrical usage during summer months. To assist industry in developing advanced absorption cooling technologies, DOE sponsors the Large Commercial Chiller Development Program. The goal of the program is to improve chiller cooling efficiency by 30--50% compared with the best currently available absorption systems.

  10. Search for squarks and gluinos in events containing jets and a large imbalance in transverse energy

    SciTech Connect (OSTI)

    Abbott, B.; Abolins, M.; Abramov, V.; Acharya, B.S.; Adam, I.; Adams, D.L.; Adams, M.; Ahn, S.; Alves, G.A.; Amos, N.; Anderson, E.W.; Baarmand, M.M.; Babintsev, V.V.; Babukhadia, Levan R.; Baden, A.; Baldin, B.; Banerjee, S.; Bantly, J.; Barberis, E.; Baringer, P.; Bartlett, J.F.; /Buenos Aires U. /Rio de Janeiro, CBPF /Rio de Janeiro State U. /Andes U., Bogota /DAPNIA, Saclay /Panjab U. /Delhi U. /Tata Inst. /Kyungsung U. /Seoul Natl. U. /CINVESTAV, IPN /Cracow, INP /Moscow, ITEP /Moscow State U. /Serpukhov, IHEP /Arizona U. /LBL, Berkeley /UC, Berkeley /UC, Davis /UC, Irvine /UC, Riverside

    1999-02-01

    Using data corresponding to an integrated luminosity of 79 pb{sup -1}, D0 has searched for events containing multiple jets and large missing transverse energy in p{bar p} collisions at {radical}s = 1.8 TeV at the Fermilab Tevatron collider. Observing no significant excess beyond what is expected from the standard model, they set limits on the masses of squarks and gluinos and on the model parameters m{sub 0} and m{sub 1/2}, in the framework of the minimal low-energy supergravity models of supersymmetry. For tan {beta} = 2 and A{sub 0} = 0, with {mu} < 0, they exclude all models with m{sub q} {approx} < 250 GeV/c{sup 2}. For models with equal squark and gluino masses, they exclude m < 260 GeV/c{sup 2}.

  11. Large-scale biomass for energy, with considerations and cautions: an editorial comment

    SciTech Connect (OSTI)

    Marland, Gregg; Obersteiner, Michael

    2008-04-01

    Greenhouse gas abatement policies will increase the demand for renewable sources of energy, including bioenergy. In combination with a global growing demand for food, this could lead to a food-fuel competition for bio-productive land. Proponents of bioenergy have suggested that energy crop plantations may be established on less productive land as a way of avoiding this potential food-fuel competition. However, many of these suggestions have been made without any underlying economic analysis. In this paper, we develop a long-term economic optimization model (LUCEA) of the U.S. agricultural and energy system to analyze this possible competition for land and to examine the link between carbon prices, the energy system dynamics and the effect of the land competition on food prices. Our results indicate that bioenergy plantations will be competitive on cropland already at carbon taxes about US $20/ton C. As the carbon tax increases, food prices more than double compared to the reference scenario in which there is no climate policy. Further, bioenergy plantations appropriate significant areas of both cropland and grazing land. In model runs where we have limited the amount of grazing land that can be used for bioenergy to what many analysts consider the upper limit, most of the bioenergy plantations are established on cropland. Under the assumption that more grazing land can be used, large areas of bioenergy plantations are established on grazing land, despite the fact that yields are assumed to be much lower (less than half) than on crop land. It should be noted that this allocation on grazing land takes place as a result of a competition between food and bioenergy production and not because of lack of it. The estimated increase in food prices is largely unaffected by how much grazing land can be used for bioenergy production.

  12. In-Flight Measurement of the Absolute Energy Scale of the Fermi Large Area Telescope

    SciTech Connect (OSTI)

    Ackermann, M.; Ajello, M.; Allafort, A.; Atwood, W.B.; Axelsson, M.; Baldini, L.; Barbiellini, G.; Bastieri, D.; Bechtol, K.; Bellazzini, R.; Berenji, B.; Bloom, E.D.; Bonamente, E.; Borgland, A.W.; Bouvier, A.; Bregeon, J.; Brez, A.; Brigida, M.; Bruel, P.; Buehler, R.; Buson, S.; /more authors..

    2012-09-20

    The Large Area Telescope (LAT) on-board the Fermi Gamma-ray Space Telescope is a pair-conversion telescope designed to survey the gamma-ray sky from 20 MeV to several hundreds of GeV. In this energy band there are no astronomical sources with sufficiently well known and sharp spectral features to allow an absolute calibration of the LAT energy scale. However, the geomagnetic cutoff in the cosmic ray electron-plus-positron (CRE) spectrum in low Earth orbit does provide such a spectral feature. The energy and spectral shape of this cutoff can be calculated with the aid of a numerical code tracing charged particles in the Earth's magnetic field. By comparing the cutoff value with that measured by the LAT in different geomagnetic positions, we have obtained several calibration points between {approx}6 and {approx}13 GeV with an estimated uncertainty of {approx}2%. An energy calibration with such high accuracy reduces the systematic uncertainty in LAT measurements of, for example, the spectral cutoff in the emission from gamma ray pulsars.

  13. A High-Performance Rechargeable Iron Electrode for Large-Scale Battery-Based Energy Storage

    SciTech Connect (OSTI)

    Manohar, AK; Malkhandi, S; Yang, B; Yang, C; Prakash, GKS; Narayanan, SR

    2012-01-01

    Inexpensive, robust and efficient large-scale electrical energy storage systems are vital to the utilization of electricity generated from solar and wind resources. In this regard, the low cost, robustness, and eco-friendliness of aqueous iron-based rechargeable batteries are particularly attractive and compelling. However, wasteful evolution of hydrogen during charging and the inability to discharge at high rates have limited the deployment of iron-based aqueous batteries. We report here new chemical formulations of the rechargeable iron battery electrode to achieve a ten-fold reduction in the hydrogen evolution rate, an unprecedented charging efficiency of 96%, a high specific capacity of 0.3 Ah/g, and a twenty-fold increase in discharge rate capability. We show that modifying high-purity carbonyl iron by in situ electro-deposition of bismuth leads to substantial inhibition of the kinetics of the hydrogen evolution reaction. The in situ formation of conductive iron sulfides mitigates the passivation by iron hydroxide thereby allowing high discharge rates and high specific capacity to be simultaneously achieved. These major performance improvements are crucial to advancing the prospect of a sustainable large-scale energy storage solution based on aqueous iron-based rechargeable batteries. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.034208jes] All rights reserved.

  14. Correlating the hydrogen evolution reaction activity in alkaline electrolytes with the hydrogen binding energy on monometallic surfaces

    SciTech Connect (OSTI)

    Sheng, WC; Myint, M; Chen, JGG; Yan, YS

    2013-05-01

    The slow reaction kinetics of the hydrogen evolution and oxidation reactions (HER/HOR) on platinum in alkaline electrolytes hinders the development of alkaline electrolysers, solar hydrogen cells and alkaline fuel cells. A fundamental understanding of the exchange current density of the HER/HOR in alkaline media is critical for the search and design of highly active electrocatalysts. By studying the HER on a series of monometallic surfaces, we demonstrate that the HER exchange current density in alkaline solutions can be correlated with the calculated hydrogen binding energy (HBE) on the metal surfaces via a volcano type of relationship. The HER activity varies by several orders of magnitude from Pt at the peak of the plot to W and Au located on the bottom of each side of the plot, similar to the observation in acids. Such a correlation suggests that the HBE can be used as a descriptor for identifying electrocatalysts for HER/HOR in alkaline media, and that the HER exchange current density can be tuned by modifying the surface chemical properties.

  15. Vehicle Technologies Office Merit Review 2014: Development of Large Format Lithium Ion Cells with Higher Energy Density

    Broader source: Energy.gov [DOE]

    Presentation given by XALT Energy LLC at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about development of large format...

  16. Large doppler shift in radar detection of ultra-high energy cosmic rays.

    SciTech Connect (OSTI)

    Underwood, D. G.; High Energy Physics

    2008-01-01

    Radar detection of cosmic ray air showers has been discussed for 60 years, but never clearly observed. The topic was reexamined by Gorham in 2001 and some serious simulations were done by Takai, who also initiated the Mariachi project utilizing commercial television transmissions as a signal source. The air showers from ultra-high energy cosmic rays are expected to generate a plasma with plasma frequency in the high VHF region. One factor limiting the received signal strength is the short ion recombination time in air at low altitude. However, a major factor which has not been the center of attention so far is the possible large Doppler shifts for non-specular reflection, and the soft transition between specular and diffuse for small objects and short time scales. We discuss recent work on receivers, and simulations of the Doppler shift. These simulations assume a very short ion recombination time in the lower atmosphere, and use an extremely simple mathematical model. A central feature of our simulations is large Doppler shift from non-moving material.

  17. NV Energy Large-Scale Photovoltaic Integration Study: Intra-Hour Dispatch and AGC Simulation

    SciTech Connect (OSTI)

    Lu, Shuai; Etingov, Pavel V.; Meng, Da; Guo, Xinxin; Jin, Chunlian; Samaan, Nader A.

    2013-01-02

    The uncertainty and variability with photovoltaic (PV) generation make it very challenging to balance power system generation and load, especially under high penetration cases. Higher reserve requirements and more cycling of conventional generators are generally anticipated for large-scale PV integration. However, whether the existing generation fleet is flexible enough to handle the variations and how well the system can maintain its control performance are difficult to predict. The goal of this project is to develop a software program that can perform intra-hour dispatch and automatic generation control (AGC) simulation, by which the balancing operations of a system can be simulated to answer the questions posed above. The simulator, named Electric System Intra-Hour Operation Simulator (ESIOS), uses the NV Energy southern system as a study case, and models the system’s generator configurations, AGC functions, and operator actions to balance system generation and load. Actual dispatch of AGC generators and control performance under various PV penetration levels can be predicted by running ESIOS. With data about the load, generation, and generator characteristics, ESIOS can perform similar simulations and assess variable generation integration impacts for other systems as well. This report describes the design of the simulator and presents the study results showing the PV impacts on NV Energy real-time operations.

  18. Plasma response to electron energy filter in large volume plasma device

    SciTech Connect (OSTI)

    Sanyasi, A. K.; Awasthi, L. M.; Mattoo, S. K.; Srivastava, P. K.; Singh, S. K.; Singh, R.; Kaw, P. K. [Institute for Plasma Research, Gandhinagar, 382 428 Gujarat (India)] [Institute for Plasma Research, Gandhinagar, 382 428 Gujarat (India)

    2013-12-15

    An electron energy filter (EEF) is embedded in the Large Volume Plasma Device plasma for carrying out studies on excitation of plasma turbulence by a gradient in electron temperature (ETG) described in the paper of Mattoo et al. [S. K. Mattoo et al., Phys. Rev. Lett. 108, 255007 (2012)]. In this paper, we report results on the response of the plasma to the EEF. It is shown that inhomogeneity in the magnetic field of the EEF switches on several physical phenomena resulting in plasma regions with different characteristics, including a plasma region free from energetic electrons, suitable for the study of ETG turbulence. Specifically, we report that localized structures of plasma density, potential, electron temperature, and plasma turbulence are excited in the EEF plasma. It is shown that structures of electron temperature and potential are created due to energy dependence of the electron transport in the filter region. On the other hand, although structure of plasma density has origin in the particle transport but two distinct steps of the density structure emerge from dominance of collisionality in the source-EEF region and of the Bohm diffusion in the EEF-target region. It is argued and experimental evidence is provided for existence of drift like flute Rayleigh-Taylor in the EEF plasma.

  19. Large Scale Computing and Storage Requirements for Basic Energy Sciences Research

    SciTech Connect (OSTI)

    Gerber, Richard; Wasserman, Harvey

    2011-03-31

    The National Energy Research Scientific Computing Center (NERSC) is the leading scientific computing facility supporting research within the Department of Energy's Office of Science. NERSC provides high-performance computing (HPC) resources to approximately 4,000 researchers working on about 400 projects. In addition to hosting large-scale computing facilities, NERSC provides the support and expertise scientists need to effectively and efficiently use HPC systems. In February 2010, NERSC, DOE's Office of Advanced Scientific Computing Research (ASCR) and DOE's Office of Basic Energy Sciences (BES) held a workshop to characterize HPC requirements for BES research through 2013. The workshop was part of NERSC's legacy of anticipating users future needs and deploying the necessary resources to meet these demands. Workshop participants reached a consensus on several key findings, in addition to achieving the workshop's goal of collecting and characterizing computing requirements. The key requirements for scientists conducting research in BES are: (1) Larger allocations of computational resources; (2) Continued support for standard application software packages; (3) Adequate job turnaround time and throughput; and (4) Guidance and support for using future computer architectures. This report expands upon these key points and presents others. Several 'case studies' are included as significant representative samples of the needs of science teams within BES. Research teams scientific goals, computational methods of solution, current and 2013 computing requirements, and special software and support needs are summarized in these case studies. Also included are researchers strategies for computing in the highly parallel, 'multi-core' environment that is expected to dominate HPC architectures over the next few years. NERSC has strategic plans and initiatives already underway that address key workshop findings. This report includes a brief summary of those relevant to issues

  20. Search for large extra dimensions in the exclusive photon + missing energy channel in p anti-p collisions

    SciTech Connect (OSTI)

    Lazoflores, Jose A.; /Florida State U.

    2006-04-01

    A search was conducted for evidence of large extra dimensions (LED) at Fermi National Accelerator Laboratory's Tevatron using the D0 detector. The Tevatron is a p{bar p} collider at a center of mass energy of 1.96 TeV. Events with particles escaping into extra dimensions will have large missing energy. The search was carried out using data from a total luminosity of 197 {+-} 13 pb{sup -1} with an observable high transverse momentum photon and a large transverse missing energy. The 70 observed events are consistent with photons produced by standard known reactions plus other background processes produced by cosmic muons. The mass limits on the fundamental mass scale at 95% confidence level for large extra dimensions of 2, 4, 6 and 8 are 500 GeV, 581 GeV, 630 GeV, and 668 GeV respectively.

  1. Trends in Data Center Design - ASHRAE Leads the Way to Large Energy Savings (Presentation)

    SciTech Connect (OSTI)

    Van Geet, O.

    2013-06-01

    Energy savings strategies for data centers are described, including best practices, ASHRAE standards, and examples of successful strategies for incorporating energy savings.

