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Sample records for functional nanomaterials cfn

  1. Center for Functional Nanomaterials (CFN) | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Functional Nanomaterials (CFN) Scientific User Facilities (SUF) Division SUF Home About User Facilities X-Ray Light Sources Neutron Scattering Facilities Nanoscale Science Research Centers (NSRCs) Center for Functional Nanomaterials (CFN) Center for Integrated Nanotechnologies (CINT) Center for Nanophase Materials Sciences (CNMS) Center for Nanoscale Materials (CNM) The Molecular Foundry (TMF) Projects Accelerator & Detector Research Science Highlights Principal Investigators' Meetings BES

  2. Center for Functional Nanomaterials

    ScienceCinema (OSTI)

    BNL

    2009-09-01

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

  3. Nanomaterials for bio-functionalized electrodes: recent trends

    SciTech Connect (OSTI)

    Walcarius, Alain; Minteer, Shelley D.; Wang, Joseph; Lin, Yuehe; Merkoci, Arben

    2013-09-10

    This review intends to highlight the interest of nanomaterials for building biologically-modified electrodes. Rather than giving a comprehensive overview of the topic, the present work intends to give a flavour on the most exciting achievements and most recent approaches to get (and use) nanostructured electrode surfaces (or electrodes modified with nano-objects) comprising biomolecules. It will mainly consider nano-engineered functional polymers, nano-sized objects such as nanoparticles, carbon nanotubes, graphene or related materials, as well as template-based nanostructures, as modifiers for bio-functionalised electrodes.

  4. Chemical Industry R&D Roadmap for Nanomaterials By Design. From Fundamentals to Function

    SciTech Connect (OSTI)

    none,

    2003-12-01

    Vision2020 agreed to join NNI and the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (DOE/EERE) in sponsoring the "Nanomaterials and the Chemical Industry Roadmap Workshop" on September 30-October 2, 2002. This roadmap, Chemical Industry R&D Roadmap for Nanomaterials By Design: From Fundamentals to Function, is based on the scientific priorities expressed by workshop participants from the chemical industry, universities, and government laboratories.

  5. An overview—Functional nanomaterials for lithium rechargeable batteries, supercapacitors, hydrogen storage, and fuel cells

    SciTech Connect (OSTI)

    Liu, Hua Kun

    2013-12-15

    Graphical abstract: Nanomaterials play important role in lithium ion batteries, supercapacitors, hydrogen storage and fuel cells. - Highlights: • Nanomaterials play important role for lithium rechargeable batteries. • Nanostructured materials increase the capacitance of supercapacitors. • Nanostructure improves the hydrogenation/dehydrogenation of hydrogen storage materials. • Nanomaterials enhance the electrocatalytic activity of the catalysts in fuel cells. - Abstract: There is tremendous worldwide interest in functional nanostructured materials, which are the advanced nanotechnology materials with internal or external dimensions on the order of nanometers. Their extremely small dimensions make these materials unique and promising for clean energy applications such as lithium ion batteries, supercapacitors, hydrogen storage, fuel cells, and other applications. This paper will highlight the development of new approaches to study the relationships between the structure and the physical, chemical, and electrochemical properties of functional nanostructured materials. The Energy Materials Research Programme at the Institute for Superconducting and Electronic Materials, the University of Wollongong, has been focused on the synthesis, characterization, and applications of functional nanomaterials, including nanoparticles, nanotubes, nanowires, nanoporous materials, and nanocomposites. The emphases are placed on advanced nanotechnology, design, and control of the composition, morphology, nanostructure, and functionality of the nanomaterials, and on the subsequent applications of these materials to areas including lithium ion batteries, supercapacitors, hydrogen storage, and fuel cells.

  6. Multi-functional carbon nanomaterials: Tailoring morphology for multidisciplinary applications

    SciTech Connect (OSTI)

    Dervishi, Enkeleda

    2015-05-14

    Carbon based nanomaterials are being developed to have many new properties and applications. Graphene, is a mono-layer 2D atomic thick structure formed from hexagons of carbon atoms bound together by sp^2hybrid bonds. A carbon nanotube (CNT) can be viewed as a sheet of graphene rolled up into a cylinder, usually 1-2 nanometers in diameter and a few microns thick. A few applications of graphene and carbon nanotubes include the development of Nanoelectronics, nanocomposite materials, Hydrogen storage and Li? battery, etc.

  7. Chemical Functionalization, Self-Assembly, and Applications of Nanomaterials and Nanocomposites

    SciTech Connect (OSTI)

    Jiao, Tifeng [Yanshan University; Yan, Xingbin [Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences; Balan, Lavinia [French National Centre for Scientific Research (CNRS), Institute of Materials Science of Mulhouse (IS2M), France; Stepanov, Andrey [Russian Academy of Sciences (RAS), Kazan Physical-Technical Institute, Russia; Chen, Xinqing [Hong Kong University of Science and Technology, Hong Kong; Hu, Michael Z. [ORNL

    2014-01-01

    This special issue addresses the research studies on chemical functionalization, self-assembly, and applications of nanomaterials and nanocomposites. It contains twentyfour articles including two reviews and twenty-two research articles. It is used to create new functional nanomaterials and nanocomposites with a variety of sizes and morphologies such as Zn/Al layered double hydroxide, tin oxide nanowires, FeOOH-modified anion resin, Au nanoclusters silica composite nanospheres, Ti-doped ZnO sol-composite films, TiO2/ZnO composite, graphene oxide nanocomposites, LiFePO4/C nanocomposites, and chitosan nanoparticles. These nanomaterials and nanocomposites have widespread applications in tissue engineering, antitumor, sensors, photoluminescence, electrochemical, and catalytic properties. In addition, this themed issue includes some research articles about self-assembly systems covering organogels and Langmuir films. Furthermore, B. Blasiak et al. performed a literature survey on the recent advances in production, functionalization, toxicity reduction, and application of nanoparticles in cancer diagnosis, treatment, and treatment monitoring. P. Colson et al. performed a literature survey on the recent advances in nanosphere lithography due to its compatibility with wafer-scale processes as well as its potential to manufacture a wide variety of homogeneous one-, two-, or three-dimensional nanostructures.

  8. Density functional study of H-induced defects as nucleation sites in hybrid carbon nanomaterials.

    SciTech Connect (OSTI)

    Barnard, A.; Terranova, M. L.; Rossi, M.; Dip. Scienze e Tecnologie Chimiche; Dip di Energetica; INFM

    2005-01-01

    Recently we have reported on the growth of an exciting new class of hybrid nanostructured carbon materials, coupling nanosized diamond with single-walled carbon nanotubes. The inner structures were shown to be single-walled C nanotubes or bundles of single-walled nanotubes up to 15 {micro}m long, and the outer deposit consisted of faceted diamond crystallites with diameters in the range of 20-100 nm. To aid in understanding the mechanisms responsible for the formation of such materials, the present study uses density functional theory to examine the role of atomic hydrogen in creating localized sp{sup 3} hybridized defects on the outer wall of carbon nanotubes. The results illustrate that certain absorption configurations may produce defects containing dangling carbon bonds, and thus promote the formation of suitable sites for nanodiamond nucleation.