  2. Impact of Large Scale Energy Efficiency Programs On Consumer Tariffs and Utility Finances in India

    SciTech Connect (OSTI)

    Abhyankar, Nikit; Phadke, Amol

    2011-01-20

    Large-scale EE programs would modestly increase tariffs but reduce consumers' electricity bills significantly. However, the primary benefit of EE programs is a significant reduction in power shortages, which might make these programs politically acceptable even if tariffs increase. To increase political support, utilities could pursue programs that would result in minimal tariff increases. This can be achieved in four ways: (a) focus only on low-cost programs (such as replacing electric water heaters with gas water heaters); (b) sell power conserved through the EE program to the market at a price higher than the cost of peak power purchase; (c) focus on programs where a partial utility subsidy of incremental capital cost might work and (d) increase the number of participant consumers by offering a basket of EE programs to fit all consumer subcategories and tariff tiers. Large scale EE programs can result in consistently negative cash flows and significantly erode the utility's overall profitability. In case the utility is facing shortages, the cash flow is very sensitive to the marginal tariff of the unmet demand. This will have an important bearing on the choice of EE programs in Indian states where low-paying rural and agricultural consumers form the majority of the unmet demand. These findings clearly call for a flexible, sustainable solution to the cash-flow management issue. One option is to include a mechanism like FAC in the utility incentive mechanism. Another sustainable solution might be to have the net program cost and revenue loss built into utility's revenue requirement and thus into consumer tariffs up front. However, the latter approach requires institutionalization of EE as a resource. The utility incentive mechanisms would be able to address the utility disincentive of forgone long-run return but have a minor impact on consumer benefits. Fundamentally, providing incentives for EE programs to make them comparable to supply-side investments is a way

  3. A membrane-free lithium/polysulfide semi-liquid battery for large-scale energy storage

    SciTech Connect (OSTI)

    Yang, Yuan; Zheng, Guangyuan; Cui, Yi

    2013-01-01

    Large-scale energy storage represents a key challenge for renewable energy and new systems with low cost, high energy density and long cycle life are desired. In this article, we develop a new lithium/polysulfide (Li/PS) semi-liquid battery for large-scale energy storage, with lithium polysulfide (Li{sub 2}S{sub 8}) in ether solvent as a catholyte and metallic lithium as an anode. Unlike previous work on Li/S batteries with discharge products such as solid state Li{sub 2}S{sub 2} and Li{sub 2}S, the catholyte is designed to cycle only in the range between sulfur and Li{sub 2}S{sub 4}. Consequently all detrimental effects due to the formation and volume expansion of solid Li{sub 2}S{sub 2}/Li{sub 2}S are avoided. This novel strategy results in excellent cycle life and compatibility with flow battery design. The proof-of-concept Li/PS battery could reach a high energy density of 170 W h kg{sup -1} and 190 W h L{sup -1} for large scale storage at the solubility limit, while keeping the advantages of hybrid flow batteries. We demonstrated that, with a 5 M Li{sub 2}S{sub 8} catholyte, energy densities of 97 W h kg{sup -1} and 108 W h L{sup -1} can be achieved. As the lithium surface is well passivated by LiNO{sub 3} additive in ether solvent, internal shuttle effect is largely eliminated and thus excellent performance over 2000 cycles is achieved with a constant capacity of 200 mA h g{sup -1}. This new system can operate without the expensive ion-selective membrane, and it is attractive for large-scale energy storage.

  4. Energy Landscape for the Interaction of the Family 1 Carbohydrate-Binding Module and the Cellulose Surface is Altered by Hydrolyzed Glycosidic Bonds

    SciTech Connect (OSTI)

    Bu, L.; Beckham, G. T.; Crowley, M. F.; Chang, C. H.; Matthews, J. F.; Bomble, Y. J.; Adney, W. S.; Himmel, M. E.; Nimlos, M. R.

    2009-01-01

    A multiscale simulation model is used to construct potential and free energy surfaces for the carbohydrate-binding module [CBM] from an industrially important cellulase, Trichoderma reesei cellobiohydrolase I, on the hydrophobic face of a coarse-grained cellulose I{beta} polymorph. We predict from computation that the CBM alone exhibits regions of stability on the hydrophobic face of cellulose every 5 and 10 {angstrom}, corresponding to a glucose unit and a cellobiose unit, respectively. In addition, we predict a new role for the CBM: specifically, that in the presence of hydrolyzed cellulose chain ends, the CBM exerts a thermodynamic driving force to translate away from the free cellulose chain ends. This suggests that the CBM is not only required for binding to cellulose, as has been known for two decades, but also that it has evolved to both assist the enzyme in recognizing a cellulose chain end and exert a driving force on the enzyme during processive hydrolysis of cellulose.

  5. An electron energy loss spectrometer designed for studies of electronic energy losses and spin waves in the large momentum regime

    SciTech Connect (OSTI)

    Ibach, H.; Rajeswari, J.; Schneider, C. M.

    2011-12-15

    Based on 143 deg. electrostatic deflectors we have realized a new spectrometer for electron energy loss spectroscopy which is particularly suitable for studies on surface spin waves and other low energy electronic energy losses. Contrary to previous designs high resolution is maintained even for diffuse inelastic scattering due to a specific management of the angular aberrations in combination with an angle aperture. The performance of the instrument is demonstrated with high resolution energy loss spectra of surface spin waves on a cobalt film deposited on the Cu(100) surface.

  6. Nuclear structure effects of the nuclei {sup 152,154,156}Dy at high excitation energy and large angular momentum

    SciTech Connect (OSTI)

    Martin, V.; Egido, J.L.

    1995-06-01

    Using the finite-temperature Hartree-Fock-Bogoliubov formalism we analyze the properties of the nuclei {sup 152,154,156}Dy at the quasicontinuum region from {ital I}=0{h_bar} to 70{h_bar} and excitation energy up to approximately 16 MeV. We discuss energy gaps, shapes, moments of inertia, and entropy among others. The role of shape fluctuations is studied in the frame of classical statistics and we find large effects on several observables. A very rich structure is found in terms of excitation energy and angular momentum.

  7. Reducing Plug and Process Loads for a Large Scale, Low Energy Office Building: NREL's Research Support Facility; Preprint

    SciTech Connect (OSTI)

    Lobato, C.; Pless, S.; Sheppy, M.; Torcellini, P.

    2011-02-01

    This paper documents the design and operational plug and process load energy efficiency measures needed to allow a large scale office building to reach ultra high efficiency building goals. The appendices of this document contain a wealth of documentation pertaining to plug and process load design in the RSF, including a list of equipment was selected for use.

  8. The Design of a Large Booster Ring for the Medium Energy Electron-Ion Collider at Jlab

    SciTech Connect (OSTI)

    Edward Nissen, Todd Satogata, Yuhong Zhang

    2012-07-01

    In this paper, we present the current design of the large booster ring for the Medium energy Electron-Ion Collider at Jefferson Lab. The booster ring takes 3 GeV protons or ions of equivalent rigidity from a pre-booster ring, and accelerates them to 20 GeV for protons or equivalent energy for light to heavy ions before sending them to the ion collider ring. The present design calls for a figure-8 shape of the ring for superior preservation of ion polarization. The ring is made of warm magnets and shares a tunnel with the two collider rings. Acceleration is achieved by warm RF systems. The linear optics has been designed with the transition energy above the highest beam energy in the ring so crossing of transition energy will be avoided. Preliminary beam dynamics studies including chromaticity compensation are presented in this paper.

  9. Reducing Plug and Process Loads for a Large Scale, Low Energy...

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

    ... should use, where applicable, economizers, evaporative cooling, and waste heat recovery. ... The RSF data center uses all these efficiency measures to meet the low energy goal. ...

  10. DOE_EnergyEfficiencyStandardsForLargeVolumeWaterHeaters.pdf

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

    and information on the use of electric thermal storage water heaters in utility demand response programs, and on the impact that the energy efficiency standards established by ...

  11. A Stable Vanadium Redox-Flow Battery with High Energy Density for Large-scale Energy Storage

    SciTech Connect (OSTI)

    Li, Liyu; Kim, Soowhan; Wang, Wei; Vijayakumar, M.; Nie, Zimin; Chen, Baowei; Zhang, Jianlu; Xia, Guanguang; Hu, Jian Z.; Graff, Gordon L.; Liu, Jun; Yang, Zhenguo

    2011-05-01

    Low cost, high performance redox flow batteries are highly demanded for up to multi-megawatt levels of renewable and grid energy storage. Here, we report a new vanadium redox flow battery with a significant improvement over the current technologies. This new battery utilizes a sulfate-chloride mixed solution, which is capable of dissolving more than 2.5 M vanadium or about a 70% increase in the energy storage capacity over the current vanadium sulfate system. More importantly, the new electrolyte remains stable over a wide temperature range of -5 to 60oC, potentially eliminating the need of active heat management. Its high energy density, broad operational temperature window, and excellent electrochemical performance would lead to a significant reduction in the cost of energy storage, thus accelerating its market penetration.

  12. Energy Use Intensity and its Influence on the Integrated Daylighting Design of a Large Net Zero Energy Building: Preprint

    SciTech Connect (OSTI)

    Guglielmetti , R.; Scheib, J.; Pless, S. D.; Torcellini , P.; Petro, R.

    2011-03-01

    Net-zero energy buildings generate as much energy as they consume and are significant in the sustainable future of building design and construction. The role of daylighting (and its simulation) in the design process becomes critical. In this paper we present the process the National Renewable Energy Laboratory embarked on in the procurement, design, and construction of its newest building, the Research Support Facility (RSF) - particularly the roles of daylighting, electric lighting, and simulation. With a rapid construction schedule, the procurement, design, and construction had to be tightly integrated; with low energy use. We outline the process and measures required to manage a building design that could expect to operate at an efficiency previously unheard of for a building of this type, size, and density. Rigorous simulation of the daylighting and the electric lighting control response was a given, but the oft-ignored disconnect between lighting simulation and whole-building energy use simulation had to be addressed. The RSF project will be thoroughly evaluated for its performance for one year; preliminary data from the postoccupancy monitoring efforts will also be presented with an eye toward the current efficacy of building energy and lighting simulation.

  13. Single-Molecule Dynamics Reveals Cooperative Binding-Folding in Protein Recognition

    SciTech Connect (OSTI)

    Wang, Jin; Lu, Qiang N.; Lu, H PETER.

    2006-07-01

    The study of associations between two biomolecules is the key to understand molecular recognition and function. Molecular function is often thought to be determined by the underlying structures. Here, combining single molecule study of protein binding with an energy landscape inspired microscopic model, we found strong evidences that bio-molecular recognition is determined by flexibilities in addition to structures. Our model is based on coarse grained molecular dynamics performed on the residue level with the energy function biased towards the native binding structure (Go model). With our model, the underlying free energy landscape of the binding can be explored. Two distinct conformational states as free energy minimum, one with partially folding of CBD and significant binding of CBD to CDC42, and another with native folding of CBD and native binding of CBD to CDC42, are clearly seen. This shows the binding process proceeds with significant interface binding of CBD with CDC42 first without complete folding of CBD. Finally binding and folding are coupled with each other cooperatively to reach the native binding state. The single molecule experimental finding of the dynamic fluctuations between the loosely bound and closely bound conformational states can be identified with theoretically calculated free energy minimum and quantitatively explained in our model as a result of binding associated with large conformational changes. Theoretical predictions have identified certain key residues for binding which are consistent with mutational experiments. The combined study provides a test ground for fundamental mechanisms as well as insights into design and further explorations on biomolecular recognition with large conformational changes.

  14. U.S. Signs International Fusion Energy Agreement; Large-Scale, Clean Fusion

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

    Shale Gas and Shale Oil Plays Review of Emerging Resources: July 2011 www.eia.gov U.S. Depa rtment of Energy W ashington, DC 20585 This page inTenTionally lefT blank The information presented in this overview is based on the report Review of Emerging Resources: U.S. Shale Gas and Shale Oil Plays, which was prepared by INTEK, Inc. for the U.S. Energy Information Administration (EIA), the statistical and analytical agency within the U.S. Department of Energy. The full report is attached. By law,

  15. Ultrahigh-energy neutrino flux as a probe of large extra-dimensions

    SciTech Connect (OSTI)

    Lykken, Joseph; Mena, Olga; Razzaque, Soebur; /Penn State U., Astron. Astrophys. /Penn State U.

    2007-05-01

    A suppression in the spectrum of ultrahigh-energy (UHE, {ge} 10{sup 18} eV) neutrinos will be present in extra-dimensional scenarios, due to enhanced neutrino-antineutrino annihilation processes with the supernova relic neutrinos. In this scenario, neutrinos can not be responsible for the highest energy events observed in the UHE cosmic ray spectrum. A direct implication of these extra-dimensional interactions would be the absence of UHE neutrinos in ongoing and future neutrino telescopes.

  16. Centrality dependence of high energy jets in p+Pb collisions at energies available at the CERN Large Hadron Collider

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

    Bzdak, Adam; Skokov, Vladimir; Bathe, Stefan

    2016-04-08

    We investigate the recently measured centrality dependence of high energy jets in proton-lead collisions at the LHC. Here, we hypothesize that events with jets of very high energy (a few hundred GeV) are characterized by a suppressed number of soft particles, thus shifting these events into more peripheral bins. This naturally results in the suppression (enhancement) of the nuclear modification factor, RpA, in central (peripheral) collisions. Our calculations suggest that a moderate suppression of the order of 20%, for 103 GeV jets, can quantitatively reproduce the experimental data. Finally, we further extract the suppression factor as a function of jetmore » energy and test our conjecture using available RpA data for various centralities.« less

  17. Assessment of Vehicle Sizing, Energy Consumption and Cost Through Large Scale Simulation of Advanced Vehicle Technologies

    SciTech Connect (OSTI)

    Moawad, Ayman; Kim, Namdoo; Shidore, Neeraj; Rousseau, Aymeric

    2016-01-01

    The U.S. Department of Energy (DOE) Vehicle Technologies Office (VTO) has been developing more energy-efficient and environmentally friendly highway transportation technologies that will enable America to use less petroleum. The long-term aim is to develop "leapfrog" technologies that will provide Americans with greater freedom of mobility and energy security, while lowering costs and reducing impacts on the environment. This report reviews the results of the DOE VTO. It gives an assessment of the fuel and light-duty vehicle technologies that are most likely to be established, developed, and eventually commercialized during the next 30 years (up to 2045). Because of the rapid evolution of component technologies, this study is performed every two years to continuously update the results based on the latest state-of-the-art technologies.

  18. Scenario Development and Analysis of Hydrogen as a Large-Scale Energy Storage Medium (Presentation)

    SciTech Connect (OSTI)

    Steward, D. M.

    2009-06-10

    The conclusions from this report are: (1) hydrogen has several important advantages over competing technologies, including - very high storage energy density (170 kWh/m{sup 3} vs. 2.4 for CAES and 0.7 for pumped hydro) which allows for potential economic viability of above-ground storage and relatively low environmental impact in comparison with other technologies; and (2) the major disadvantage of hydrogen energy storage is cost but research and deployment of electrolyzers and fuel cells may reduce cost significantly.

  19. Large Scale Computing and Storage Requirements for Fusion Energy Sciences: Target 2017

    SciTech Connect (OSTI)

    Gerber, Richard

    2014-05-02

    The National Energy Research Scientific Computing Center (NERSC) is the primary computing center for the DOE Office of Science, serving approximately 4,500 users working on some 650 projects that involve nearly 600 codes in a wide variety of scientific disciplines. In March 2013, NERSC, DOE?s Office of Advanced Scientific Computing Research (ASCR) and DOE?s Office of Fusion Energy Sciences (FES) held a review to characterize High Performance Computing (HPC) and storage requirements for FES research through 2017. This report is the result.

  20. LARGE-SCALE HYDROGEN PRODUCTION FROM NUCLEAR ENERGY USING HIGH TEMPERATURE ELECTROLYSIS

    SciTech Connect (OSTI)

    James E. O'Brien

    2010-08-01

    Hydrogen can be produced from water splitting with relatively high efficiency using high-temperature electrolysis. This technology makes use of solid-oxide cells, running in the electrolysis mode to produce hydrogen from steam, while consuming electricity and high-temperature process heat. When coupled to an advanced high temperature nuclear reactor, the overall thermal-to-hydrogen efficiency for high-temperature electrolysis can be as high as 50%, which is about double the overall efficiency of conventional low-temperature electrolysis. Current large-scale hydrogen production is based almost exclusively on steam reforming of methane, a method that consumes a precious fossil fuel while emitting carbon dioxide to the atmosphere. Demand for hydrogen is increasing rapidly for refining of increasingly low-grade petroleum resources, such as the Athabasca oil sands and for ammonia-based fertilizer production. Large quantities of hydrogen are also required for carbon-efficient conversion of biomass to liquid fuels. With supplemental nuclear hydrogen, almost all of the carbon in the biomass can be converted to liquid fuels in a nearly carbon-neutral fashion. Ultimately, hydrogen may be employed as a direct transportation fuel in a hydrogen economy. The large quantity of hydrogen that would be required for this concept should be produced without consuming fossil fuels or emitting greenhouse gases. An overview of the high-temperature electrolysis technology will be presented, including basic theory, modeling, and experimental activities. Modeling activities include both computational fluid dynamics and large-scale systems analysis. We have also demonstrated high-temperature electrolysis in our laboratory at the 15 kW scale, achieving a hydrogen production rate in excess of 5500 L/hr.

  1. Lithography-free large-area metamaterials for stable thermophotovoltaic energy conversion

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

    Coppens, Zachary J.; Kravchenko, Ivan I.; Valentine, Jason G.

    2016-02-08

    A large-area metamaterial thermal emitter is fabricated using facile, lithography-free techniques. The device is composed of conductive oxides, refractory ceramics, and noble metals and shows stable, selective emission after exposure to 1173 K for 22 h in oxidizing and inert atmospheres. Lastly, the results indicate that the metamaterial can be used to achieve high-performance thermophotovoltaic devices for applications such as portable power generation.

  2. Nesting large-eddy simulations within mesoscale simulations for wind energy applications

    SciTech Connect (OSTI)

    Lundquist, J K; Mirocha, J D; Chow, F K; Kosovic, B; Lundquist, K A

    2008-09-08

    With increasing demand for more accurate atmospheric simulations for wind turbine micrositing, for operational wind power forecasting, and for more reliable turbine design, simulations of atmospheric flow with resolution of tens of meters or higher are required. These time-dependent large-eddy simulations (LES), which resolve individual atmospheric eddies on length scales smaller than turbine blades and account for complex terrain, are possible with a range of commercial and open-source software, including the Weather Research and Forecasting (WRF) model. In addition to 'local' sources of turbulence within an LES domain, changing weather conditions outside the domain can also affect flow, suggesting that a mesoscale model provide boundary conditions to the large-eddy simulations. Nesting a large-eddy simulation within a mesoscale model requires nuanced representations of turbulence. Our group has improved the Weather and Research Forecasting model's (WRF) LES capability by implementing the Nonlinear Backscatter and Anisotropy (NBA) subfilter stress model following Kosovic (1997) and an explicit filtering and reconstruction technique to compute the Resolvable Subfilter-Scale (RSFS) stresses (following Chow et al, 2005). We have also implemented an immersed boundary method (IBM) in WRF to accommodate complex terrain. These new models improve WRF's LES capabilities over complex terrain and in stable atmospheric conditions. We demonstrate approaches to nesting LES within a mesoscale simulation for farms of wind turbines in hilly regions. Results are sensitive to the nesting method, indicating that care must be taken to provide appropriate boundary conditions, and to allow adequate spin-up of turbulence in the LES domain.

  3. Public attitudes regarding large-scale solar energy development in the U.S.

    SciTech Connect (OSTI)

    Carlisle, Juliet E.; Kane, Stephanie L.; Solan, David; Bowman, Madelaine; Joe, Jeffrey C.

    2015-08-01

    Using data collected from both a National sample as well as an oversample in U.S. Southwest, we examine public attitudes toward the construction of utility-scale solar facilities in the U.S. as well as development in ones own county. Our multivariate analyses assess demographic and sociopsychological factors as well as context in terms of proximity of proposed project by considering the effect of predictors for respondents living in the Southwest versus those from a National sample.We find that the predictors, and impact of the predictors, related to support and opposition to solar development vary in terms of psychological and physical distance. Overall, for respondents living in the U.S. Southwest we find that environmentalism, belief that developers receive too many incentives, and trust in project developers to be significantly related to support and opposition to solar development, in general. When Southwest respondents consider large-scale solar development in their county, the influence of these variables changes so that property value, race, and age only yield influence. Differential effects occur for respondents of our National sample.We believe our findings to be relevant for those outside the U.S. due to the considerable growth PV solar has experienced in the last decade, especially in China, Japan, Germany, and the U.S.

  4. Public attitudes regarding large-scale solar energy development in the U.S.

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

    Carlisle, Juliet E.; Kane, Stephanie L.; Solan, David; Bowman, Madelaine; Joe, Jeffrey C.

    2015-08-01

    Using data collected from both a National sample as well as an oversample in U.S. Southwest, we examine public attitudes toward the construction of utility-scale solar facilities in the U.S. as well as development in one’s own county. Our multivariate analyses assess demographic and sociopsychological factors as well as context in terms of proximity of proposed project by considering the effect of predictors for respondents living in the Southwest versus those from a National sample.We find that the predictors, and impact of the predictors, related to support and opposition to solar development vary in terms of psychological and physical distance.more » Overall, for respondents living in the U.S. Southwest we find that environmentalism, belief that developers receive too many incentives, and trust in project developers to be significantly related to support and opposition to solar development, in general. When Southwest respondents consider large-scale solar development in their county, the influence of these variables changes so that property value, race, and age only yield influence. Differential effects occur for respondents of our National sample.We believe our findings to be relevant for those outside the U.S. due to the considerable growth PV solar has experienced in the last decade, especially in China, Japan, Germany, and the U.S.« less

  5. Public attitudes regarding large-scale solar energy development in the U.S.

    SciTech Connect (OSTI)

    Carlisle, Juliet E.; Kane, Stephanie L.; Solan, David; Bowman, Madelaine; Joe, Jeffrey C.

    2015-08-01

    Using data collected from both a National sample as well as an oversample in U.S. Southwest, we examine public attitudes toward the construction of utility-scale solar facilities in the U.S. as well as development in one’s own county. Our multivariate analyses assess demographic and sociopsychological factors as well as context in terms of proximity of proposed project by considering the effect of predictors for respondents living in the Southwest versus those from a National sample.We find that the predictors, and impact of the predictors, related to support and opposition to solar development vary in terms of psychological and physical distance. Overall, for respondents living in the U.S. Southwest we find that environmentalism, belief that developers receive too many incentives, and trust in project developers to be significantly related to support and opposition to solar development, in general. When Southwest respondents consider large-scale solar development in their county, the influence of these variables changes so that property value, race, and age only yield influence. Differential effects occur for respondents of our National sample.We believe our findings to be relevant for those outside the U.S. due to the considerable growth PV solar has experienced in the last decade, especially in China, Japan, Germany, and the U.S.

  6. LCA of local strategies for energy recovery from waste in England, applied to a large municipal flow

    SciTech Connect (OSTI)

    Tunesi, Simonetta

    2011-03-15

    An intense waste management (WM) planning activity is currently undergoing in England to build the infrastructure necessary to treat residual wastes, increase recycling levels and the recovery of energy from waste. From the analyses of local WM strategic and planning documents we have identified the emerging of three different energy recovery strategies: established combustion of residual waste; pre-treatment of residual waste and energy recovery from Solid Recovered Fuel in a dedicated plant, usually assumed to be a gasifier; pre-treatment of residual waste and reliance on the market to accept the 'fuel from waste' so produced. Each energy recovery strategy will result in a different solution in terms of the technology selected; moreover, on the basis of the favoured solution, the total number, scale and location of thermal treatment plants built in England will dramatically change. To support the evaluation and comparison of these three WM strategy in terms of global environmental impacts, energy recovery possibilities and performance with respect to changing 'fuel from waste' market conditions, the LCA comparison of eight alternative WM scenarios for a real case study dealing with a large flow of municipal wastes was performed with the modelling tool WRATE. The large flow of waste modelled allowed to formulate and assess realistic alternative WM scenarios and to design infrastructural systems which are likely to correspond to those submitted for approval to the local authorities. The results show that all alternative scenarios contribute to saving abiotic resources and reducing global warming potential. Particularly relevant to the current English debate, the performance of a scenario was shown to depend not from the thermal treatment technology but from a combination of parameters, among which most relevant are the efficiency of energy recovery processes (both electricity and heat) and the calorific value of residual waste and pre-treated material. The

  7. 2014-09-18 Issuance: Energy Conservation Standard for Small, Large, and Very Large Air-Cooled Commercial Package Air Conditioning and Heating Equipment; Notice of Proposed Rulemaking and Public Meeting

    Broader source: Energy.gov [DOE]

    This document is a pre-publication Federal Register Notice of Proposed Rulemaking and Public Meeting regarding Energy Conservation Standards for Small, large, and Very Large Air-Cooled Commercial Package Air Conditioning and Heating Equipment, as issued by the Assistant Secretary for Energy Efficiency and Renewable Energy on September 18, 2014. Though it is not intended or expected, should any discrepancy occur between the document posted here and the document published in the Federal Register, the Federal Register publication controls. This document is being made available through the Internet solely as a means to facilitate the public's access to this document.

  8. Full sky harmonic analysis hints at large ultra-high energy cosmic ray deflections

    SciTech Connect (OSTI)

    Tinyakov, P. G. Urban, F. R.

    2015-03-15

    The full-sky multipole coefficients of the ultra-high energy cosmic ray (UHECR) flux have been measured for the first time by the Pierre Auger and Telescope Array collaborations using a joint data set with E > 10 EeV. We calculate these harmonic coefficients in the model where UHECR are protons and sources trace the local matter distribution, and compare our results with observations. We find that the expected power for low multipoles (dipole and quadrupole, in particular) is sytematically higher than in the data: the observed flux is too isotropic. We then investigate to which degree our predictions are influenced by UHECR deflections in the regular Galactic magnetic field. It turns out that the UHECR power spectrum coefficients C{sub l} are quite insensitive to the effects of the Galactic magnetic field, so it is unlikely that the discordance can be reconciled by tuning the Galactic magnetic field model. On the contrary, a sizeable fraction of uniformly distributed flux (representing for instance an admixture of heavy nuclei with considerably larger deflections) can bring simulations and observations to an accord.

  9. Optimized Energy Management for Large Organizations Utilizing an On-Site PHEV fleet, Storage Devices and Renewable Electricity Generation

    SciTech Connect (OSTI)

    Dashora, Yogesh; Barnes, J. Wesley; Pillai, Rekha S; Combs, Todd E; Hilliard, Michael R

    2012-01-01

    Abstract This paper focuses on the daily electricity management problem for organizations with a large number of employees working within a relatively small geographic location. The organization manages its electric grid including limited on-site energy generation facilities, energy storage facilities, and plug-in hybrid electric vehicle (PHEV) charging stations installed in the parking lots. A mixed integer linear program (MILP) is modeled and implemented to assist the organization in determining the temporal allocation of available resources that will minimize energy costs. We consider two cost compensation strategies for PHEV owners: (1) cost equivalent battery replacement reimbursement for utilizing vehicle to grid (V2G) services from PHEVs; (2) gasoline equivalent cost for undercharging of PHEV batteries. Our case study, based on the Oak Ridge National Laboratory (ORNL) campus, produced encouraging results and substantiates the importance of controlled PHEV fleet charging as opposed to uncontrolled charging methods. We further established the importance of realizing V2G capabilities provided by PHEVs in terms of significantly reducing energy costs for the organization.

  10. Large Scale Duty Cycle (LSDC) Project: Tractive Energy Analysis Methodology and Results from Long-Haul Truck Drive Cycle Evaluations

    SciTech Connect (OSTI)

    LaClair, Tim J

    2011-05-01

    This report addresses the approach that will be used in the Large Scale Duty Cycle (LSDC) project to evaluate the fuel savings potential of various truck efficiency technologies. The methods and equations used for performing the tractive energy evaluations are presented and the calculation approach is described. Several representative results for individual duty cycle segments are presented to demonstrate the approach and the significance of this analysis for the project. The report is divided into four sections, including an initial brief overview of the LSDC project and its current status. In the second section of the report, the concepts that form the basis of the analysis are presented through a discussion of basic principles pertaining to tractive energy and the role of tractive energy in relation to other losses on the vehicle. In the third section, the approach used for the analysis is formalized and the equations used in the analysis are presented. In the fourth section, results from the analysis for a set of individual duty cycle measurements are presented and different types of drive cycles are discussed relative to the fuel savings potential that specific technologies could bring if these drive cycles were representative of the use of a given vehicle or trucking application. Additionally, the calculation of vehicle mass from measured torque and speed data is presented and the accuracy of the approach is demonstrated.

  11. Product Binding Varies Dramatically between Processive and Nonprocessive Cellulase Enzymes

    SciTech Connect (OSTI)

    Bu, L.; Nimlos, M. R.; Shirts, M. R.; Stahlberg, J.; Himmel, M. E.; Crowley, M. F.; Beckham, G. T.

    2012-07-13

    Cellulases hydrolyze {beta}-1,4 glycosidic linkages in cellulose, which are among the most prevalent and stable bonds in Nature. Cellulases comprise many glycoside hydrolase families and exist as processive or nonprocessive enzymes. Product inhibition negatively impacts cellulase action, but experimental measurements of product-binding constants vary significantly, and there is little consensus on the importance of this phenomenon. To provide molecular level insights into cellulase product inhibition, we examine the impact of product binding on processive and nonprocessive cellulases by calculating the binding free energy of cellobiose to the product sites of catalytic domains of processive and nonprocessive enzymes from glycoside hydrolase families 6 and 7. The results suggest that cellobiose binds to processive cellulases much more strongly than nonprocessive cellulases. We also predict that the presence of a cellodextrin bound in the reactant site of the catalytic domain, which is present during enzymatic catalysis, has no effect on product binding in nonprocessive cellulases, whereas it significantly increases product binding to processive cellulases. This difference in product binding correlates with hydrogen bonding between the substrate-side ligand and the cellobiose product in processive cellulase tunnels and the additional stabilization from the longer tunnel-forming loops. The hydrogen bonds between the substrate- and product-side ligands are disrupted by water in nonprocessive cellulase clefts, and the lack of long tunnel-forming loops results in lower affinity of the product ligand. These findings provide new insights into the large discrepancies reported for binding constants for cellulases and suggest that product inhibition will vary significantly based on the amount of productive binding for processive cellulases on cellulose.

  12. Anion A HX Clusters with Reduced Electron Binding Energies: Proton vs Hydrogen Atom Relocation Upon Electron Detachment

    SciTech Connect (OSTI)

    Wang, Xue B.; Kass, Steven R.

    2014-12-10

    Clustering an anion with one or more neutral molecules is a stabilizing process that enhances the oxidation potential of the complex relative to the free ion. Several hydrogen bond clusters (i.e., A HX, where A = H2PO4 and CF3CO2 and HX = MeOH, PhOH, and Me2NOH or Et2NOH) are examined by photoelectron spectroscopy and M06-2X and CCSD(T) computations. Remarkably, these species are experimentally found to have adiabatic detachment energies that are smaller than those for the free ion and reductions of 0.47 to 1.87 eV are predicted computationally. Hydrogen atom and proton transfers upon vertical photodetachment are two limiting extremes on the neutral surface in a continuum of mechanistic pathways that account for these results, and the whole gamut of possibilities are predicted to occur.