  9. Sustainable Nanomaterials Industry Perspective

    Broader source: Energy.gov [DOE]

    Presentation for the Sustainable Nanomaterials Workshop by MeadWestvaco Corporation held on June 26, 2012

  10. Nanomaterial Procedure Checklist

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

    Hammon/C.Patty 2/14/2014 Nanomaterial Procedure Checklist Spokesperson: _________________________________________ Proposal #: ______________ Author: _______________________________________________ Date: ___________________ Sample Holder Description: _______________________________________________________ Nanomaterial Composition: _______________________________________________________ Size: ________ Shape: ________ Quantity: ________ Risk Assessment: Describe any known hazards of the

  11. Metrology for Sustainable Nanomaterials

    Broader source: Energy.gov [DOE]

    Presentation by Michael Postek (National Institute of Standards and Technology, NIST) for the Sustainable Nanomaterials Workshop on June 26, 2012

  12. Biological responses to engineered nanomaterials: Needs for the next decade

    SciTech Connect (OSTI)

    Murphy, Catherine J.; Vartanian, Ariane M.; Geiger, Franz M.; Hamers, Robert J.; Pedersen, Joel A.; Cui, Qiang; Haynes, Christy L.; Carlson, Erin E.; Hernandez, Rigoberto; Klaper, Rebecca D.; Orr, Galya; Rosenzweig, Ze'ev

    2015-06-09

    In this study, the interaction of nanomaterials with biomolecules, cells, and organisms is an enormously vital area of current research, with applications in nanoenabled diagnostics, imaging agents, therapeutics, and contaminant removal technologies. Yet the potential for adverse biological and environmental impacts of nanomaterial exposure is considerable and needs to be addressed to ensure sustainable development of nanomaterials. In this Outlook four research needs for the next decade are outlined: (i) measurement of the chemical nature of nanomaterials in dynamic, complex aqueous environments; (ii) real-time measurements of nanomaterial-biological interactions with chemical specificity; (iii) delineation of molecular modes of action for nanomaterial effects on living systems as functions of nanomaterial properties; and (iv) an integrated systems approach that includes computation and simulation across orders of magnitude in time and space.

  13. Biological responses to engineered nanomaterials: Needs for the next decade

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

    Murphy, Catherine J.; Vartanian, Ariane M.; Geiger, Franz M.; Hamers, Robert J.; Pedersen, Joel A.; Cui, Qiang; Haynes, Christy L.; Carlson, Erin E.; Hernandez, Rigoberto; Klaper, Rebecca D.; et al

    2015-06-09

    In this study, the interaction of nanomaterials with biomolecules, cells, and organisms is an enormously vital area of current research, with applications in nanoenabled diagnostics, imaging agents, therapeutics, and contaminant removal technologies. Yet the potential for adverse biological and environmental impacts of nanomaterial exposure is considerable and needs to be addressed to ensure sustainable development of nanomaterials. In this Outlook four research needs for the next decade are outlined: (i) measurement of the chemical nature of nanomaterials in dynamic, complex aqueous environments; (ii) real-time measurements of nanomaterial-biological interactions with chemical specificity; (iii) delineation of molecular modes of action for nanomaterialmore » effects on living systems as functions of nanomaterial properties; and (iv) an integrated systems approach that includes computation and simulation across orders of magnitude in time and space.« less

  14. Sustainable Nanomaterials Workshop

    Broader source: Energy.gov [DOE]

    The Sustainable Nanomaterials Workshop (held in Washington, D.C., on June 26, 2012) gathered stakeholders from industry and academia to discuss the current state of the art for sustainable nanomat...

  15. Sustainable Nanomaterials from Forest Products: Umaine Perspective |

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

    Department of Energy Sustainable Nanomaterials from Forest Products: Umaine Perspective Sustainable Nanomaterials from Forest Products: Umaine Perspective PDF icon Sustainable Nanomaterials from Forest Products - Douglas Gardner, University of Maine More Documents & Publications Sustainable Nanomaterials Workshop Grand Challenges of Characterization & Modeling of Cellulose Nanomaterials Cellulose Nanomaterials: The Sustainable Material of Choice for the 21st Century

  16. Nanomaterials Information | The Ames Laboratory

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

    Industrial Hygiene Nanomaterials Information Quick Read Working Safely With Nanomaterials (OSHA Fact Sheet FS-3634) Ames Lab Information Plan 10200.035 Unbound Engineered Nanomaterials Safety Implementation Plan Form 10200.187 Unbound Engineered Nanomaterials Hazard Assessment (Fillable Form) Nanotechnology Awareness Training through ISU EHS References DOE Order 456.1 Admin Chg. 1, The Safe Handling of Unbound Engineered Nanoparticles Department of Energy Nanoscale Science Research Centers

  17. Sustainable Nanomaterials Industry Perspective

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

    Industry Perspective U.S. Department of Energy Advanced Manufacturing Office Sustainable Nanomaterials Workshop Washington, DC Mark Watkins Senior Vice President MeadWestvaco Corporation July 26, 2012 Transforming the forest products industry through innovation 2 The U.S. Forest Products Industry's Economic Impact  5% of U.S. manufacturing GDP  Ninth largest manufacturing sector in U.S.  On par with plastics and automotive  Top 10 manufacturing employer in 48 states  418 pulp and

  18. Nanomaterial-Based Electrochemical Biosensors and Bioassays

    SciTech Connect (OSTI)

    Liu, Guodong; Mao, Xun; Gurung, Anant; Baloda, Meenu; Lin, Yuehe; He, Yuqing

    2010-08-31

    This book chapter summarizes the recent advance in nanomaterials for electrochemical biosensors and bioassays. Biofunctionalization of nanomaterials for biosensors fabrication and their biomedical applications are discussed.

  19. Exploring the Possibilities of the Smallest Scales | Department of Energy

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

    Whether producing simple metallic pads for probing exciting new nanoscale systems or structuring more complicated geometries into silicon and other materials, nanofabrication lies at the heart of much of the work at Brookhaven's Center for Functional Nanomaterials (CFN). Inside the nanofabrication facility are three bays filled with state-of-the-art equipment available for use by the CFN staff, the Brookhaven community and all external users. | Photo courtesy of Brookhaven National Laboratory.

  20. Nanomaterials for renewable energy

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

    Chen, Shimou; Li, Liang; Sun, Hanwen; Sun, Jian; Lu, Baowang

    2015-05-19

    With demand for sustainable energy, resource, and environment protection, new material technologies are constantly expanding during the last few couple of decades. An intensive attention has been given by the scientific communities. In particular, nanomaterials are increasingly playing an active role either by increasing the efficiency of the energy storage and conversion processes or by improving the device design and performance. This special issue presents recent research advances in various aspects of energy storage technologies, advanced batteries, fuel cells, solar cell, biofuels, and so on. Design and synthesis of novel materials have demonstrated great impact on the utilization of themore » sustainable energy, which need to solve the increasing shortage of resource and the issues of environmental pollution.« less

  1. Sustainable Nanomaterials Workshop | Department of Energy

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

    Sustainable Nanomaterials Workshop Sustainable Nanomaterials Workshop June 26, 2012 The Sustainable Nanomaterials Workshop (held in Washington, D.C., on June 26, 2012) gathered stakeholders from industry and academia to discuss the current state of the art for sustainable nanomaterials as well as manufacturing challenges and opportunities. Sustainable nanomaterial production from forest products enables the use of renewable and sustainable resources as substitutes for petroleum-derived

  2. Nanomanufacturing Portfolio: Manufacturing Processes and Applications to Accelerate Commercial Use of Nanomaterials

    SciTech Connect (OSTI)

    Industrial Technologies Program

    2011-01-05

    This brochure describes the 31 R&D projects that AMO supports to accelerate the commercial manufacture and use of nanomaterials for enhanced energy efficiency. These cost-shared projects seek to exploit the unique properties of nanomaterials to improve the functionality of industrial processes and products.

  3. Porous substrates filled with nanomaterials

    DOE Patents [OSTI]

    Worsley, Marcus A.; Baumann, Theodore F.; Satcher, Jr., Joe H.; Stadermann, Michael

    2014-08-19

    A composition comprising: at least one porous carbon monolith, such as a carbon aerogel, comprising internal pores, and at least one nanomaterial, such as carbon nanotubes, disposed uniformly throughout the internal pores. The nanomaterial can be disposed in the middle of the monolith. In addition, a method for making a monolithic solid with both high surface area and good bulk electrical conductivity is provided. A porous substrate having a thickness of 100 microns or more and comprising macropores throughout its thickness is prepared. At least one catalyst is deposited inside the porous substrate. Subsequently, chemical vapor deposition is used to uniformly deposit a nanomaterial in the macropores throughout the thickness of the porous substrate. Applications include electrical energy storage, such as batteries and capacitors, and hydrogen storage.