  13. How Dynein Binds to Microtubules

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

    How Dynein Binds to Microtubules How Dynein Binds to Microtubules Print Wednesday, 29 April 2009 00:00 Cytoplasmic dynein is a protein complex responsible for the transport of a large variety of cargoes, from specific RNAs and proteins to whole organelles, in a directional fashion along microtubules that serve as cellular conveyor belts. Consistent with this central role, cytoplasmic dynein is associated with a number of disease-related processes, including the transport of viruses,

  14. 2014-11-25 Issuance: Energy Conservation Standards for Small, Large, and Very Large Air-cooled Commercial Package Air Conditioning and Heating Equipment; Extension of Public Comment Period

    Broader source: Energy.gov [DOE]

    This document is a pre-publication Federal Register extension of the public comment period regarding energy conservation standards for small, large and very large air-cool commercial package air conditioning and heating equipment, as issued by the Deputy Assistant Secretary for Energy Efficiency on November 25, 2014. Though it is not intended or expected, should any discrepancy occur between the document posted here and the document published in the Federal Register, the Federal Register publication controls. This document is being made available through the Internet solely as a means to facilitate the public's access to this document.

  15. Large Energy Users Program

    Office of Energy Efficiency and Renewable Energy (EERE)

    Below is a list of equipment categories for which incentives are available, with short descriptions of some eligible technologies. Interested parties should see the program web site for a complete...

  16. Search for Z? events with large missing transverse energy in pp? collisions at ?s=1.96 TeV

    SciTech Connect (OSTI)

    Abazov, V. M.; Abbott, B.; Acharya, B. S.; Adams, M.; Adams, T.; Alexeev, G. D.; Alkhazov, G.; Alton, A.; Alverson, G.; Aoki, M.; Askew, A.; Atkins, S.; Augsten, K.; Avila, C.; Badaud, F.; Bagby, L.; Baldin, B.; Bandurin, D. V.; Banerjee, S.; Barberis, E.; Baringer, P.; Barreto, J.; Bartlett, J. F.; Bassler, U.; Bazterra, V.; Bean, A.; Begalli, M.; Bellantoni, L.; Beri, S. B.; Bernardi, G.; Bernhard, R.; Bertram, I.; Besanon, M.; Beuselinck, R.; Bezzubov, V. A.; Bhat, P. C.; Bhatia, S.; Bhatnagar, V.; Blazey, G.; Blessing, S.; Bloom, K.; Boehnlein, A.; Boline, D.; Boos, E. E.; Borissov, G.; Bose, T.; Brandt, A.; Brandt, O.; Brock, R.; Brooijmans, G.; Bross, A.; Brown, D.; Brown, J.; Bu, X. B.; Buehler, M.; Buescher, V.; Bunichev, V.; Burdin, S.; Buszello, C. P.; Camacho-Prez, E.; Casey, B. C. K.; Castilla-Valdez, H.; Caughron, S.; Chakrabarti, S.; Chakraborty, D.; Chan, K. M.; Chandra, A.; Chapon, E.; Chen, G.; Chevalier-Thry, S.; Cho, D. K.; Cho, S. W.; Choi, S.; Choudhary, B.; Cihangir, S.; Claes, D.; Clutter, J.; Cooke, M.; Cooper, W. E.; Corcoran, M.; Couderc, F.; Cousinou, M.-C.; Croc, A.; Cutts, D.; Das, A.; Davies, G.; de Jong, S. J.; De La Cruz-Burelo, E.; Dliot, F.; Demina, R.; Denisov, D.; Denisov, S. P.; Desai, S.; Deterre, C.; DeVaughan, K.; Diehl, H. T.; Diesburg, M.; Ding, P. F.; Dominguez, A.; Dubey, A.; Dudko, L. V.; Duggan, D.; Duperrin, A.; Dutt, S.; Dyshkant, A.; Eads, M.; Edmunds, D.; Ellison, J.; Elvira, V. D.; Enari, Y.; Evans, H.; Evdokimov, A.; Evdokimov, V. N.; Facini, G.; Feng, L.; Ferbel, T.; Fiedler, F.; Filthaut, F.; Fisher, W.; Fisk, H. E.; Fortner, M.; Fox, H.; Fuess, S.; Garcia-Bellido, A.; Garca-Gonzlez, J. A.; Garca-Guerra, G. A.; Gavrilov, V.; Gay, P.; Geng, W.; Gerbaudo, D.; Gerber, C. E.; Gershtein, Y.; Ginther, G.; Golovanov, G.; Goussiou, A.; Grannis, P. D.; Greder, S.; Greenlee, H.; Grenier, G.; Gris, Ph.; Grivaz, J.-F.; Grohsjean, A.; Grnendahl, S.; Grnewald, M. W.; Guillemin, T.; Gutierrez, G.; Gutierrez, P.; Haas, A.; Hagopian, S.; Haley, J.; Han, L.; Harder, K.; Harel, A.; Hauptman, J. M.; Hays, J.; Head, T.; Hebbeker, T.; Hedin, D.; Hegab, H.; Heinson, A. P.; Heintz, U.; Hensel, C.; Heredia-De La Cruz, I.; Herner, K.; Hesketh, G.; Hildreth, M. D.; Hirosky, R.; Hoang, T.; Hobbs, J. D.; Hoeneisen, B.; Hohlfeld, M.; Howley, I.; Hubacek, Z.; Hynek, V.; Iashvili, I.; Ilchenko, Y.; Illingworth, R.; Ito, A. S.; Jabeen, S.; Jaffr, M.; Jayasinghe, A.; Jesik, R.; Johns, K.; Johnson, E.; Johnson, M.; Jonckheere, A.; Jonsson, P.; Joshi, J.; Jung, A. W.; Juste, A.; Kaadze, K.; Kajfasz, E.; Karmanov, D.; Kasper, P. A.; Katsanos, I.; Kehoe, R.; Kermiche, S.; Khalatyan, N.; Khanov, A.; Kharchilava, A.; Kharzheev, Y. N.; Kiselevich, I.; Kohli, J. M.; Kozelov, A. V.; Kraus, J.; Kulikov, S.; Kumar, A.; Kupco, A.; Kur?a, T.; Kuzmin, V. A.; Lammers, S.; Landsberg, G.; Lebrun, P.; Lee, H. S.; Lee, S. W.; Lee, W. M.; Lellouch, J.; Li, H.; Li, L.; Li, Q. Z.; Lim, J. K.; Lincoln, D.; Linnemann, J.; Lipaev, V. V.; Lipton, R.; Liu, H.; Liu, Y.; Lobodenko, A.; Lokajicek, M.; Lopes de Sa, R.; Lubatti, H. J.; Luna-Garcia, R.; Lyon, A. L.; Maciel, A. K. A.; Madar, R.; Magaa-Villalba, R.; Malik, S.; Malyshev, V. L.; Maravin, Y.; Martnez-Ortega, J.; McCarthy, R.; McGivern, C. L.; Meijer, M. M.; Melnitchouk, A.; Menezes, D.; Mercadante, P. G.; Merkin, M.; Meyer, A.; Meyer, J.; Miconi, F.; Mondal, N. K.; Mulhearn, M.; Nagy, E.; Naimuddin, M.; Narain, M.; Nayyar, R.; Neal, H. A.; Negret, J. P.; Neustroev, P.; Nunnemann, T.; Obrant, G.; Orduna, J.; Osman, N.; Osta, J.; Padilla, M.; Pal, A.; Parashar, N.; Parihar, V.; Park, S. K.; Partridge, R.; Parua, N.; Patwa, A.; Penning, B.; Perfilov, M.; Peters, Y.; Petridis, K.; Petrillo, G.; Ptroff, P.; Pleier, M.-A.; Podesta-Lerma, P. L. M.; Podstavkov, V. M.; Popov, A. V.; Prewitt, M.; Price, D.; Prokopenko, N.; Qian, J.; Quadt, A.; Quinn, B.; Rangel, M. S.; Ranjan, K.; Ratoff, P. N.; Razumov, I.; Renkel, P.; Ripp-Baudot, I.; Rizatdinova, F.; Rominsky, M.; Ross, A.; Royon, C.; Rubinov, P.; Ruchti, R.; Sajot, G.; Salcido, P.; Snchez-Hernndez, A.; Sanders, M. P.; Sanghi, B.; Santos, A. S.; Savage, G.; Sawyer, L.; Scanlon, T.; Schamberger, R. D.; Scheglov, Y.; Schellman, H.; Schlobohm, S.; Schwanenberger, C.; Schwienhorst, R.; Sekaric, J.; Severini, H.; Shabalina, E.; Shary, V.; Shaw, S.; Shchukin, A. A.; Shivpuri, R. K.; Simak, V.; Skubic, P.; Slattery, P.; Smirnov, D.; Smith, K. J.; Snow, G. R.; Snow, J.; Snyder, S.; Sldner-Rembold, S.; Sonnenschein, L.; Soustruznik, K.; Stark, J.; Stoyanova, D. A.; Strauss, M.; Stutte, L.; Suter, L.; Svoisky, P.; Takahashi, M.; Titov, M.; Tokmenin, V. V.; Tsai, Y.-T.; Tschann-Grimm, K.; Tsybychev, D.; Tuchming, B.; Tully, C.; Uvarov, L.; Uvarov, S.; Uzunyan, S.; Van Kooten, R.

    2012-10-02

    We present the first search for new phenomena in Z? final states with large missing transverse energy using data corresponding to an integrated luminosity of 6.2 fb? collected with the D0 experiment in pp? collisions at ?s=1.96 TeV. This signature is predicted in gauge-mediated supersymmetry-breaking models, where the lightest neutralino ??? is the next-to-lightest supersymmetric particle and is produced in pairs, possibly through decay from heavier supersymmetric particles. The ??? can decay either to a Z boson or a photon and an associated gravitino that escapes detection. We exclude this model at the 95% C.L. for supersymmetry-breaking scales of ?<87 TeV.

  17. An Inexpensive Aqueous Flow Battery for Large-Scale Electrical Energy Storage Based on Water-Soluble Organic Redox Couples

    SciTech Connect (OSTI)

    Yang, B; Hoober-Burkhardt, L; Wang, F; Prakash, GKS; Narayanan, SR

    2014-05-21

    We introduce a novel Organic Redox Flow Battery (ORBAT), for Meeting the demanding requirements of cost, eco-friendliness, and durability for large-scale energy storage. ORBAT employs two different water-soluble organic redox couples on the positive and negative side of a flow battery. Redox couples such as quinones are particularly attractive for this application. No precious metal catalyst is needed because of the fast proton-coupled electron transfer processes. Furthermore, in acid media, the quinones exhibit good chemical stability. These properties render quinone-based redox couples very attractive for high-efficiency metal-free rechargeable batteries. We demonstrate the rechargeability of ORBAT with anthraquinone-2-sulfonic acid or anthraquinone-2,6-disulfonic acid on the negative side, and 1,2-dihydrobenzoquinone- 3,5-disulfonic acid on the positive side. The ORBAT cell uses a membrane-electrode assembly configuration similar to that used in polymer electrolyte fuel cells. Such a battery can be charged and discharged multiple times at high faradaic efficiency without any noticeable degradation of performance. We show that solubility and mass transport properties of the reactants and products are paramount to achieving high current densities and high efficiency. The ORBAT configuration presents a unique opportunity for developing an inexpensive and sustainable metal-free rechargeable battery for large-scale electrical energy storage. (C) The Author(s) 2014. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.orgilicenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.

  18. HIGH-TEMPERATURE ELECTROLYSIS FOR LARGE-SCALE HYDROGEN AND SYNGAS PRODUCTION FROM NUCLEAR ENERGY SYSTEM SIMULATION AND ECONOMICS

    SciTech Connect (OSTI)

    J. E. O'Brien; M. G. McKellar; E. A. Harvego; C. M. Stoots

    2009-05-01

    A research and development program is under way at the Idaho National Laboratory (INL) to assess the technological and scale-up issues associated with the implementation of solid-oxide electrolysis cell technology for efficient high-temperature hydrogen production from steam. This work is supported by the US Department of Energy, Office of Nuclear Energy, under the Nuclear Hydrogen Initiative. This paper will provide an overview of large-scale system modeling results and economic analyses that have been completed to date. System analysis results have been obtained using the commercial code UniSim, augmented with a custom high-temperature electrolyzer module. Economic analysis results were based on the DOE H2A analysis methodology. The process flow diagrams for the system simulations include an advanced nuclear reactor as a source of high-temperature process heat, a power cycle and a coupled steam electrolysis loop. Several reactor types and power cycles have been considered, over a range of reactor outlet temperatures. Pure steam electrolysis for hydrogen production as well as coelectrolysis for syngas production from steam/carbon dioxide mixtures have both been considered. In addition, the feasibility of coupling the high-temperature electrolysis process to biomass and coal-based synthetic fuels production has been considered. These simulations demonstrate that the addition of supplementary nuclear hydrogen to synthetic fuels production from any carbon source minimizes emissions of carbon dioxide during the production process.

  19. Vector meson production in coherent hadronic interactions: Update on predictions for energies available at the BNL Relativistic Heavy Ion Collider and the CERN Large Hadron Collider

    SciTech Connect (OSTI)

    Goncalves, V. P.; Machado, M. V. T.

    2011-07-15

    In this Rapid Communication we update our predictions for the photoproduction of vector mesons in coherent pp and AA collisions at Relativistic Heavy Ion Collider (RHIC) and Large Hadron Collider (LHC) energies using the color dipole approach and the Color Glass Condensate formalism. In particular, we present our predictions for the first run of the LHC at half energy and for the rapidity dependence of the ratio between the J/{Psi} and {rho} cross sections at RHIC energies.

  20. Binding energies of the ground triplet state a{sup 3}?{sub u}{sup +} of Rb{sub 2} and Cs{sub 2} in terms of the generalized Le RoyBernstein near-dissociation expansion

    SciTech Connect (OSTI)

    Sovkov, V. B.; Ivanov, V. S. [V.A. Fock Institute of Physics and Department of Physics of St. Petersburg State University, Ulyanovskaya Street 1, Petrodvoretz, St. Petersburg 198504 (Russian Federation)] [V.A. Fock Institute of Physics and Department of Physics of St. Petersburg State University, Ulyanovskaya Street 1, Petrodvoretz, St. Petersburg 198504 (Russian Federation)

    2014-04-07

    Formulae of Le RoyBernstein near-dissociation theory are derived in a general isotopeinvariant form, applicable to any term in the rotational expansion of a diatomic ro-vibrational term value. It is proposed to use the generalized Le RoyBernstein expansion to describe the binding energies (ro-vibrational term values) of the ground triplet state a{sup 3}?{sub u}{sup +} of alkali metal dimers. The parameters of this description are determined for Rb{sub 2} and Cs{sub 2} molecules. This approach gives a recipe to calculate the whole variety of the binding energies with characteristic accuracies from ?1 10{sup ?3} to 1 10{sup ?2} cm{sup ?1} using a relatively simple algebraic equation.

  1. Large scale simulations of the mechanical properties of layered transition metal ternary compounds for fossil energy power system applications

    SciTech Connect (OSTI)

    Ching, Wai-Yim

    2014-12-31

    Advanced materials with applications in extreme conditions such as high temperature, high pressure, and corrosive environments play a critical role in the development of new technologies to significantly improve the performance of different types of power plants. Materials that are currently employed in fossil energy conversion systems are typically the Ni-based alloys and stainless steels that have already reached their ultimate performance limits. Incremental improvements are unlikely to meet the more stringent requirements aimed at increased efficiency and reduce risks while addressing environmental concerns and keeping costs low. Computational studies can lead the way in the search for novel materials or for significant improvements in existing materials that can meet such requirements. Detailed computational studies with sufficient predictive power can provide an atomistic level understanding of the key characteristics that lead to desirable properties. This project focuses on the comprehensive study of a new class of materials called MAX phases, or Mn+1AXn (M = a transition metal, A = Al or other group III, IV, and V elements, X = C or N). The MAX phases are layered transition metal carbides or nitrides with a rare combination of metallic and ceramic properties. Due to their unique structural arrangements and special types of bonding, these thermodynamically stable alloys possess some of the most outstanding properties. We used a genomic approach in screening a large number of potential MAX phases and established a database for 665 viable MAX compounds on the structure, mechanical and electronic properties and investigated the correlations between them. This database if then used as a tool for materials informatics for further exploration of this class of intermetallic compounds.

  2. CyanoGEBA: A Better Understanding of Cynobacterial Diversity through Large-scale Genomics (JGI Seventh Annual User Meeting 2012: Genomics of Energy and Environment)

    ScienceCinema (OSTI)

    Shih, Patrick [Kerfeld Lab, UC Berkeley and JGI

    2013-01-22

    Patrick Shih, representing both the University of California, Berkeley and JGI, gives a talk titled "CyanoGEBA: A Better Understanding of Cynobacterial Diversity through Large-scale Genomics" at the JGI 7th Annual Users Meeting: Genomics of Energy & Environment Meeting on March 22, 2012 in Walnut Creek, California.

  3. CyanoGEBA: A Better Understanding of Cynobacterial Diversity through Large-scale Genomics (JGI Seventh Annual User Meeting 2012: Genomics of Energy and Environment)

    SciTech Connect (OSTI)

    Shih, Patrick [Kerfeld Lab, UC Berkeley and JGI] [Kerfeld Lab, UC Berkeley and JGI

    2012-03-22

    Patrick Shih, representing both the University of California, Berkeley and JGI, gives a talk titled "CyanoGEBA: A Better Understanding of Cynobacterial Diversity through Large-scale Genomics" at the JGI 7th Annual Users Meeting: Genomics of Energy & Environment Meeting on March 22, 2012 in Walnut Creek, California.

  4. Model As-of Right Zoning Ordinance or Bylaw: Allowing Use of Large-Scale Solar Energy Facilities

    Broader source: Energy.gov [DOE]

    As part of the Green Communities Act (passed in 2008), the Massachusetts Department of Energy Resources (DOER) and the Massachusetts Executive Office of Environmental Affairs (EOEA) developed an ...

  5. The effect of the geomagnetic field on cosmic ray energy estimates and large scale anisotropy searches on data from the Pierre Auger Observatory

    SciTech Connect (OSTI)

    Abreu, P.; Aglietta, M.; Ahn, E.J.; Albuquerque, I.F.M.; Allard, D.; Allekotte, I.; Allen, J.; Allison, P.; Alvarez Castillo, J.; Alvarez-Muniz, J.; Ambrosio, M.; ,

    2011-11-01

    We present a comprehensive study of the influence of the geomagnetic field on the energy estimation of extensive air showers with a zenith angle smaller than 60{sup o}, detected at the Pierre Auger Observatory. The geomagnetic field induces an azimuthal modulation of the estimated energy of cosmic rays up to the {approx} 2% level at large zenith angles. We present a method to account for this modulation of the reconstructed energy. We analyse the effect of the modulation on large scale anisotropy searches in the arrival direction distributions of cosmic rays. At a given energy, the geomagnetic effect is shown to induce a pseudo-dipolar pattern at the percent level in the declination distribution that needs to be accounted for. In this work, we have identified and quantified a systematic uncertainty affecting the energy determination of cosmic rays detected by the surface detector array of the Pierre Auger Observatory. This systematic uncertainty, induced by the influence of the geomagnetic field on the shower development, has a strength which depends on both the zenith and the azimuthal angles. Consequently, we have shown that it induces distortions of the estimated cosmic ray event rate at a given energy at the percent level in both the azimuthal and the declination distributions, the latter of which mimics an almost dipolar pattern. We have also shown that the induced distortions are already at the level of the statistical uncertainties for a number of events N {approx_equal} 32 000 (we note that the full Auger surface detector array collects about 6500 events per year with energies above 3 EeV). Accounting for these effects is thus essential with regard to the correct interpretation of large scale anisotropy measurements taking explicitly profit from the declination distribution.

  6. Reducing Data Center Loads for a Large-Scale, Low-Energy Office Building: NREL's Research Support Facility (Book)

    SciTech Connect (OSTI)

    Sheppy, M.; Lobato, C.; Van Geet, O.; Pless, S.; Donovan, K.; Powers, C.

    2011-12-01

    This publication detailing the design, implementation strategies, and continuous performance monitoring of NREL's Research Support Facility data center. Data centers are energy-intensive spaces that facilitate the transmission, receipt, processing, and storage of digital data. These spaces require redundancies in power and storage, as well as infrastructure, to cool computing equipment and manage the resulting waste heat (Tschudi, Xu, Sartor, and Stein, 2003). Data center spaces can consume more than 100 times the energy of standard office spaces (VanGeet 2011). The U.S. Environmental Protection Agency (EPA) reported that data centers used 61 billion kilowatt-hours (kWh) in 2006, which was 1.5% of the total electricity consumption in the U.S. (U.S. EPA, 2007). Worldwide, data centers now consume more energy annually than Sweden (New York Times, 2009). Given their high energy consumption and conventional operation practices, there is a potential for huge energy savings in data centers. The National Renewable Energy Laboratory (NREL) is world renowned for its commitment to green building construction. In June 2010, the laboratory finished construction of a 220,000-square-foot (ft{sup 2}), LEED Platinum, Research Support Facility (RSF), which included a 1,900-ft{sup 2} data center. The RSF will expand to 360,000 ft{sup 2} with the opening of an additional wing December, 2011. The project's request for proposals (RFP) set a whole-building demand-side energy use requirement of a nominal 35 kBtu/ft{sup 2} per year. On-site renewable energy generation will offset the annual energy consumption. To support the RSF's energy goals, NREL's new data center was designed to minimize its energy footprint without compromising service quality. Several implementation challenges emerged during the design, construction, and first 11 months of operation of the RSF data center. This document highlights these challenges and describes in detail how NREL successfully overcame them. The IT

  7. Effect of Large Scale Transmission Limitations on Renewable Energy Load Matching for Western U.S.: Preprint

    SciTech Connect (OSTI)

    Diakov, V.; Short, W.; Gilchrist, B.

    2012-06-01

    Based on the available geographically dispersed data for the Western U.S. (excluding Alaska), we analyze to what extent the geographic diversity of these resources can offset their variability. Without energy storage and assuming unlimited energy flows between regions, wind and PV can meet up to 80% of loads in Western U.S. while less than 10% of the generated power is curtailed. Limiting hourly energy flows by the aggregated transmission line carrying capacities decreases the fraction of the load that can be met with wind and PV generation to approximately 70%.

  8. Assessing Energetic Contributions to Binding from a Disordered Region in a Protein-Protein Interaction

    SciTech Connect (OSTI)

    S Cho; C Swaminathan; D Bonsor; M Kerzic; R Guan; J Yang; C Kieke; P Anderson; D Kranz; et al.

    2011-12-31

    Many functional proteins are at least partially disordered prior to binding. Although the structural transitions upon binding of disordered protein regions can influence the affinity and specificity of protein complexes, their precise energetic contributions to binding are unknown. Here, we use a model protein-protein interaction system in which a locally disordered region has been modified by directed evolution to quantitatively assess the thermodynamic and structural contributions to binding of disorder-to-order transitions. Through X-ray structure determination of the protein binding partners before and after complex formation and isothermal titration calorimetry of the interactions, we observe a correlation between protein ordering and binding affinity for complexes along this affinity maturation pathway. Additionally, we show that discrepancies between observed and calculated heat capacities based on buried surface area changes in the protein complexes can be explained largely by heat capacity changes that would result solely from folding the locally disordered region. Previously developed algorithms for predicting binding energies of protein-protein interactions, however, are unable to correctly model the energetic contributions of the structural transitions in our model system. While this highlights the shortcomings of current computational methods in modeling conformational flexibility, it suggests that the experimental methods used here could provide training sets of molecular interactions for improving these algorithms and further rationalizing molecular recognition in protein-protein interactions.

  9. Meet with Large Businesses

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

    Meet with Large Businesses and learn about upcoming acquisitions! * Federal Energy Management Program (FEMP) * National Renewable Energy Laboratory (NREL) * Small Business Administration (SBA) * U.S. Department of Energy / Energy, Efficiency, and Renewable Energy (EERE) * U.S. Department of Energy / Golden Field Office (GFO) * Western Area Power Administration (WAPA) * Colorado Procurement Technical Assistance Center (PTAC) SMALL BUSINESS OUTREACH "Federal Contracting with Small

  10. How Dynein Binds to Microtubules

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

    How Dynein Binds to Microtubules Print Cytoplasmic dynein is a protein complex responsible for the transport of a large variety of cargoes, from specific RNAs and proteins to whole organelles, in a directional fashion along microtubules that serve as cellular conveyor belts. Consistent with this central role, cytoplasmic dynein is associated with a number of disease-related processes, including the transport of viruses, neurodegeneration, and the mitotic checkpoint malfunctions that lead to

  11. How Dynein Binds to Microtubules

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

    How Dynein Binds to Microtubules Print Cytoplasmic dynein is a protein complex responsible for the transport of a large variety of cargoes, from specific RNAs and proteins to whole organelles, in a directional fashion along microtubules that serve as cellular conveyor belts. Consistent with this central role, cytoplasmic dynein is associated with a number of disease-related processes, including the transport of viruses, neurodegeneration, and the mitotic checkpoint malfunctions that lead to

  12. How Dynein Binds to Microtubules

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

    How Dynein Binds to Microtubules Print Cytoplasmic dynein is a protein complex responsible for the transport of a large variety of cargoes, from specific RNAs and proteins to whole organelles, in a directional fashion along microtubules that serve as cellular conveyor belts. Consistent with this central role, cytoplasmic dynein is associated with a number of disease-related processes, including the transport of viruses, neurodegeneration, and the mitotic checkpoint malfunctions that lead to

  13. How Dynein Binds to Microtubules

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

    How Dynein Binds to Microtubules Print Cytoplasmic dynein is a protein complex responsible for the transport of a large variety of cargoes, from specific RNAs and proteins to whole organelles, in a directional fashion along microtubules that serve as cellular conveyor belts. Consistent with this central role, cytoplasmic dynein is associated with a number of disease-related processes, including the transport of viruses, neurodegeneration, and the mitotic checkpoint malfunctions that lead to

  14. Contribution of Road Grade to the Energy Use of Modern Automobiles Across Large Datasets of Real-World Drive Cycles: Preprint

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

    Contribution of Road Grade to the Energy Use of Modern Automobiles Across Large Datasets of Real-World Drive Cycles Preprint Eric Wood, Evan Burton, Adam Duran, and Jeff Gonder To be presented at the SAE World Congress 2014 Detroit, Michigan April 8-10, 2014 Conference Paper NREL/CP-5400-61108 January 2014 NOTICE The submitted manuscript has been offered by an employee of the Alliance for Sustainable Energy, LLC (Alliance), a contractor of the US Government under Contract No. DE-AC36-08GO28308.

  15. Low-risk and cost-effective prior savings estimates for large-scale energy conservation projects in housing: Learning from the Fort Polk GHP project

    SciTech Connect (OSTI)

    Shonder, J.A.; Hughes, P.J.; Thornton, J.W.

    1997-08-01

    Many opportunities exist for large-scale energy conservation projects in housing. Energy savings performance contracting (ESPC) is now receiving greater attention, as a means to implement such projects. This paper proposes an improved method for prior (to construction) savings estimates for these projects. The proposed approach to prior estimates is verified against data from Fort Polk, LA. In the course of evaluating the ESPC at Fort Polk, the authors have collected energy use data which allowed them to develop calibrated engineering models which accurately predict pre-retrofit energy consumption. They believe that such calibrated models could be used to provide much more accurate estimates of energy savings in retrofit projects. The improved savings estimating approach described here is based on an engineering model calibrated to field-collected data from the pre-retrofit period. A dynamic model of pre-retrofit energy use was developed for all housing and non-housing loads on a complete electrical feeder at Fort Polk. The model included the heat transfer characteristics of the buildings, the pre-retrofit air source heat pump, a hot water consumption model and a profile for electrical use by lights and other appliances. Energy consumption for all 200 apartments was totaled, and by adjusting thermostat setpoints and outdoor air infiltration parameters, the models were matched to field-collected energy consumption data for the entire feeder. The energy conservation measures were then implemented in the calibrated model: the air source heat pumps were replaced by geothermal heat pumps with desuperheaters; hot water loads were reduced to account for the low-flow shower heads; and lighting loads were reduced to account for fixture delamping and replacement with compact fluorescent lights. The analysis of pre- and post-retrofit data indicates that the retrofits have saved 30.3% of pre-retrofit electrical energy consumption on the feeder modeled in this paper.

  16. Techno-economic Modeling of the Integration of 20% Wind and Large-scale Energy Storage in ERCOT by 2030

    SciTech Connect (OSTI)

    Baldick, Ross; Webber, Michael; King, Carey; Garrison, Jared; Cohen, Stuart; Lee, Duehee

    2012-12-21

    This study's objective is to examine interrelated technical and economic avenues for the Electric Reliability Council of Texas (ERCOT) grid to incorporate up to and over 20% wind generation by 2030. Our specific interests are to look at the factors that will affect the implementation of both high level of wind power penetration (> 20% generation) and installation of large scale storage.

  17. Low-Risk and Cost-Effective Prior Savings Estimates for Large-Scale Energy Conservation Projects in Housing: Learning from the Fort Polk GHP Project

    SciTech Connect (OSTI)

    Shonder, John A; Hughes, Patrick; Thornton, Jeff W.

    1997-08-01

    Many opportunities exist for large-scale energy conservation projects in housing: military housing, federally-subsidized low-income housing, and planned communities (condominiums, townhomes, senior centers) to name a few. Energy savings performance contracting (ESPC) is now receiving greater attention, as a means to implement such projects. This paper proposes an improved method for prior (to construction) savings estimates for these projects. More accurate prior estimates reduce project risk, decrease financing costs, and help avoid post-construction legal disputes over performance contract baseline adjustments. The proposed approach to prior estimates is verified against data from Fort Polk, LA. In the course of evaluating the ESPC at Fort Polk, Louisiana, we have collected energy use data - both at the electrical feeder level and at the level of individual residences - which allowed us to develop calibrated engineering models which accurately predict pre-retrofit energy consumption. We believe that such calibrated models could be used to provide much more accurate estimates of energy savings in retrofit projects, particularly in cases where the energy consumption of large populations of housing can be captured on one or a few meters. The improved savings estimating approach described here is based on an engineering model calibrated to field-collected data from the pre-retrofit period. A dynamic model of pre-retrofit energy use was developed for all housing and non-housing loads on a complete electrical feeder at Fort Polk. The feeder serves 46 buildings containing a total of 200 individual apartments. Of the 46 buildings, there are three unique types, and among these types the only difference is compass orientation. The model included the heat transfer characteristics of the buildings, the pre-retrofit air source heat pump, a hot water consumption model and a profile for electrical use by lights and other appliances. Energy consumption for all 200 apartments was

  18. High-Throughput Methodology for Discovery of Metal-Organic Frameworks with a High Binding Energy (New Joint UC-Berkeley/Symyx DoD/DLA Project) (presentation)

    Broader source: Energy.gov [DOE]

    Presented at the U.S. Department of Energy's Hydrogen Storage Meeting held June 26, 2007 in Bethesda, Maryland.