  4. Implementation Plan for Chemical Industry R&D Roadmap for Nanomaterials by Design

    SciTech Connect (OSTI)

    none,

    2006-04-01

    The purpose of this effort is to develop an implementation plan to realize the vision and goals identified in the Chemical Industry R&D Roadmap for Nanomaterials By Design: From Fundamentals to Function.

  5. Sustainable Nanomaterials Workshop - Participants List

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

    Sustainable Nanomaterials Workshop June 26 th , 2012 - Washington, D.C. Participant List Michael Bilodeau University of Maine Dr. Jean Bouchard FPInnovations James Bradbury NewPage Corporation Marilyn Buford USDA FS R&D Daniel Cassidy USDA Office of the Chief Scientist Leo Christodoulou Advanced Manufacturing Office - Dept of Energy Beth Cormier Sappi Fine Paper North America John Cowie Agenda 2020 Technology Alliance Ron Crotogino ArboraNano Lynn Daniels Advanced Manufacturing Office - DOE

  6. Sustainable Nanomaterials Workshop - Tuesday June 26, 2012

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

    Sustainable Nanomaterials Workshop - Tuesday June 26, 2012 P a g e | 1 Overall Purpose To gather input from stakeholders in industry and academia on the current state of the art for Sustainable Nanomaterials, the vision for the future of this emerging technology, as well as manufacturing challenges and opportunities. Session Purposes To evaluate the status and prospects for nanomaterial manufacture from sustainable resources. To quantify supply and demand in current markets and possible future

  7. Associate Research Physicist (Nanomaterial) | Princeton Plasma...

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

    Nanomaterial) Department: Theory Supervisor(s): Igor Kaganovich Requisition Number: 1500935 Position Summary: Princeton Plasma Physics Lab (PPPL) is affiliated with both Princeton...

  8. Nano-material and method of fabrication

    DOE Patents [OSTI]

    Menchhofer, Paul A; Seals, Roland D; Howe, Jane Y; Wang, Wei

    2015-02-03

    A fluffy nano-material and method of manufacture are described. At 2000.times. magnification the fluffy nanomaterial has the appearance of raw, uncarded wool, with individual fiber lengths ranging from approximately four microns to twenty microns. Powder-based nanocatalysts are dispersed in the fluffy nanomaterial. The production of fluffy nanomaterial typically involves flowing about 125 cc/min of organic vapor at a pressure of about 400 torr over powder-based nano-catalysts for a period of time that may range from approximately thirty minutes to twenty-four hours.

  9. Nanomaterial Labels in Electrochemical Immunosensors and Immunoassays

    SciTech Connect (OSTI)

    Liu, Guodong; Lin, Yuehe

    2007-12-15

    This article reviews recent advances in nanomaterial labels in electrochemical immunosensors and immunoassays. Various nanomaterial labels are discussed, including colloidal gold/silver, semiconductor nanoparticles, and markers loaded nanocarriers (carbon nanotubes, apoferritin, silica nanoparticles, and liposome beads). The enormous signal enhancement associated with the use of nanomaterial labels and with the formation of nanomaterial–antibody-antigen assemblies provides the basis for ultrasensitive electrochemical detection of disease-related protein biomarkers, biothreat agents, or infectious agents. In general, all endeavors cited here are geared to achieve one or more of the following goals: signal amplification by several orders of magnitude, lower detection limits, and detecting multiple targets.

  10. Integrating Nanomaterial Applications in the Field of Sustainable...

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

    Integrating Nanomaterial Applications in the Field of Sustainable Biomaterials Integrating Nanomaterial Applications in the Field of Sustainable Biomaterials PDF icon Integrating...

  11. Center for Integrated Nanotechnologies (CINT) | U.S. DOE Office of Science

    Office of Science (SC) Website

    (SC) Integrated Nanotechnologies (CINT) Scientific User Facilities (SUF) Division SUF Home About User Facilities X-Ray Light Sources Neutron Scattering Facilities Nanoscale Science Research Centers (NSRCs) Center for Functional Nanomaterials (CFN) Center for Integrated Nanotechnologies (CINT) Center for Nanophase Materials Sciences (CNMS) Center for Nanoscale Materials (CNM) The Molecular Foundry (TMF) Projects Accelerator & Detector Research Science Highlights Principal Investigators'

  12. Center for Nanophase Materials Sciences (CNMS) | U.S. DOE Office of Science

    Office of Science (SC) Website

    (SC) Nanophase Materials Sciences (CNMS) Scientific User Facilities (SUF) Division SUF Home About User Facilities X-Ray Light Sources Neutron Scattering Facilities Nanoscale Science Research Centers (NSRCs) Center for Functional Nanomaterials (CFN) Center for Integrated Nanotechnologies (CINT) Center for Nanophase Materials Sciences (CNMS) Center for Nanoscale Materials (CNM) The Molecular Foundry (TMF) Projects Accelerator & Detector Research Science Highlights Principal Investigators'

  13. Center for Nanoscale Materials (CNM) | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Nanoscale Materials (CNM) Scientific User Facilities (SUF) Division SUF Home About User Facilities X-Ray Light Sources Neutron Scattering Facilities Nanoscale Science Research Centers (NSRCs) Center for Functional Nanomaterials (CFN) Center for Integrated Nanotechnologies (CINT) Center for Nanophase Materials Sciences (CNMS) Center for Nanoscale Materials (CNM) The Molecular Foundry (TMF) Projects Accelerator & Detector Research Science Highlights Principal Investigators' Meetings BES Home

  14. Recovery Act Provides Big Boost with a Nanoscale Focus | Department of

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

    Energy Andy Oare Andy Oare Former New Media Strategist, Office of Public Affairs What are the key facts? The Center for Functional Nanomaterials is getting a new electron microscope that will be valuable for solar cell research -- one of 7 ARRA-funded additions at the Brookhaven National Laboratory facility. Editor's note: cross posted from the Brookhaven National Laboratory The Center for Functional Nanomaterials (CFN) at Brookhaven National Laboratory is receiving more than $5 million in

  15. Assembly of ordered carbon shells on semiconducting nanomaterials

    DOE Patents [OSTI]

    Sutter, Eli Anguelova; Sutter, Peter Werner

    2012-10-02

    In some embodiments of the invention, encapsulated semiconducting nanomaterials are described. In certain embodiments the nanostructures described are semiconducting nanomaterials encapsulated with ordered carbon shells. In some aspects a method for producing encapsulated semiconducting nanomaterials is disclosed. In some embodiments applications of encapsulated semiconducting nanomaterials are described.

  16. Assembly of ordered carbon shells on semiconducting nanomaterials

    DOE Patents [OSTI]

    Sutter, Eli Anguelova; Sutter, Peter Werner

    2010-05-11

    In some embodiments of the invention, encapsulated semiconducting nanomaterials are described. In certain embodiments the nanostructures described are semiconducting nanomaterials encapsulated with ordered carbon shells. In some aspects a method for producing encapsulated semiconducting nanomaterials is disclosed. In some embodiments applications of encapsulated semiconducting nanomaterials are described.

  17. Nanomaterials Safety Implementation Plan, Ames Laboratory | Department of

    Office of Environmental Management (EM)

    Energy Nanomaterials Safety Implementation Plan, Ames Laboratory Nanomaterials Safety Implementation Plan, Ames Laboratory Ames Laboratory has limited activities involving nanomaterials. Potential hazards associated with nanomaterials work are addressed through the Laboratory's Integrated Safety Management System (ISMS) and specifically the Readiness Review process. Readiness Review provides the identification and evaluation of potential hazards and establishes effective control mechanisms

  18. Toxicology and cellular effect of manufactured nanomaterials

    DOE Patents [OSTI]

    Chen, Fanqing

    2014-07-22

    The increasing use of nanotechnology in consumer products and medical applications underlies the importance of understanding its potential toxic effects to people and the environment. Herein are described methods and assays to predict and evaluate the cellular effects of nanomaterial exposure. Exposing cells to nanomaterials at cytotoxic doses induces cell cycle arrest and increases apoptosis/necrosis, activates genes involved in cellular transport, metabolism, cell cycle regulation, and stress response. Certain nanomaterials induce genes indicative of a strong immune and inflammatory response within skin fibroblasts. Furthermore, the described multiwall carbon nanoonions (MWCNOs) can be used as a therapeutic in the treatment of cancer due to its cytotoxicity.