  19. Strange quark suppression and strange hadron production in pp collisions at energies available at the BNL Relativistic Heavy Ion Collider and the CERN Large Hadron Collider

    SciTech Connect (OSTI)

    Long Haiyan; Feng Shengqin; Zhou Daimei; Yan Yuliang; Ma Hailiang; Sa Benhao

    2011-09-15

    The parton and hadron cascade model PACIAE based on PYTHIA is utilized to systematically investigate strange particle production in pp collisions at energies available at the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC). Globally speaking, the PACIAE results of the strange particle rapidity density at midrapidity and the transverse momentum distribution are better than those of PYTHIA (default) in comparison with STAR and ALICE experimental data. This may represent the importance of the parton and hadron rescatterings, as well as the reduction mechanism of strange quark suppression, added in the PACIAE model. The K/{pi} ratios as a function of reaction energy in pp collisions from CERN Super Proton Synchrotron (SPS) to LHC energies are also analyzed in this paper.

  20. Effect of non-uniform electron energy distribution function on plasma production in large arc driven negative ion source

    SciTech Connect (OSTI)

    Shibata, T.; Koga, S.; Terasaki, R.; Hatayama, A.; Inoue, T.; Dairaku, M.; Kashiwagi, M.; Taniguchi, M.; Tobari, H.; Tsuchida, K.; Umeda, N.; Watanabe, K.

    2012-02-15

    Spatially non-uniform electron energy distribution function (EEDF) in an arc driven negative ion source (JAEA 10A negative ion source: 10 A NIS) is calculated numerically by a three-dimensional Monte Carlo kinetic model for electrons to understand spatial distribution of plasma production (such as atomic and ionic hydrogen (H{sup 0}/H{sup +}) production) in source chamber. The local EEDFs were directly calculated from electron orbits including electromagnetic effects and elastic/inelastic collision forces. From the EEDF, spatial distributions of H{sup 0}/H{sup +} production rate were obtained. The results suggest that spatial non-uniformity of H{sup 0}/H{sup +} productions is enhanced by high energy component of EEDF.

  1. Evaluation of the Potential Environmental Impacts from Large-Scale Use and Production of Hydrogen in Energy and Transportation Applications

    SciTech Connect (OSTI)

    Wuebbles, D.J.; Dubey, M.K., Edmonds, J.; Layzell, D.; Olsen, S.; Rahn, T.; Rocket, A.; Wang, D.; Jia, W.

    2010-06-01

    The purpose of this project is to systematically identify and examine possible near and long-term ecological and environmental effects from the production of hydrogen from various energy sources based on the DOE hydrogen production strategy and the use of that hydrogen in transportation applications. This project uses state-of-the-art numerical modeling tools of the environment and energy system emissions in combination with relevant new and prior measurements and other analyses to assess the understanding of the potential ecological and environmental impacts from hydrogen market penetration. H2 technology options and market penetration scenarios will be evaluated using energy-technology-economics models as well as atmospheric trace gas projections based on the IPCC SRES scenarios including the decline in halocarbons due to the Montreal Protocol. Specifically we investigate the impact of hydrogen releases on the oxidative capacity of the atmosphere, the long-term stability of the ozone layer due to changes in hydrogen emissions, the impact of hydrogen emissions and resulting concentrations on climate, the impact on microbial ecosystems involved in hydrogen uptake, and criteria pollutants emitted from distributed and centralized hydrogen production pathways and their impacts on human health, air quality, ecosystems, and structures under different penetration scenarios

  2. Large-scale Manufacturing of Nanoparticulate-based Lubrication Additives for Improved Energy Efficiency and Reduced Emissions

    SciTech Connect (OSTI)

    Erdemir, Ali

    2013-09-26

    This project was funded under the Department of Energy (DOE) Lab Call on Nanomanufacturing for Energy Efficiency and was directed toward the development of novel boron-based nanocolloidal lubrication additives for improving the friction and wear performance of machine components in a wide range of industrial and transportation applications. Argonne's research team concentrated on the scientific and technical aspects of the project, using a range of state-of-the art analytical and tribological test facilities. Argonne has extensive past experience and expertise in working with boron-based solid and liquid lubrication additives, and has intellectual property ownership of several. There were two industrial collaborators in this project: Ashland Oil (represented by its Valvoline subsidiary) and Primet Precision Materials, Inc. (a leading nanomaterials company). There was also a sub-contract with the University of Arkansas. The major objectives of the project were to develop novel boron-based nanocolloidal lubrication additives and to optimize and verify their performance under boundary-lubricated sliding conditions. The project also tackled problems related to colloidal dispersion, larger-scale manufacturing and blending of nano-additives with base carrier oils. Other important issues dealt with in the project were determination of the optimum size and concentration of the particles and compatibility with various base fluids and/or additives. Boron-based particulate additives considered in this project included boric acid (H{sub 3}BO{sub 3}), hexagonal boron nitride (h-BN), boron oxide, and borax. As part of this project, we also explored a hybrid MoS{sub 2} + boric acid formulation approach for more effective lubrication and reported the results. The major motivation behind this work was to reduce energy losses related to friction and wear in a wide spectrum of mechanical systems and thereby reduce our dependence on imported oil. Growing concern over greenhouse gas

  3. Shadowing effects on J/ψ and Υ production at energies available at the CERN Large Hadron Collider

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

    Vogt, R.

    2015-09-17

    Proton-nucleus collisions have been used as a intermediate baseline for the determination of cold medium effects. They lie between proton-proton collisions in vacuum and nucleus-nucleus collisions which are expected to be dominated by hot matter effects. Modifications of the quark densities in nuclei relative to those of the proton are well established although those of the gluons in the nucleus are not well understood. We focus on the effect of these on quarkonium production in proton-lead collisions at the LHC at a center of mass energy of 5.02 TeV.

  4. Decontamination Strategy for Large Area and/or Equipment Contaminated with Chemical and Biological Agents using a High Energy Arc Lamp (HEAL)

    SciTech Connect (OSTI)

    Schoske, Richard; Kennedy, Patrick; Duty, Chad E; Smith, Rob R; Huxford, Theodore J; Bonavita, Angelo M; Engleman, Greg; Vass, Arpad Alexander; Griest, Wayne H; Ilgner, Ralph H; Brown, Gilbert M

    2009-04-01

    A strategy for the decontamination of large areas and or equipment contaminated with Biological Warfare Agents (BWAs) and Chemical Warfare Agents (CWAs) was demonstrated using a High Energy Arc Lamp (HEAL) photolysis system. This strategy offers an alternative that is potentially quicker, less hazardous, generates far less waste, and is easier to deploy than those currently fielded by the Department of Defense (DoD). For example, for large frame aircraft the United States Air Force still relies on the combination of weathering (stand alone in environment), air washing (fly aircraft) and finally washing the aircraft with Hot Soapy Water (HSW) in an attempt to remove any remaining contamination. This method is laborious, time consuming (upwards of 12+ hours not including decontamination site preparation), and requires large amounts of water (e.g., 1,600+ gallons for a single large frame aircraft), and generates large amounts of hazardous waste requiring disposal. The efficacy of the HEAL system was demonstrated using diisopropyl methyl phosphonate (DIMP) a G series CWA simulant, and Bacillus globigii (BG) a simulant of Bacillus anthracis. Experiments were designed to simulate the energy flux of a field deployable lamp system that could stand-off 17 meters from a 12m2 target area and uniformly expose a surface at 1360 W/m2. The HEAL system in the absence of a catalyst reduced the amount of B. globigii by five orders of magnitude at a starting concentration of 1.63 x 107 spores. In the case of CWA simulants, the HEAL system in the presence of the catalyst TiO2 effectively degraded DIMP sprayed onto a 100mm diameter Petri dish in 5 minutes.

  5. Theoretical approach to heterogeneous catalysis using large finite crystals

    SciTech Connect (OSTI)

    Salem, L.

    1985-12-19

    A theoretical-approach is described for heterogeneous catalysis using large finite crystals and an exactly soluble model. First, reviews of some themes which are well-known to physicists but need a translation into chemical language: wave vectors, the tight-binding model, and energy bands. Next a description of the finite simple cubic crystal and its analytical wave functions and energies in the Hueckel scheme is given. Also the analytical Hueckel wave functions for a finite face-centered cubic (FCC) crystal cut along square, (100)-type faces is described. Then the calculation of the perturbation interaction energy between H/sub 2/ and large finite (simple cubic or FCC) crystals of Ni atoms, having up to 13,824 atoms is described. The interaction energy is shown to be independent of crystal size, whatever the position of attack of the H/sub 2/ molecule. 28 references, 9 figures, 8 tables.

  6. Tight-binding calculation studies of vacancy and adatom defects in graphene

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

    Zhang, Wei; Lu, Wen-Cai; Zhang, Hong-Xing; Ho, K. M.; Wang, C. Z.

    2016-02-19

    Computational studies of complex defects in graphene usually need to deal with a larger number of atoms than the current first-principles methods can handle. We show a recently developed three-center tight-binding potential for carbon is very efficient for large scale atomistic simulations and can accurately describe the structures and energies of various defects in graphene. Using the three-center tight-binding potential, we have systematically studied the stable structures and formation energies of vacancy and embedded-atom defects of various sizes up to 4 vacancies and 4 embedded atoms in graphene. In conclusion, our calculations reveal low-energy defect structures and provide a moremore » comprehensive understanding of the structures and stability of defects in graphene.« less

  7. On Possible Interpretations of the High Energy Electron-Positron Spectrum Measured by the Fermi Large Area Telescope

    SciTech Connect (OSTI)

    Grasso, D.; Profumo, S.; Strong, A.W.; Baldini, L.; Bellazzini, R.; Bloom, E.D.; Bregeon, J.; Di Bernardo, G.; Gaggero, D.; Giglietto, N.; Kamae, T.; Latronico, L.; Longo, F.; Mazziotta, M.N.; Moiseev, A.A.; Morselli, A.; Ormes, J.F.; Pesce-Rollins, M.; Pohl, M.; Razzano, M.; Sgro, C.

    2009-05-15

    The Fermi-LAT experiment recently reported high precision measurements of the spectrum of cosmic-ray electrons-plus-positrons (CRE) between 20 GeV and 1 TeV. The spectrum shows no prominent spectral features, and is significantly harder than that inferred from several previous experiments. Here we discuss several interpretations of the Fermi results based either on a single large scale Galactic CRE component or by invoking additional electron-positron primary sources, e.g. nearby pulsars or particle Dark Matter annihilation. We show that while the reported Fermi-LAT data alone can be interpreted in terms of a single component scenario, when combined with other complementary experimental results, specifically the CRE spectrum measured by H.E.S.S. and especially the positron fraction reported by PAMELA between 1 and 100 GeV, that class of models fails to provide a consistent interpretation. Rather, we find that several combinations of parameters, involving both the pulsar and dark matter scenarios, allow a consistent description of those results. We also briefly discuss the possibility of discriminating between the pulsar and dark matter interpretations by looking for a possible anisotropy in the CRE flux.

  8. Search for Large Extra Dimensions via Single Photons Plus Missing Energy Final States at s^(1/2) = 1.96 TeV

    SciTech Connect (OSTI)

    Carrera, Edgar Fernando; /Florida State U.

    2008-12-01

    This dissertation presents a search for large extra dimensions in the single photon plus missing transverse energy final states. We use a data sample of approximately 2.7 fb{sup -1} of p{bar p} collisions at {radical}s = 1.96 TeV (recorded with the D{sup -} detector) to investigate direct Kaluza Klein graviton production and set limits, at the 95% C.L., on the fundamental mass scale M{sub D} from 970 GeV to 816 GeV for two to eight extra dimensions.

  9. Search for Diphoton Events with Large Missing Transverse Energy in 6.3 fb-1 of ppbar Collisions using the D0 Detector at the Fermilab Tevatron Collider

    SciTech Connect (OSTI)

    Cooke, Mark Stephen; /Columbia U.

    2010-09-01

    A search for diphoton events with large missing transverse energy produced in p{bar p} collisions at {radical}s = 1.96 TeV is presented. The data were collected with the D0 detector at the Fermilab Tevatron Collider between 2002 and 2010, and correspond to 6.3 fb{sup -1} of integrated luminosity. The observed missing transverse energy distribution is well described by the Standard Model prediction, and 95% C.L. limits are derived on two realizations of theories beyond the Standard Model. In a gauge mediated supersymmetry breaking scenario, the breaking scale {Lambda} is excluded for {Lambda} < 124 TeV. In a universal extra dimension model including gravitational decays, the compactification radius R{sub c} is excluded for R{sub c}{sup -1} < 477 GeV.

  10. Large scale distribution of ultra high energy cosmic rays detected at the Pierre Auger Observatory with zenith angles up to 80°

    SciTech Connect (OSTI)

    Aab, Alexander

    2015-03-30

    In this study, we present the results of an analysis of the large angular scale distribution of the arrival directions of cosmic rays with energy above 4 EeV detected at the Pierre Auger Observatory including for the first time events with zenith angle between 60° and 80°. We perform two Rayleigh analyses, one in the right ascension and one in the azimuth angle distributions, that are sensitive to modulations in right ascension and declination, respectively. The largest departure from isotropy appears in the $E\\gt 8$ EeV energy bin, with an amplitude for the first harmonic in right ascension $r_{1}^{\\alpha }=(4.4\\pm 1.0)\\times {{10}^{-2}}$, that has a chance probability $P(\\geqslant r_{1}^{\\alpha })=6.4\\times {{10}^{-5}}$, reinforcing the hint previously reported with vertical events alone.

  11. Large scale distribution of ultra high energy cosmic rays detected at the Pierre Auger Observatory with zenith angles up to 80°

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

    Aab, Alexander

    2015-03-30

    In this study, we present the results of an analysis of the large angular scale distribution of the arrival directions of cosmic rays with energy above 4 EeV detected at the Pierre Auger Observatory including for the first time events with zenith angle between 60° and 80°. We perform two Rayleigh analyses, one in the right ascension and one in the azimuth angle distributions, that are sensitive to modulations in right ascension and declination, respectively. The largest departure from isotropy appears in themore » $$E\\gt 8$$ EeV energy bin, with an amplitude for the first harmonic in right ascension $$r_{1}^{\\alpha }=(4.4\\pm 1.0)\\times {{10}^{-2}}$$, that has a chance probability $$P(\\geqslant r_{1}^{\\alpha })=6.4\\times {{10}^{-5}}$$, reinforcing the hint previously reported with vertical events alone.« less

  12. Tomography of quark gluon plasma at energies available at the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC)

    SciTech Connect (OSTI)

    Gossiaux, P. B.; Bierkandt, R.; Aichelin, J.

    2009-04-15

    Using the recently published model [Gossiaux and Aichelin, Phys. Rev. C 78, 014904 (2008)] for the collisional energy loss of heavy quarks in a quark gluon plasma (QGP), based on perturbative QCD (pQCD) with a running coupling constant, we study the interaction between heavy quarks and plasma particles in detail. We discuss correlations between the simultaneously produced c and c quarks, study how central collisions can be experimentally selected, predict observable correlations, and extend our model to the energy domain of the Large Hadron Collider (LHC). We finally compare the predictions of our model with that of other approaches such as anti-de Sitter/conformal field theory (AdS/CFT)

  13. Large-Scale Utilization of Biomass Energy and Carbon Dioxide Capture and Storage in the Transport and Electricity Sectors under Stringent CO2 Concentration Limit Scenarios

    SciTech Connect (OSTI)

    Luckow, Patrick; Wise, Marshall A.; Dooley, James J.; Kim, Son H.

    2010-08-05

    This paper examines the potential role of large scale, dedicated commercial biomass energy systems under global climate policies designed to meet atmospheric concentrations of CO2 at 400ppm and 450ppm by the end of the century. We use an integrated assessment model of energy and agriculture systems to show that, given a climate policy in which terrestrial carbon is appropriately valued equally with carbon emitted from the energy system, biomass energy has the potential to be a major component of achieving these low concentration targets. A key aspect of the research presented here is that the costs of processing and transporting biomass energy at much larger scales than current experience are explicitly incorporated into the modeling. From the scenario results, 120-160 EJ/year of biomass energy is produced globally by midcentury and 200-250 EJ/year by the end of this century. In the first half of the century, much of this biomass is from agricultural and forest residues, but after 2050 dedicated cellulosic biomass crops become the majority source, along with growing utilization of waste-to-energy. The ability to draw on a diverse set of biomass based feedstocks helps to reduce the pressure for drastic large-scale changes in land use and the attendant environmental, ecological, and economic consequences those changes would unleash. In terms of the conversion of bioenergy feedstocks into value added energy, this paper demonstrates that biomass is and will continue to be used to generate electricity as well as liquid transportation fuels. A particular focus of this paper is to show how climate policies and technology assumptions - especially the availability of carbon dioxide capture and storage (CCS) technologies - affect the decisions made about where the biomass is used in the energy system. The potential for net-negative electric sector emissions through the use of CCS with biomass feedstocks provides an attractive part of the solution for meeting stringent

  14. Cholesky-decomposed density MP2 with density fitting: Accurate MP2 and double-hybrid DFT energies for large systems

    SciTech Connect (OSTI)

    Maurer, Simon A.; Clin, Lucien; Ochsenfeld, Christian

    2014-06-14

    Our recently developed QQR-type integral screening is introduced in our Cholesky-decomposed pseudo-densities Mller-Plesset perturbation theory of second order (CDD-MP2) method. We use the resolution-of-the-identity (RI) approximation in combination with efficient integral transformations employing sparse matrix multiplications. The RI-CDD-MP2 method shows an asymptotic cubic scaling behavior with system size and a small prefactor that results in an early crossover to conventional methods for both small and large basis sets. We also explore the use of local fitting approximations which allow to further reduce the scaling behavior for very large systems. The reliability of our method is demonstrated on test sets for interaction and reaction energies of medium sized systems and on a diverse selection from our own benchmark set for total energies of larger systems. Timings on DNA systems show that fast calculations for systems with more than 500 atoms are feasible using a single processor core. Parallelization extends the range of accessible system sizes on one computing node with multiple cores to more than 1000 atoms in a double-zeta basis and more than 500 atoms in a triple-zeta basis.

  15. Search for metastable heavy charged particles with large ionisation energy loss in pp collisions at ${\\sqrt{s} = 8}$ s = 8 TeV using the ATLAS experiment

    SciTech Connect (OSTI)

    Aad, G.

    2015-09-03

    Many extensions of the Standard Model predict the existence of charged heavy long-lived particles, such as R-hadrons or charginos. These particles, if produced at the Large Hadron Collider, should be moving non-relativistically and are therefore identifiable through the measurement of an anomalously large specific energy loss in the ATLAS pixel detector. Measuring heavy long-lived particles through their track parameters in the vicinity of the interaction vertex provides sensitivity to metastable particles with lifetimes from 0.6 ns to 30 ns. A search for such particles with the ATLAS detector at the Large Hadron Collider is presented, based on a data sample corresponding to an integrated luminosity of \\(18.4\\) fb\\(^{-1}\\) of pp collisions at \\(\\sqrt{s} = 8\\) TeV. No significant deviation from the Standard Model background expectation is observed, and lifetime-dependent upper limits on R-hadrons and chargino production are set. Gluino R-hadrons with 10 ns lifetime and masses up to 1185 GeV are excluded at 95 \\(\\%\\) confidence level, and so are charginos with 15 ns lifetime and masses up to 482 GeV.

  16. Contribution of Road Grade to the Energy Use of Modern Automobiles Across Large Datasets of Real-World Drive Cycles: Preprint

    SciTech Connect (OSTI)

    Wood, E.; Burton, E.; Duran, A.; Gonder, J.

    2014-01-01

    Understanding the real-world power demand of modern automobiles is of critical importance to engineers using modeling and simulation to inform the intelligent design of increasingly efficient powertrains. Increased use of global positioning system (GPS) devices has made large scale data collection of vehicle speed (and associated power demand) a reality. While the availability of real-world GPS data has improved the industry's understanding of in-use vehicle power demand, relatively little attention has been paid to the incremental power requirements imposed by road grade. This analysis quantifies the incremental efficiency impacts of real-world road grade by appending high fidelity elevation profiles to GPS speed traces and performing a large simulation study. Employing a large real-world dataset from the National Renewable Energy Laboratory's Transportation Secure Data Center, vehicle powertrain simulations are performed with and without road grade under five vehicle models. Aggregate results of this study suggest that road grade could be responsible for 1% to 3% of fuel use in light-duty automobiles.

  17. Search for metastable heavy charged particles with large ionisation energy loss in pp collisions at $${\\sqrt{s} = 8}$$ s = 8 TeV using the ATLAS experiment

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

    Aad, G.

    2015-09-03

    Many extensions of the Standard Model predict the existence of charged heavy long-lived particles, such as R-hadrons or charginos. These particles, if produced at the Large Hadron Collider, should be moving non-relativistically and are therefore identifiable through the measurement of an anomalously large specific energy loss in the ATLAS pixel detector. Measuring heavy long-lived particles through their track parameters in the vicinity of the interaction vertex provides sensitivity to metastable particles with lifetimes from 0.6 ns to 30 ns. A search for such particles with the ATLAS detector at the Large Hadron Collider is presented, based on a data samplemore » corresponding to an integrated luminosity of \\(18.4\\) fb\\(^{-1}\\) of pp collisions at \\(\\sqrt{s} = 8\\) TeV. No significant deviation from the Standard Model background expectation is observed, and lifetime-dependent upper limits on R-hadrons and chargino production are set. Gluino R-hadrons with 10 ns lifetime and masses up to 1185 GeV are excluded at 95 \\(\\%\\) confidence level, and so are charginos with 15 ns lifetime and masses up to 482 GeV.« less

  18. Search for Zγ events with large missing transverse energy in pp̄ collisions at √s=1.96 TeV

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

    Abazov, V. M.; Abbott, B.; Acharya, B. S.; Adams, M.; Adams, T.; Alexeev, G. D.; Alkhazov, G.; Alton, A.; Alverson, G.; Aoki, M.; et al

    2012-10-02

    We present the first search for new phenomena in Zγ final states with large missing transverse energy using data corresponding to an integrated luminosity of 6.2 fb⁻¹ collected with the D0 experiment in pp̄ collisions at √s=1.96 TeV. This signature is predicted in gauge-mediated supersymmetry-breaking models, where the lightest neutralino χ˜⁰₁ is the next-to-lightest supersymmetric particle and is produced in pairs, possibly through decay from heavier supersymmetric particles. The χ˜⁰₁ can decay either to a Z boson or a photon and an associated gravitino that escapes detection. We exclude this model at the 95% C.L. for supersymmetry-breaking scales of Λ<87more » TeV.« less

  19. Search for supersymmetry in events with a lepton, a photon, and large missing transverse energy in pp collisions at sqrt(s) = 7 TeV

    SciTech Connect (OSTI)

    Chatrchyan, Serguei; et al.

    2011-06-01

    A search is performed for an excess of events, over the standard model expectations, with a photon, a lepton, and large missing transverse energy in pp collisions at sqrt(s) = 7 TeV. Such events are expected in many new physics models, in particular a supersymmetric theory that is broken via a gauge-mediated mechanism, when the lightest charged and neutral gauginos are mass degenerate. The data sample used in this search corresponds to an integrated luminosity of 35 inverse picobarns collected with the CMS detector at the LHC. No evidence of such an excess above the standard model backgrounds, dominated by W-gamma production, is found. The results are presented as 95% confidence level upper limits on the cross section for a benchmark gauge-mediated scenario, and are then converted into exclusion limits on the squark, gluino, and wino masses.

  20. Energy

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

    Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced Nuclear Energy Nuclear Energy

  1. Organo-sulfur molecules enable iron-based battery electrodes to meet the challenges of large-scale electrical energy storage

    SciTech Connect (OSTI)

    Yang, B; Malkhandi, S; Manohar, AK; Prakash, GKS; Narayanan, SR

    2014-07-03

    Rechargeable iron-air and nickel-iron batteries are attractive as sustainable and inexpensive solutions for large-scale electrical energy storage because of the global abundance and eco-friendliness of iron, and the robustness of iron-based batteries to extended cycling. Despite these advantages, the commercial use of iron-based batteries has been limited by their low charging efficiency. This limitation arises from the iron electrodes evolving hydrogen extensively during charging. The total suppression of hydrogen evolution has been a significant challenge. We have found that organo-sulfur compounds with various structural motifs (linear and cyclic thiols, dithiols, thioethers and aromatic thiols) when added in milli-molar concentration to the aqueous alkaline electrolyte, reduce the hydrogen evolution rate by 90%. These organo-sulfur compounds form strongly adsorbed layers on the iron electrode and block the electrochemical process of hydrogen evolution. The charge-transfer resistance and double-layer capacitance of the iron/electrolyte interface confirm that the extent of suppression of hydrogen evolution depends on the degree of surface coverage and the molecular structure of the organo-sulfur compound. An unanticipated electrochemical effect of the adsorption of organo-sulfur molecules is "de-passivation" that allows the iron electrode to be discharged at high current values. The strongly adsorbed organo-sulfur compounds were also found to resist electro-oxidation even at the positive electrode potentials at which oxygen evolution can occur. Through testing on practical rechargeable battery electrodes we have verified the substantial improvements to the efficiency during charging and the increased capability to discharge at high rates. We expect these performance advances to enable the design of efficient, inexpensive and eco-friendly iron-based batteries for large-scale electrical energy storage.

  2. Reversible Acid Gas Capture Using CO2-Binding Organic Liquids

    SciTech Connect (OSTI)

    Heldebrant, David J.; Koech, Phillip K.; Yonker, Clement R.; Rainbolt, James E.; Zheng, Feng

    2010-08-31

    Acid gas scrubbing technology is predominantly aqueous alkanolamine based. Of the acid gases, CO2, H2S and SO2 have been shown to be reversible, however there are serious disadvantages with corrosion and high regeneration costs. The primary scrubbing system composed of monoethanolamine is limited to 30% by weight because of the highly corrosive solution. This gravimetric limitation limits the CO2 volumetric (?108 g/L) and gravimetric capacity (?7 wt%) of the system. Furthermore the scrubbing system has a large energy penalty from pumping and heating the excess water required to dissolve the MEA bicarbonate salt. Considering the high specific heat of water (4 j/g-1K-1), low capacities and the high corrosion we set out to design a fully organic solvent that can chemically bind all acid gases i.e. CO2 as reversible alkylcarbonate ionic liquids or analogues thereof. Having a liquid acid gas carrier improves process economics because there is no need for excess solvent to pump and to heat. We have demonstrated illustrated in Figure 1, that CO2-binding organic liquids (CO2BOLs) have a high CO2 solubility paired with a much lower specific heat (<1.5 J/g-1K-1) than aqueous systems. CO2BOLs are a subsection of a larger class of materials known as Binding Organic Liquids (BOLs). Our BOLs have been shown to reversibly bind and release COS, CS2, and SO2, which we denote COSBOLS, CS2BOLs and SO2BOLs. Our BOLs are highly tunable and can be designed for post or pre-combustion gas capture. The design and testing of the next generation zwitterionic CO2BOLs and SO2BOLs are presented.

  3. High-energy gamma-ray emission from solar flares: Summary of Fermi large area telescope detections and analysis of two M-class flares

    SciTech Connect (OSTI)

    Ackermann, M.; Ajello, M.; Albert, A.; Allafort, A.; Bechtol, K.; Bottacini, E.; Buehler, R.; Baldini, L.; Barbiellini, G.; Bastieri, D.; Buson, S.; Bellazzini, R.; Bregeon, J.; Bissaldi, E.; Bonamente, E.; Bouvier, A.; Brandt, T. J.; Brigida, M.; Bruel, P.; and others

    2014-05-20

    We present the detections of 18 solar flares detected in high-energy γ-rays (above 100 MeV) with the Fermi Large Area Telescope (LAT) during its first 4 yr of operation. This work suggests that particle acceleration up to very high energies in solar flares is more common than previously thought, occurring even in modest flares, and for longer durations. Interestingly, all these flares are associated with fairly fast coronal mass ejections (CMEs). We then describe the detailed temporal, spatial, and spectral characteristics of the first two long-lasting events: the 2011 March 7 flare, a moderate (M3.7) impulsive flare followed by slowly varying γ-ray emission over 13 hr, and the 2011 June 7 M2.5 flare, which was followed by γ-ray emission lasting for 2 hr. We compare the Fermi LAT data with X-ray and proton data measurements from GOES and RHESSI. We argue that the γ-rays are more likely produced through pion decay than electron bremsstrahlung, and we find that the energy spectrum of the proton distribution softens during the extended emission of the 2011 March 7 flare. This would disfavor a trapping scenario for particles accelerated during the impulsive phase of the flare and point to a continuous acceleration process at play for the duration of the flares. CME shocks are known for accelerating the solar energetic particles (SEPs) observed in situ on similar timescales, but it might be challenging to explain the production of γ-rays at the surface of the Sun while the CME is halfway to the Earth. A stochastic turbulence acceleration process occurring in the solar corona is another likely scenario. Detailed comparison of characteristics of SEPs and γ-ray-emitting particles for several flares will be helpful to distinguish between these two possibilities.

  4. Energy

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

    2 - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced Nuclear Energy Nuclear

  5. Energy

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

    3 - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced Nuclear Energy Nuclear

  6. Inhibition of selectin binding

    DOE Patents [OSTI]

    Nagy, Jon O.; Spevak, Wayne R.; Dasgupta, Falguni; Bertozzi, Caroline

    1999-01-01

    This invention provides compositions for inhibiting the binding between two cells, one expressing P- or L-selectin on the surface and the other expressing the corresponding ligand. A covalently crosslinked lipid composition is prepared having saccharides and acidic group on separate lipids. The composition is then interposed between the cells so as to inhibit binding. Inhibition can be achieved at an effective oligosaccharide concentration as low as 10.sup.6 fold below that of the free saccharide. Since selectins are involved in recruiting cells to sites of injury, these composition scan be used to palliate certain inflammatory and immunological conditions.

  7. Inhibition of selectin binding

    DOE Patents [OSTI]

    Nagy, Jon O.; Spevak, Wayne R.; Dasgupta, Falguni; Bertozzi, Caroline

    2001-10-09

    This invention provides compositions for inhibiting the binding between two cells, one expressing P- or L-selectin on the surface and the other expressing the corresponding ligand. A covalently crosslinked lipid composition is prepared having saccharides and acidic group on separate lipids. The composition is then interposed between the cells so as to inhibit binding. Inhibition can be achieved at an effective oligosaccharide concentration as low as 10.sup.6 fold below that of the free saccharide. Since selectins are involved in recruiting cells to sites of injury, these composition scan be used to palliate certain inflammatory and immunological conditions.