  19. The Tactical and Strategic Implementation of Sustainable Nanomaterials

    Broader source: Energy.gov [DOE]

    Presentation for the Sustainable Nanomaterials Workshop by Verso Paper Corp. and TAPPI held on June 26, 2012

  20. Grand Challenges of Characterization & Modeling of Cellulose Nanomaterials

    Broader source: Energy.gov [DOE]

    Presentation for the Sustainable Nanomaterials Workshop by U.S. Forest Service and Purdue University held on June 26, 2012

  1. Green chemical synthesis of silver nanomaterials with maltodextrin.

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Conference: Green chemical synthesis of silver nanomaterials with maltodextrin. Citation Details In-Document Search Title: Green chemical synthesis of silver nanomaterials with maltodextrin. Silver nanomaterials have significant application resulting from their optical properties related to surface enhanced Raman spectroscopy, high electrical conductivity, and anti-microbial impact. A 'green chemistry' synthetic approach for silver nanomaterials minimizes the

  2. Integrating Nanomaterial Applications in the Field of Sustainable Biomaterials

    Broader source: Energy.gov [DOE]

    Presentation for the Sustainable Nanomaterials Workshop by Sistainable Biomaterials, ICTAS, and Virginia Tech held on June 26, 2012

  3. Nanomaterial Laboratory Safety, Boise State University | Department of

    Office of Environmental Management (EM)

    Energy Nanomaterial Laboratory Safety, Boise State University Nanomaterial Laboratory Safety, Boise State University A nanomaterial, as defined by The ASTM Committee on Nanotechnology, is a particle withlengths in 2 or 3 dimensions between 1 to 100 nm that mayor may not have a size related intensive property. Nanomaterials are of increasing interest due to their unique properties compared to the same material on the micro and macroscopic scales and their potential associated applications

  4. Nanomaterials Analysis using a Scanning Electron Microscope | Argonne

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

    National Laboratory Nanomaterials Analysis using a Scanning Electron Microscope Technology available for licensing: Steradian X-ray detection system increases the detection capability of SEMs during nanomaterials analysis. Increases detection capabilities of SEMs at the nanoscale by up to 500% Reduces the time and cost of routine nanomaterials analysis PDF icon PiSteradian

  5. Grand Challenges of Characterization & Modeling of Cellulose Nanomaterials

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

    Grand Challenges of Characterization & Modeling of Cellulose Nanomaterials Robert Moon Adjunct Assistant Professor Materials Engineering Purdue University Materials Research Engineer US Forest Service Forest Products Laboratory DOE- Sustainable Nanomaterials Workshop, 26 June, 2012 Cellulose Nanomaterials (CN) 2 * Influence: * Cellulose Source * Extraction Process * Two Particle Morphologies: * Rod: CNC, NCC, NCW, NCXLS * Fibrillar: CNF, NFC, MFC, BC, AC * Questions: * What to Characterize?

  6. Microsoft Word - CFN ref. IO-14-CFT-9560-ACS CP3 CFN Technical...

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

    - French Order 2005 December 12 th for nuclear pressurised equipment (ESPN) 5 Directive 200642EC of the European Parliament and of the Council of 17 May 2006 on...

  7. Microtubule-based nanomaterials: Exploiting nature's dynamic biopolymers

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

    Bachand, George D.; Stevens, Mark J.; Spoerke, Erik David

    2015-04-09

    For more than a decade now, biomolecular systems have served as an inspiration for the development of synthetic nanomaterials and systems that are capable of reproducing many of unique and emergent behaviors of living systems. In addition, one intriguing element of such systems may be found in a specialized class of proteins known as biomolecular motors that are capable of performing useful work across multiple length scales through the efficient conversion of chemical energy. Microtubule (MT) filaments may be considered within this context as their dynamic assembly and disassembly dissipate energy, and perform work within the cell. MTs are onemore » of three cytoskeletal filaments in eukaryotic cells, and play critical roles in a range of cellular processes including mitosis and vesicular trafficking. Based on their function, physical attributes, and unique dynamics, MTs also serve as a powerful archetype of a supramolecular filament that underlies and drives multiscale emergent behaviors. In this review, we briefly summarize recent efforts to generate hybrid and composite nanomaterials using MTs as biomolecular scaffolds, as well as computational and synthetic approaches to develop synthetic one-dimensional nanostructures that display the enviable attributes of the natural filaments.« less

  8. Microtubule-based nanomaterials: Exploiting nature's dynamic biopolymers.

    SciTech Connect (OSTI)

    Bachand, George D.; Stevens, Mark J.; Spoerke, Erik David

    2015-04-09

    For more than a decade now, biomolecular systems have served as an inspiration for the development of synthetic nanomaterials and systems that are capable of reproducing many of unique and emergent behaviors of living systems. In addition, one intriguing element of such systems may be found in a specialized class of proteins known as biomolecular motors that are capable of performing useful work across multiple length scales through the efficient conversion of chemical energy. Microtubule (MT) filaments may be considered within this context as their dynamic assembly and disassembly dissipate energy, and perform work within the cell. MTs are one of three cytoskeletal filaments in eukaryotic cells, and play critical roles in a range of cellular processes including mitosis and vesicular trafficking. Based on their function, physical attributes, and unique dynamics, MTs also serve as a powerful archetype of a supramolecular filament that underlies and drives multiscale emergent behaviors. In this review, we briefly summarize recent efforts to generate hybrid and composite nanomaterials using MTs as biomolecular scaffolds, as well as computational and synthetic approaches to develop synthetic one-dimensional nanostructures that display the enviable attributes of the natural filaments. Biotechnol. Bioeng.

  9. Using DNA to Build Nanomaterials

    DOE R&D Accomplishments [OSTI]

    Walsh, Karen McNulty

    2011-05-09

    Scientists use complementary strands of synthetic DNA to build functional materials from the bottom up. Future applications include biosensors, optical nano-devices, and new kinds of solar cells.

  10. Manufacturing Innovation Topics Workshop: Engineered Nanomaterials

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

    Manufacturing Innovation Topics Workshop: Engineered Nanomaterials * Click to edit Master text styles - Second level * Third level - Fourth level » Fifth level Agenda * Focus Area Introduction: The State of Nanotechnology Today - Discussion of current applications, market sectors - Analysis of industry challenges and risks - Review of government Nano IMI planning activities to-date * Review of Nanotechnology Processes/Ecosystem * Economic Impact of Advancement of Nanotechnology * The Role of

  11. Sustainable Nanomaterials from Forest Products: Umaine Perspective

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

    from Forest Products: Umaine Perspective Douglas Gardner, PhD. Advanced Structures & Composite Center Forest Bioproducts Research Institute School of Forest Resources, University of Maine Ligno-Cellulose: Maine's Niche to Compete in Nanotech Stone Age ....... Bronze Age .......... Iron Age ................ Nano Age? "From the Sawmill to the Nanomill?" Overarching Research Focus "Establish world-class R&D capacity in the field of ligno-cellulose derived nanomaterials

  12. Quick, Efficient Film Deposition for Nanomaterials - Energy Innovation

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

    Portal Solar Photovoltaic Solar Photovoltaic Find More Like This Return to Search Quick, Efficient Film Deposition for Nanomaterials Oak Ridge National Laboratory Contact ORNL About This Technology Publications: PDF Document Publication Quick, Efficient Film Deposition for Nanomaterials (900 KB) Technology Marketing SummaryResearchers at ORNL developed a process for manufacturing a thin film from a layer of particles, as well as complex three dimensional devices. The nanomaterials are

  13. Computational Design of Self-Assembling Protein Nanomaterials...

    Office of Scientific and Technical Information (OSTI)

    Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy Citation Details In-Document Search Title: Computational Design of Self-Assembling ...

  14. Nanomaterials: Organic and Inorganic for Next-Generation Diesel...

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

    Papers Appendix of Supporting Information - 21CTP-0003, December 2006 Integrating Nanomaterial Applications in the Field of Sustainable Biomaterials ITP Nanomanufacturing:...