  8. Inhibition of selectin binding

    DOE Patents [OSTI]

    Nagy, Jon O.; Spevak, Wayne R.; Dasgupta, Falguni; Bertozzi, Carolyn

    1999-10-05

    This invention provides a system for inhibiting the binding between two cells, one expressing P- or L-selectin on the surface and the other expressing the corresponding ligand. A covalently crosslinked lipid composition is prepared having saccharides and acidic group on separate lipids. The composition is then interposed between the cells so as to inhibit binding. Inhibition can be achieved at an effective oligosaccharide concentration as low as 10.sup.6 fold below that of the free saccharide. Since selectins are involved in recruiting cells to sites of injury, this system can be used to palliate certain inflammatory and immunological conditions.

  9. Cellulose binding domain proteins

    DOE Patents [OSTI]

    Shoseyov, O.; Shpiegl, I.; Goldstein, M.; Doi, R.

    1998-11-17

    A cellulose binding domain (CBD) having a high affinity for crystalline cellulose and chitin is disclosed, along with methods for the molecular cloning and recombinant production. Fusion products comprising the CBD and a second protein are likewise described. A wide range of applications are contemplated for both the CBD and the fusion products, including drug delivery, affinity separations, and diagnostic techniques. 16 figs.

  10. Cellulose binding domain proteins

    DOE Patents [OSTI]

    Shoseyov, Oded; Shpiegl, Itai; Goldstein, Marc; Doi, Roy

    1998-01-01

    A cellulose binding domain (CBD) having a high affinity for crystalline cellulose and chitin is disclosed, along with methods for the molecular cloning and recombinant production thereof. Fusion products comprising the CBD and a second protein are likewise described. A wide range of applications are contemplated for both the CBD and the fusion products, including drug delivery, affinity separations, and diagnostic techniques.

  11. Space-resolved extreme ultraviolet spectroscopy free of high-energy neutral particle noise in wavelength range of 10–130 Å on the large helical device

    SciTech Connect (OSTI)

    Huang, Xianli; Morita, Shigeru; Oishi, Tetsutarou; Goto, Motoshi; National Institute for Fusion Science, Toki 509-5292 Gifu ; Dong, Chunfeng

    2014-04-15

    A flat-field space-resolved extreme ultraviolet (EUV) spectrometer system working in wavelength range of 10–130 Å has been constructed in the Large Helical Device (LHD) for profile measurements of bremsstrahlung continuum and line emissions of heavy impurities in the central column of plasmas, which are aimed at studies on Z{sub eff} and impurity transport, respectively. Until now, a large amount of spike noise caused by neutral particles with high energies (≤180 keV) originating in neutral beam injection has been observed in EUV spectroscopy on LHD. The new system has been developed with an aim to delete such a spike noise from the signal by installing a thin filter which can block the high-energy neutral particles entering the EUV spectrometer. Three filters of 11 μm thick beryllium (Be), 3.3 μm thick polypropylene (PP), and 0.5 μm thick polyethylene terephthalate (PET: polyester) have been examined to eliminate the spike noise. Although the 11 μm Be and 3.3 μm PP filters can fully delete the spike noise in wavelength range of λ ≤ 20 Å, the signal intensity is also reduced. The 0.5 μm PET filter, on the other hand, can maintain sufficient signal intensity for the measurement and the spike noise remained in the signal is acceptable. As a result, the bremsstrahlung profile is successfully measured without noise at 20 Å even in low-density discharges, e.g., 2.9 × 10{sup 13} cm{sup −3}, when the 0.5 μm PET filter is used. The iron n = 3–2 Lα transition array consisting of FeXVII to FeXXIV is also excellently observed with their radial profiles in wavelength range of 10–18 Å. Each transition in the Lα array can be accurately identified with its radial profile. As a typical example of the method a spectral line at 17.62 Å is identified as FeXVIII transition. Results on absolute intensity calibration of the spectrometer system, pulse height and noise count analyses of the spike noise between holographic and ruled gratings and wavelength

  12. Veolia Energy | Open Energy Information

    Open Energy Info (EERE)

    Energy 1 Veolia Energy is a company located in Oklahoma City, with offices in Cambridge (Massachusetts), Houston, Boston, and New York City. Veolia Energy is a large...

  13. Induction and Persistence of Large ?H2AX Foci by High Linear Energy Transfer Radiation in DNA-Dependent protein kinaseDeficient Cells

    SciTech Connect (OSTI)

    Bracalente, Candelaria; Ibaez, Irene L.; Molinari, Beatriz; Palmieri, Mnica; Kreiner, Andrs; Valda, Alejandro; and others

    2013-11-15

    Purpose: To evaluate the cell response to DNA double-strand breaks induced by low and high linear energy transfer (LET) radiations when the catalytic subunit of DNA-dependent protein kinase (DNA-PKcs), an essential protein of the nonhomologous end-joining repair pathway, lacks kinase activity. Methods and Materials: CHO10B2, a Chinese hamster ovary cell line, and its derived radiosensitive mutant cell line, irs-20, lacking DNA-PKcs activity, were evaluated after 0 to 3 Gy of ?-rays, plateau and Bragg peak protons, and lithium beams by clonogenic assay, and as a measurement of double-strand breaks, phosphorylated H2AX (?H2AX) foci number and size were quantified by immunocytofluorescence. Results: Irs-20 exhibited greater radiosensitivity and a higher amount of ?H2AX foci than CHO10B2 at 6 hours after irradiation for all types of radiations. Remarkably, CHO10B2 and irs-20 maintained their difference in radiosensitivity after high-LET radiation. Six hours after low-LET radiations, irs-20 did not reach basal levels of ?H2AX at high doses, whereas CHO10B2 recovered basal levels for all doses. After high-LET radiation, only CHO10B2 exhibited a reduction in ?H2AX foci, but it never reached basal levels. Persistent foci in irs-20 confirmed a repair deficiency. Interestingly, after 30 minutes of high-LET radiation both cell lines exhibited large foci (size >0.9 ?m{sup 2}) related to the damage nature, whereas at 6 hours irs-20 showed a higher amount of large foci than CHO10B2, with a 7-fold increase at 3 Gy, that could also be associated to radiosensitivity. Conclusions: We demonstrated, for the first time, an association between deficient DNA-PKcs activity and not only high levels of H2AX phosphorylation but also persistence and size increase of ?H2AX foci after high-LET irradiation.

  14. Large-Scale Computational Fluid Dynamics

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

    Large-Scale Computational Fluid Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management

  15. ENERGY

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

    U.S. Department of ENERGY Department of Energy Quadrennial Technology Review-2015 Framing Document http:energy.govqtr 2015-01-13 Page 2 The United States faces serious ...

  16. CO2-Binding Organic Liquids, an Integrated Acid Gas Capture System

    SciTech Connect (OSTI)

    Heldebrant, David J.; Koech, Phillip K.; Rainbolt, James E.; Zheng, Feng

    2011-04-01

    Amine systems are effective for CO2 capture, but they are still inefficient because the solvent regeneration energy is largely defined by the amount of water in the process. Most amines form heat-stable salts with SO2 and COS resulting in parasitic solvent loss and degradation. Stripping the CO2-rich solvent is energy intensive it requires temperatures above 100 ?C due to the high specific heat and heat of vaporization of water. CO2-capture processes could be much more energy efficient in a water free amine process. In addition, if the capture-material is chemically compatible with other acid gases, less solvent would be lost to heat-stable salts and the process economics would be further improved. One such system that can address these concerns is Binding Organic Liquids (BOLs), a class of switchable ionic liquids.

  17. Energy

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

    Energy Energy National security depends on science and technology. The United States relies on Los Alamos National Laboratory for the best of both. No place on Earth pursues a broader array of world-class scientific endeavors. Energy Overview Charlie McMillan, Director of Los Alamos National Laboratory 0:50 Director McMillan on energy security With energy use increasing across the nation and the world, Los Alamos National Laboratory is using its world-class scientific capabilities to enhance

  18. Glycosylation Helps Cellulase Enzymes Bind to Plant Cell Walls (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2012-06-01

    Computer simulations suggest a new strategy to design enhanced enzymes for biofuels production. Large-scale computer simulations predict that the addition of glycosylation on carbohydrate-binding modules can dramatically improve the binding affinity of these protein domains over amino acid mutations alone. These simulations suggest that glycosylation can be used as a protein engineering tool to enhance the activity of cellulase enzymes, which are a key component in the conversion of cellulose to soluble sugars in the production of biofuels. Glycosylation is the covalent attachment of carbohydrate molecules to protein side chains, and is present in many proteins across all kingdoms of life. Moreover, glycosylation is known to serve a wide variety of functions in biological recognition, cell signaling, and metabolism. Cellulase enzymes, which are responsible for deconstructing cellulose found in plant cell walls to glucose, contain glycosylation that when modified can affect enzymatic activity-often in an unpredictable manner. To gain insight into the role of glycosylation on cellulase activity, scientists at the National Renewable Energy Laboratory (NREL) used computer simulation to predict that adding glycosylation on the carbohydrate-binding module of a cellulase enzyme dramatically boosts the binding affinity to cellulose-more than standard protein engineering approaches in which amino acids are mutated. Because it is known that higher binding affinity in cellulases leads to higher activity, this work suggests a new route to designing enhanced enzymes for biofuels production. More generally, this work suggests that tuning glycosylation in cellulase enzymes is a key factor to consider when engineering biochemical conversion processes, and that more work is needed to understand how glycosylation affects cellulase activity at the molecular level.

  19. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Characterization of Selective Binding of Alkali Cations with Carboxylate Print Wednesday, 24 September 2008 00:00 During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of

  20. Evolution Energies | Open Energy Information

    Open Energy Info (EERE)

    Name: Evolution Energies Product: US-based designer and installer of large scale photovoltaic systems. References: Evolution Energies1 This article is a stub. You can help...

  1. Photoproduction of {rho}{sup 0} mesons in ultraperipheral heavy ion collisions at energies available at the BNL Relativistic Heavy Ion Collider (RHIC) and CERN Large Hadron Collider (LHC)

    SciTech Connect (OSTI)

    Goncalves, V. P.; Machado, M. V. T.

    2009-11-15

    We investigate the photoproduction of {rho} mesons in ultraperipheral heavy ion collisions at the BNL Relativistic Heavy Ion Collider (RHIC) and CERN Large Hadron Collider (LHC) energies in the dipole approach and within two phenomenological models based on the color glass condensate (CGC) formalism. We estimate the integrated cross section and rapidity distribution for meson production and compare our predictions with the data from the STAR Collaboration. In particular, we demonstrate that the total cross section at RHIC is strongly dependent on the energy behavior of the dipole-target cross section at low energies, which is not well determined in the dipole approach. In contrast, the predictions at midrapidities at RHIC and in the full rapidity at LHC are under theoretical control and can be used to test QCD dynamics at high energies.

  2. California Energy Commission

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

    California Energy Commission Quadrennial Water Review Comments - June 19, 2014 Water-Energy Nexus Water and energy systems are inextricably linked -- producing energy uses large ...

  3. Large Scale Production Computing and Storage Requirements for...

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

    Large Scale Production Computing and Storage Requirements for High Energy Physics: Target 2017 ... Energy's Office of High Energy Physics (HEP), Office of Advanced Scientific ...

  4. Energy

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

    Energy Energy Research into alternative forms of energy, and improving and securing the power grid, is a major national security imperative. News Releases Science Briefs Photos Picture of the Week Publications Social Media Videos Fact Sheets Pajarito Powder, LLC, a fuel-cell-catalyst company based in Albuquerque, is one of the voucher recipients that will partner with Los Alamos. Fuel-cell technology companies win small-business aid Pajarito Powder, LLC, (Albuquerque), NanoSonic (Pembroke, Va.)

  5. Energy

    Office of Legacy Management (LM)

    ..) ".. _,; ,' . ' , ,; Depar?.me.nt ,of.' Energy Washington; DC 20585 : . ' , - $$ o"\ ' ~' ,' DEC ?;$ ;y4,,, ~ ' .~ The Honorable John Kalwitz , 200 E. Wells Street Milwaukee, W~isconsin 53202, . . i :. Dear,Mayor 'Kalwitz: " . " Secretary of Energy Hazel' O'Leary has announceha new,approach 'to,openness in " the Department of Ene~rgy (DOE) and its communications with'the public. In -. support of~this initiative, we areipleased to forward the enclosed information

  6. Energy Efficiency | Department of Energy

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

    Efficiency Energy Efficiency The Energy Department's efforts to develop and deploy energy efficient solutions for buildings and manufacturing supply lines means large-scale energy and cost savings for all Americans. <a href="/node/993676">Learn about these successful efforts.</a> The Energy Department's efforts to develop and deploy energy efficient solutions for buildings and manufacturing supply lines means large-scale energy and cost savings for all Americans. Learn

  7. Thermodynamics of Binding Biomass to Cellulases for Renewable Fuel |

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

    Argonne Leadership Computing Facility Thermodynamics of Binding Biomass to Cellulases for Renewable Fuel PI Name: Michael Crowley PI Email: michael.crowley@nrel.gov Institution: National Renewable Energy Laboratory Allocation Program: INCITE Allocation Hours at ALCF: 70 Million Year: 2013 Research Domain: Energy Technologies The U.S. Department of Energy (DOE) has stipulated that 30% of the gasoline demand be displaced by renewable transportation fuels from non-food feedstock by 2030. The

  8. Astraeus Wind Energy Inc | Open Energy Information

    Open Energy Info (EERE)

    Astraeus Wind Energy Inc Jump to: navigation, search Name: Astraeus Wind Energy Inc Place: Eaton Rapids, Michigan Sector: Wind energy Product: Michigan-based manufacturer of large...

  9. Energy

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    M onthly Energy Re< view Ila A a m 0 II 8 IIIW *g U In this issue: New data on nuclear electricity in Eastern Europe (Table 10.4) 9'Ij a - Ordering Information This publication...

  10. An accurate and efficient computational protocol for obtaining the complete basis set limits of the binding energies of water clusters at the MP2 and CCSD(T) levels of theory: Application to (H?O)m, m=2-6, 8, 11, 16 and 17

    SciTech Connect (OSTI)

    Miliordos, Evangelos; Xantheas, Sotiris S.

    2015-06-21

    We report MP2 and CCSD(T) binding energies with basis sets up to pentuple zeta quality for the m = 2-6, 8 clusters. Or best CCSD(T)/CBS estimates are -4.99 kcal/mol (dimer), -15.77 kcal/mol (trimer), -27.39 kcal/mol (tetramer), -35.9 0.3 kcal/mol (pentamer), -46.2 0.3 kcal/mol (prism hexamer), -45.9 0.3 kcal/mol (cage hexamer), -45.4 0.3 kcal/mol (book hexamer), -44.3 0.3 kcal/mol (ring hexamer), -73.0 0.5 kcal/mol (D2d octamer) and -72.9 0.5 kcal/mol (S4 octamer). We have found that the percentage of both the uncorrected (dimer) and BSSE-corrected (dimerCPe) binding energies recovered with respect to the CBS limit falls into a narrow range for each basis set for all clusters and in addition this range was found to decrease upon increasing the basis set. Relatively accurate estimates (within < 0.5%) of the CBS limits can be obtained when using the 2/3, 1/3 (for the AVDZ set) or the , (for the AVTZ, AVQZ and AV5Z sets) mixing ratio between dimere and dimerCPe. Based on those findings we propose an accurate and efficient computational protocol that can be used to estimate accurate binding energies of clusters at the MP2 (for up to 100 molecules) and CCSD(T) (for up to 30 molecules) levels of theory. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multi program national laboratory operated for DOE by Battelle. This research also used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. AC02-05CH11231.