  15. Nanomaterial-Based Biosensors for Detection of Pesticides and Explosives

    SciTech Connect (OSTI)

    Wang, Jun; Lin, Yuehe

    2009-01-01

    In this chapter, we describe nanomaterial-based biosensors for detecting OP pesticides and explosives. CNTs and functionalized silica nanoparticles have been chosen for this study. The biosensors were combined with the flow-injection system, providing great advantages for onsite, real-time, and continuous detection of environmental pollutants such as OPs and TNT. The sensors take advantage of the electrocatalytic properties of CNTs, which makes it feasible to achieve a sensitive electrochemical detection of the products from enzymatic reactions at low potential. This approach uses a large aspect ratio of silica nanoparticles, which can be used as a carrier for loading a large amount of electroactive species, such as poly(guanine), for amplified detection of explosives. These methods offer a new environmental monitoring tool for rapid, inexpensive, and highly sensitive detection of OPs or TNT compounds.

  16. Nanoscale Science Research Centers (NSRCs) | U.S. DOE Office of Science

    Office of Science (SC) Website

    (SC) Scientific User Facilities (SUF) Division SUF Home About User Facilities X-Ray Light Sources Neutron Scattering Facilities Nanoscale Science Research Centers (NSRCs) Center for Functional Nanomaterials (CFN) Center for Integrated Nanotechnologies (CINT) Center for Nanophase Materials Sciences (CNMS) Center for Nanoscale Materials (CNM) The Molecular Foundry (TMF) Projects Accelerator & Detector Research Science Highlights Principal Investigators' Meetings BES Home User Facilities

  17. Nanomaterials for Hydrogen Storage Applications: A Review

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

    Niemann, Michael U.; Srinivasan, Sesha S.; Phani, Ayala R.; Kumar, Ashok; Goswami, D. Yogi; Stefanakos, Elias K.

    2008-01-01

    Nmore » anomaterials have attracted great interest in recent years because of the unusual mechanical, electrical, electronic, optical, magnetic and surface properties. The high surface/volume ratio of these materials has significant implications with respect to energy storage. Both the high surface area and the opportunity for nanomaterial consolidation are key attributes of this new class of materials for hydrogen storage devices. Nanostructured systems including carbon nanotubes, nano-magnesium based hydrides, complex hydride/carbon nanocomposites, boron nitride nanotubes, TiS 2 / MoS 2 nanotubes, alanates, polymer nanocomposites, and metal organic frameworks are considered to be potential candidates for storing large quantities of hydrogen. Recent investigations have shown that nanoscale materials may offer advantages if certain physical and chemical effects related to the nanoscale can be used efficiently. The present review focuses the application of nanostructured materials for storing atomic or molecular hydrogen. The synergistic effects of nanocrystalinity and nanocatalyst doping on the metal or complex hydrides for improving the thermodynamics and hydrogen reaction kinetics are discussed. In addition, various carbonaceous nanomaterials and novel sorbent systems (e.g. carbon nanotubes, fullerenes, nanofibers, polyaniline nanospheres and metal organic frameworks etc.) and their hydrogen storage characteristics are outlined.« less

  18. Quarterly Report: Microchannel-Assisted Nanomaterial Deposition Technology for Photovoltaic Material Production

    SciTech Connect (OSTI)

    Palo, Daniel R.

    2011-04-26

    Quarterly report to ITP for Nanomanufacturing program. Report covers FY11 Q2. The primary objective of this project is to develop a nanomanufacturing process which will reduce the manufacturing energy, environmental discharge, and production cost associated with current nano-scale thin-film photovoltaic (PV) manufacturing approaches. The secondary objective is to use a derivative of this nanomanufacturing process to enable greener, more efficient manufacturing of higher efficiency quantum dot-based photovoltaic cells now under development. The work is to develop and demonstrate a scalable (pilot) microreactor-assisted nanomaterial processing platform for the production, purification, functionalization, and solution deposition of nanomaterials for photovoltaic applications. The high level task duration is shown. Phase I consists of a pilot platform for Gen II PV films along with parallel efforts aimed at Gen III PV quantum dot materials. Status of each task is described.

  19. Packaging Materials of the 21st Century: "Sustainable Nano-Materials- Benefits to the industry"

    Broader source: Energy.gov [DOE]

    Presentation for the Sustainable Nanomaterials Workshop by Nanocellulose Work Group held on June 26, 2012

  20. Cellulose Nanomaterials: The Sustainable Material of Choice for the 21st Century

    Broader source: Energy.gov [DOE]

    Presentation for the Sustainable Nanomaterials Workshop by USDA Forest Service held on June 26, 2012

  1. Sustainable Nano-Materials: What is happening at the cellular level?

    Broader source: Energy.gov [DOE]

    Presentation for the Sustainable Nanomaterials Workshop by Georgia Institute of Technology held on June 26, 2012

  2. Electron beam assisted synthesis of cadmium selenide nanomaterials

    SciTech Connect (OSTI)

    Rath, M. C.; Guleria, A.; Singh, S.; Singh, A. K.; Adhikari, S.; Sarkar, S. K.

    2013-02-05

    Cadmium selenide nanomaterials of various shapes and sizes have been synthesized in different condensed media through electron beam irradiation using a 7 MeV linear accelerator. The microstructures in different media as well as the presence of capping reagents play a crucial role in the formation of nanomaterials of different shapes and sizes. Their optical properties could be efficiently tuned by controlling the synthetic parameters.

  3. Computational Design of Self-Assembling Protein Nanomaterials with Atomic

    Office of Scientific and Technical Information (OSTI)

    Level Accuracy (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy Citation Details In-Document Search Title: Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy We describe a general computational method for designing proteins that self-assemble to a desired symmetric architecture. Protein building blocks are docked together

  4. Bioremediation of nanomaterials (Patent) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Patent: Bioremediation of nanomaterials Citation Details In-Document Search Title: Bioremediation of nanomaterials The present invention provides a method comprising the use of microorganisms for nanotoxicity study and bioremediation. In some embodiment, the microorganisms are bacterial organisms such as Gram negative bacteria, which are used as model organisms to study the nanotoxicity of the fullerene compounds: E. coli W3110, a human related enterobacterium and Shewanella oneidensis MR-1, an

  5. Nanomaterials: Organic and Inorganic for Next-Generation Diesel

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

    Technologies | Department of Energy Nanomaterials: Organic and Inorganic for Next-Generation Diesel Technologies Nanomaterials: Organic and Inorganic for Next-Generation Diesel Technologies 2007 Diesel Engine-Efficiency & Emissions Research Conference (DEER 2007). 13-16 August, 2007, Detroit, Michigan. Sponsored by the U.S. Department of Energy's (DOE) Office of FreedomCAR and Vehicle Technologies (OFCVT). PDF icon deer07_vanderwal.pdf More Documents & Publications 21st Century Truck

  6. Project Profile: Nanomaterials for Thermal Energy Storage in CSP Plants |

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

    Department of Energy Nanomaterials for Thermal Energy Storage in CSP Plants Project Profile: Nanomaterials for Thermal Energy Storage in CSP Plants National Renewable National Laboratory logo The National Renewable Energy Laboratory (NREL), under an ARRA CSP Award, is extending previous work on nanoscale phase change materials to develop materials with technologically relevant temperature ranges and encapsulation structures. Approach Image of round and square particles floating together on

  7. Mesoporous Silica Nanomaterials for Applications in Catalysis, Sensing,

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

    Drug Delivery and Gene Transfection (Thesis/Dissertation) | SciTech Connect Thesis/Dissertation: Mesoporous Silica Nanomaterials for Applications in Catalysis, Sensing, Drug Delivery and Gene Transfection Citation Details In-Document Search Title: Mesoporous Silica Nanomaterials for Applications in Catalysis, Sensing, Drug Delivery and Gene Transfection × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific

  8. The Tactical and Strategic Implementation of Sustainable Nanomaterials

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

    Advanced Manufacturing Office Sustainable Nanomaterials Workshop Washington, DC Sean Ireland Verso Paper Corp. & Chairman, TAPPI Nanotechnology Division July 26, 2012 The Tactical and Strategic Implementation of Sustainable Nanomaterials Verso Paper Corp  Verso is one of North America's Leading Manufacturers of Coated Papers  Four paper mills with 1.8 Million tons of paper capacity  $1.72 billion in Net Sales for 2011  Market Leader in our two end-user segments (Magazines and

  9. Lab Breakthrough: Nanomaterials Discoveries Lead to Possible Cancer

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

    Treatment | Department of Energy Nanomaterials Discoveries Lead to Possible Cancer Treatment Lab Breakthrough: Nanomaterials Discoveries Lead to Possible Cancer Treatment June 4, 2012 - 3:05pm Addthis Argonne nanoscientist Elena Rozhkova is studying ways to enlist nanoparticles to treat brain cancer. This nano-bio technology may eventually provide an alternative form of therapy that targets only cancer cells and does not affect normal living tissue. View the entire Lab Breakthrough playlist.

  10. Nanomaterials driven energy, environmental and biomedical research

    SciTech Connect (OSTI)

    Sharma, Prakash C.; Srinivasan, Sesha S.; Wilson, Jeremiah F.

    2014-03-31

    We have developed state-of-the-art nanomaterials such as nanofibers, nanotubes, nanoparticles, nanocatalysts and nanostructures for clean energy, environmental and biomedical research. Energy can neither be created nor be destroyed, but it can be converted from one form to another. Based on this principle, chemical energy such as hydrogen has been produced from water electrolysis at a much lower voltage using RuO{sub 2} nanoparticles on the Si wafer substrate. Once the hydrogen is produced from the clean sources such as solar energy and water, it has to be stored by physisorption or chemisorption processes on to the solid state systems. For the successful physical adsorption of hydrogen molecule, we have developed novel polyaniline nanostructures via chemical templating and electrospinning routes. Chemical or complex hydrides involving nano MgH{sub 2} and transition metal nanocatalysts have been synthesized to tailor both the thermodynamics and kinetics of hydrogen (chemi) sorption respectively. Utilization of solar energy (UV-Vis) and a coupling of novel semiconductor oxide nanoparticles have been recently demonstrated with enhancement in photo-oxidation and/or photo-reduction processes for the water/air detoxification and sustainable liquid fuel production respectively. Magnetic nanoparticles such as ZnFe{sub 2}O{sub 4} have been synthesized and optimized for biomedical applications such as targeted drug delivery and tumor diagnostic sensing (MRI)

  11. Challenges for In vitro to in Vivo Extrapolation of Nanomaterial Dosimetry for Human Risk Assessment

    SciTech Connect (OSTI)

    Smith, Jordan N.

    2013-11-01

    The proliferation in types and uses of nanomaterials in consumer products has led to rapid application of conventional in vitro approaches for hazard identification. Unfortunately, assumptions pertaining to experimental design and interpretation for studies with chemicals are not generally appropriate for nanomaterials. The fate of nanomaterials in cell culture media, cellular dose to nanomaterials, cellular dose to nanomaterial byproducts, and intracellular fate of nanomaterials at the target site of toxicity all must be considered in order to accurately extrapolate in vitro results to reliable predictions of human risk.

  12. Self-Assembly by Instruction: Designing Nanoscale Systems Using DNA-Based Approaches (474th Brookhaven Lecture)

    SciTech Connect (OSTI)

    Gang, Oleg

    2012-01-18

    In the field of nanoscience, if you can control how nanoparticles self-assemble in particular structures — joining each other, for example, as molecules can form, atom-by-atom — you can design new materials that have unique properties that industry needs. Nature already uses the DNA genetic code to instruct the building of specific proteins and whole organisms in both plants and people. Taking a cue from nature, scientists at BNL devised a way of using strands of synthetic DNA attached to the surface of nanoparticles to instruct them to self-assemble into specific nanoscale structures, clusters, and three-dimensional organizations. Novel materials designed and fabricated this way promise use in photovoltaics, energy storage, catalysis, cell-targeted systems for more effective medical treatments, and biomolecular sensing for environmental monitoring and medical applications. To find out more about the rapid evolution of this nanoassembly method and its applications, join Physicist Oleg Gang of the Center for Functional Nanomaterials (CFN) as he gives the 474th Brookhaven Lecture, titled “Self-Assembly by Instruction: Designing Nanoscale Systems Using DNA-Based Approaches." Gang, who has led this work at the CFN, will explain the rapid evolution of this nanoassembly method, and discuss its present and future applications in highly specific biosensors, optically active nano-materials, and new ways to fabricate complex architectures in a rational manner via self-assembly. Gang and his colleagues used the CFN and the National Synchrotron Light Source (NSLS) facilities to perform their groundbreaking research. At the CFN, the scientists used electron microscopes and optical methods to visualize the clusters that they fabricated. At the NSLS, they applied x-rays to study a particles-assembly process in solution, DNA’s natural environment. Gang earned a Ph.D. in soft matter physics from Bar-Ilan University in 2000, and he was a Rothschild Fellow at Harvard University from 1999 to 2002. After joining BNL as a Goldhaber Fellow in 2002, he became an assistant scientist at the CFN in 2004. He became the CFN’s leader for Soft and Biological Nanomaterials Theme Group in 2006, and earned the title of scientist in 2009. Gang has received numerous honors and recognitions, including the 2010 Gordon Battelle Prize for Scientific Discovery.

  13. Cellulose Nanomaterials: The Sustainable Material of Choice for the 21st Century

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

    Theodore H. Wegner, Ph.D. Assistant Director USDA Forest Service Forest Products Laboratory June 26, 2012 Cellulose Nanomaterials: The Sustainable Material of Choice for the 21 st Century Sustainable Nanomaterials Workshop * Wood: a Sustainable & Renewable Material * Cellulosic Nanomaterials From Wood Overview 3 Top 5 forested countries: Russian Federation........................809 million ha.......20.6% world's forests Brazil................................................520 million

  14. Combustion process for synthesis of carbon nanomaterials from liquid hydrocarbon

    DOE Patents [OSTI]

    Diener, Michael D.; Alford, J. Michael; Nabity, James; Hitch, Bradley D.

    2007-01-02

    The present invention provides a combustion apparatus for the production of carbon nanomaterials including fullerenes and fullerenic soot. Most generally the combustion apparatus comprises one or more inlets for introducing an oxygen-containing gas and a hydrocarbon fuel gas in the combustion system such that a flame can be established from the mixed gases, a droplet delivery apparatus for introducing droplets of a liquid hydrocarbon feedstock into the flame, and a collector apparatus for collecting condensable products containing carbon nanomaterials that are generated in the combustion system. The combustion system optionally has a reaction zone downstream of the flame. If this reaction zone is present the hydrocarbon feedstock can be introduced into the flame, the reaction zone or both.

  15. Development of Integrated Microanalysis of Nanomaterials (06-ERI-001)

    SciTech Connect (OSTI)

    Bradley, J P

    2009-10-07

    Comets--small extraterrestrial bodies of ice, dust, and small rocky particles--are considered the oldest, most primitive bodies in the solar system. They were thought to be composed of preserved interstellar particles from 4.6 billion years ago, when the Sun and the planets began to form from a primordial disk of dust and gas. The nonvolatile mineral components of comets are probably natural nanomaterials that include preserved interstellar dust as well as the first solids condensed in the solar system. Thus, comet samples may be considered as forensic 'time capsules' from the presolar molecular cloud and the earliest stages of solar system formation. Cometary material was captured in 2004, when the National Aeronautics and Space Administration's Stardust spacecraft flew through the coma of comet Wild as it neared the orbit of Mars. As Stardust approached the 4.5-kilometer-diameter comet, the spacecraft briefly extended a collector filled with lightweight aerogel glass foam to capture thousands of tiny particles. On January 15, 2006, the spacecraft ejected its sample return capsule onto the Utah desert southwest of Salt Lake City. Researchers at LLNL supported by this LDRD were part of a collaborative team investigating the mineralogical, chemical, and isotopic compositions of natural cometary nanomaterials from the Stardust mission using the unique array of analytical facilities at Livermore. The studies have provided provide new insight into cosmically primitive materials that will enable a better understanding of the earliest stages of disk accretion around stars. The skills and analysis techniques developed for the characterization of these natural nanomaterials are synergistic with several Livermore programmatic needs in the emerging fields of nanomaterials, nanotechnology and forensics. The Stardust samples are also ideal training materials for a new generation of young scientists using state-of-the-art analytical instruments at the Laboratory.

  16. Center for Nanophase Materials Sciences (CNMS) - Nanomaterials Theory

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

    Institute (NTI): Computational Nanoscience End-station (CNE) NANOMATERIALS THEORY INSTITUTE (NTI): Computational Nanoscience End-station (CNE) In analogy to experimental end-stations at large experimental facilities, the Computational Nanoscience End-station (CNE) provides users with the leading edge scientific instrumentation (i.e., modeling software) and expertise to perform scientific research at scale on leadership computing facilities such as the Oak Ridge Leadership Computing Facility

  17. Hongyou Fan Chosen for Prestigious Lecture on Creating Nanomaterials

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

    Hongyou Fan Chosen for Prestigious Lecture on Creating Nanomaterials - 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 Fuel

  18. Center for Nanophase Materials Sciences (CNMS) - BIO-Inspired Nanomaterials

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

    Capabiities BIO-INSPIRED NANOMATERIALS CAPABILITIES Multimodality live-cell imaging (located outside of the CNMS) This laboratory provides full capabilities to manipulate and image hydrated biological samples. Major imaging instruments include: Live Cell Zeiss LSM 710 High Resolution Confocal Microscopy A Carl Zeiss 710 confocal microscope with an environmentally controlled stage is available for live cell multi-channel imaging of biological samples. Zeiss Elyra Superresolution Confocal

  19. Multitasking mesoporous nanomaterials for biorefinery applications

    SciTech Connect (OSTI)

    Kandel, Kapil

    2013-05-02

    Mesoporous silica nanoparticles (MSNs) have attracted great interest for last two decades due to their unique and advantageous structural properties, such as high surface area, pore volume, stable mesostructure, tunable pore size and controllable particle morphology. The robust silica framework provides sites for organic modifications, making MSNs ideal platforms for adsorbents and supported organocatalysts. In addition, the pores of MSNs provide cavities/ channels for incorporation of metal and metal oxide nanoparticle catalysts. These supported metal nanoparticle catalysts benefit from confined local environments to enhance their activity and selectivity for various reactions. Biomass is considered as a sustainable feedstock with potential to replace diminishing fossil fuels for the production of biofuels. Among several strategies, one of the promising methods of biofuel production from biomass is to reduce the oxygen content of the feedstock in order to improve the energy density. This can be achieved by creating C-C bonds between biomass derived intermediates to increase the molecular weight of the final hydrocarbon molecules. In this context, pore size and organic functionality of MSNs are varied to obtain the ideal catalyst for a C-C bond forming reaction: the aldol condensation. The mechanistic aspects of this reaction in supported heterogeneous catalysts are explored. The modification of supported organocatalyst and the effect of solvent on the reaction are rationalized. The significance of two functional surfaces of MSNs is exploited by enzyme immobilization on the external surface and organo catalyst functionalization on the internal surface. Using this bifunctional catalyst, the tandem conversion of small chain alcohols into longer chain hydrocarbon molecules is demonstrated. The ability to incorporate metal and metal oxide nanoparticles in the pores and subsequent functionalization led to develop organic modified magnetic MSNs (OM-MSNs) for applications in microalgae biorefinery. Two different integrated biorefinery systems are highlighted. (i) OM-MSNs are used to harvest microalgae and selectively sequester free fatty acids (FFAs). (ii) OM-MSNs are shown to selectively sequester FFAs and convert them into diesel-range liquid hydrocarbon fuels. A similar MSN supported metal nanoparticle catalyst is demonstrated to transform FFAs into green diesel with even greater activity and selectivity. The incorporation of a different organic functional group into MSN provides a selective adsorbent for separation and purification of ?-tocopherol from microalgae oil. The functional group with electron deficient aromatic rings demonstrated high sequestration capacity and selectivity of {alpha}-tocopherol.

  20. An integrated approach for the in vitro dosimetry of engineered nanomaterials

    SciTech Connect (OSTI)

    Cohen, J.; Teeguarden, Justin G.; Demokritou, P.

    2014-01-01

    Background: There is a great need for screening tools capable of rapidly assessing nanomaterial toxicity. One impediment to the development of reliable in vitro screening methods is the need for accurate measures of cellular dose. We present here a methodology that enables accurate determination of delivered to cell dose metrics. This methodology includes (1) standardization of engineered nanomaterial (ENM) suspension reparation; (2) measurement of ENM characteristics controlling delivery to cells in culture; and (3) calculation of delivered dose as a function of exposure time using the ISDD model. The approach is validated against experimentally measured doses, and simplified analytical expressions for the delivered dose (Relevant In Vitro Dose (RID)f function) are derived for 20 ENMs. These functions can be used by nanotoxicologists to accurately calculate the total mass (RIDM), surface area (RIDSA), or particle number (RIDN) delivered to cells as a function of exposure time. Results: The proposed methodology was used to derive the effective density, agglomerate diameter and RID functions for 17 industrially-relevant metal and metal oxide ENMs, two carbonaceous nanoparticles, and non-agglomerating gold nanospheres, for two well plate configurations (96 and 384 well plates). For agglomerating ENMs, the measured effective density was on average 60% below the material density. We report great variability in delivered dose metrics, with some materials depositing within 24 hours while others require over 100 hours for delivery to cells. A neutron-activated tracer particle system was employed to validate the proposed in vitro dosimetry methodology for a number of ENMs (measured delivered to cell dose within 9% of estimated). Conclusions: Our findings confirm and extend experimental and computational evidence that agglomerate characteristics affect the dose delivered to cells. Therefore measurement of these characteristics is critical for effective use of in vitro systems for nanotoxicology. The mixed experimental/computational approach to cellular dosimetry proposed and validated here can be used by nanotoxicologists to accurately calculate the delivered to cell dose metrics for various ENMs and in vitro conditions as a function of exposure time. The RID functions and characterization data for widely used ENMs presented here can together be used by experimentalists to design and interpret toxicity studies.

  1. Structural simulations of nanomaterials self-assembled from ionic macrocycles.

    SciTech Connect (OSTI)

    van Swol, Frank B.; Medforth, Craig John

    2010-10-01

    Recent research at Sandia has discovered a new class of organic binary ionic solids with tunable optical, electronic, and photochemical properties. These nanomaterials, consisting of a novel class of organic binary ionic solids, are currently being developed at Sandia for applications in batteries, supercapacitors, and solar energy technologies. They are composed of self-assembled oligomeric arrays of very large anions and large cations, but their crucial internal arrangement is thus far unknown. This report describes (a) the development of a relevant model of nonconvex particles decorated with ions interacting through short-ranged Yukawa potentials, and (b) the results of initial Monte Carlo simulations of the self-assembly binary ionic solids.

  2. Burners and combustion apparatus for carbon nanomaterial production

    DOE Patents [OSTI]

    Alford, J. Michael; Diener, Michael D; Nabity, James; Karpuk, Michael

    2013-02-05

    The invention provides improved burners, combustion apparatus, and methods for carbon nanomaterial production. The burners of the invention provide sooting flames of fuel and oxidizing gases. The condensable products of combustion produced by the burners of this invention produce carbon nanomaterials including without limitation, soot, fullerenic soot, and fullerenes. The burners of the invention do not require premixing of the fuel and oxidizing gases and are suitable for use with low vapor pressure fuels such as those containing substantial amounts of polyaromatic hydrocarbons. The burners of the invention can operate with a hot (e.g., uncooled) burner surface and require little, if any, cooling or other forms of heat sinking. The burners of the invention comprise one or more refractory elements forming the outlet of the burner at which a flame can be established. The burners of the invention provide for improved flame stability, can be employed with a wider range of fuel/oxidizer (e.g., air) ratios and a wider range of gas velocities, and are generally more efficient than burners using water-cooled metal burner plates. The burners of the invention can also be operated to reduce the formation of undesirable soot deposits on the burner and on surfaces downstream of the burner.

  3. Burners and combustion apparatus for carbon nanomaterial production

    DOE Patents [OSTI]

    Alford, J. Michael (Lakewood, CO); Diener, Michael D. (Denver, CO); Nabity, James (Arvada, CO); Karpuk, Michael (Boulder, CO)

    2007-10-09

    The invention provides improved burners, combustion apparatus, and methods for carbon nanomaterial production. The burners of the invention provide sooting flames of fuel and oxidizing gases. The condensable products of combustion produced by the burners of this invention produce carbon nanomaterials including without limitation, soot, fullerenic soot, and fullerenes. The burners of the invention do not require premixing of the fuel and oxidizing gases and are suitable for use with low vapor pressure fuels such as those containing substantial amounts of polyaromatic hydrocarbons. The burners of the invention can operate with a hot (e.g., uncooled) burner surface and require little, if any, cooling or other forms of heat sinking. The burners of the invention comprise one or more refractory elements forming the outlet of the burner at which a flame can be established. The burners of the invention provide for improved flame stability, can be employed with a wider range of fuel/oxidizer (e.g., air) ratios and a wider range of gas velocities, and are generally more efficient than burners using water-cooled metal burner plates. The burners of the invention can also be operated to reduce the formation of undesirable soot deposits on the burner and on surfaces downstream of the burner.

  4. Advanced Nanomaterials for High-Efficiency Solar Cells

    SciTech Connect (OSTI)

    Chen, Junhong

    2013-11-29

    Energy supply has arguably become one of the most important problems facing humankind. The exponential demand for energy is evidenced by dwindling fossil fuel supplies and record-high oil and gas prices due to global population growth and economic development. This energy shortage has significant implications to the future of our society, in addition to the greenhouse gas emission burden due to consumption of fossil fuels. Solar energy seems to be the most viable choice to meet our clean energy demand given its large scale and clean/renewable nature. However, existing methods to convert sun light into electricity are not efficient enough to become a practical alternative to fossil fuels. This DOE project aims to develop advanced hybrid nanomaterials consisting of semiconductor nanoparticles (quantum dots or QDs) supported on graphene for cost-effective solar cells with improved conversion efficiency for harvesting abundant, renewable, clean solar energy to relieve our global energy challenge. Expected outcomes of the project include new methods for low-cost manufacturing of hybrid nanostructures, systematic understanding of their properties that can be tailored for desired applications, and novel photovoltaic cells. Through this project, we have successfully synthesized a number of novel nanomaterials, including vertically-oriented graphene (VG) sheets, three-dimensional (3D) carbon nanostructures comprising few-layer graphene (FLG) sheets inherently connected with CNTs through sp{sup 2} carbons, crumpled graphene (CG)-nanocrystal hybrids, CdSe nanoparticles (NPs), CdS NPs, nanohybrids of metal nitride decorated on nitrogen-doped graphene (NG), QD-carbon nanotube (CNT) and QD-VG-CNT structures, TiO{sub 2}-CdS NPs, and reduced graphene oxide (RGO)-SnO{sub 2} NPs. We further assembled CdSe NPs onto graphene sheets and investigated physical and electronic interactions between CdSe NPs and the graphene. Finally we have demonstrated various applications of these nanomaterials in solar cells (both as photoanodes and counter electrodes), gas sensors, and energy storage devices. This research is potentially transformative since the availability of affordable hybrid nanostructures and their fundamental properties will enable various innovative applications of the multifunctional hybrid nanostructures and thus will accelerate new discoveries and inventions in nanoscience and nanotechnology.

  5. Comparative hazard analysis and toxicological modeling of diverse nanomaterials using the embryonic zebrafish (EZ) metric of toxicity

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

    Harper, Bryan; Thomas, Dennis G.; Chikkagoudar, Satish; Baker, Nathan A.; Tang, Kaizhi; Heredia-Langner, Alejandro; Lins, Roberto D.; Harper, Stacey

    2015-06-04

    The integration of rapid assays, large data sets, informatics and modeling can overcome current barriers in understanding nanomaterial structure-toxicity relationships by providing a weight-of-the-evidence mechanism to generate hazard rankings for nanomaterials. Here we present the use of a rapid, low-cost assay to perform screening-level toxicity evaluations of nanomaterials in vivo. Calculated EZ Metric scores, a combined measure of morbidity and mortality, were established at realistic exposure levels and used to develop a predictive model of nanomaterial toxicity. Hazard ranking and clustering analysis of 68 diverse nanomaterials revealed distinct patterns of toxicity related to both core composition and outermost surface chemistrymore » of nanomaterials. The resulting clusters guided the development of a predictive model of gold nanoparticle toxicity to embryonic zebrafish. In addition, our findings suggest that risk assessments based on the size and core composition of nanomaterials alone may be wholly inappropriate, especially when considering complex engineered nanomaterials. These findings reveal the need to expeditiously increase the availability of quantitative measures of nanomaterial hazard and broaden the sharing of that data and knowledge to support predictive modeling. In addition, research should continue to focus on methodologies for developing predictive models of nanomaterial hazard based on sub-lethal responses to low dose exposures.« less

  6. Comparative hazard analysis and toxicological modeling of diverse nanomaterials using the embryonic zebrafish (EZ) metric of toxicity

    SciTech Connect (OSTI)

    Harper, Bryan; Thomas, Dennis G.; Chikkagoudar, Satish; Baker, Nathan A.; Tang, Kaizhi; Heredia-Langner, Alejandro; Lins, Roberto D.; Harper, Stacey

    2015-06-04

    The integration of rapid assays, large data sets, informatics and modeling can overcome current barriers in understanding nanomaterial structure-toxicity relationships by providing a weight-of-the-evidence mechanism to generate hazard rankings for nanomaterials. Here we present the use of a rapid, low-cost assay to perform screening-level toxicity evaluations of nanomaterials in vivo. Calculated EZ Metric scores, a combined measure of morbidity and mortality, were established at realistic exposure levels and used to develop a predictive model of nanomaterial toxicity. Hazard ranking and clustering analysis of 68 diverse nanomaterials revealed distinct patterns of toxicity related to both core composition and outermost surface chemistry of nanomaterials. The resulting clusters guided the development of a predictive model of gold nanoparticle toxicity to embryonic zebrafish. In addition, our findings suggest that risk assessments based on the size and core composition of nanomaterials alone may be wholly inappropriate, especially when considering complex engineered nanomaterials. These findings reveal the need to expeditiously increase the availability of quantitative measures of nanomaterial hazard and broaden the sharing of that data and knowledge to support predictive modeling. In addition, research should continue to focus on methodologies for developing predictive models of nanomaterial hazard based on sub-lethal responses to low dose exposures.

  7. Macro-ions collapse leading to hybrid bio-nanomaterials.

    SciTech Connect (OSTI)

    Achyuthan, Komandoor E.

    2009-10-01

    I used supramolecular self-assembling cyanine and the polyamine spermine binding to Escherichia coli genomic DNA as a model for DNA collapse during high throughput screening. Polyamine binding to DNA converts the normally right handed B-DNA into left handed Z-DNA conformation. Polyamine binding to DNA was inhibited by the supramolecular self-assembling cyanine. Self-assembly of cyanine upon DNA scaffold was likewise competitively inhibited by spermine as signaled by fluorescence quench from DNA-cyanine ensemble. Sequence of DNA exposure to cyanine or spermine was critical in determining the magnitude of fluorescence quench. Methanol potentiated spermine inhibition by >10-fold. The IC{sub 50} for spermine inhibition was 0.35 {+-} 0.03 {micro}M and the association constant Ka was 2.86 x 10{sup -6}M. Reversibility of the DNA-polyamine interactions was evident from quench mitigation at higher concentrations of cyanine. System flexibility was demonstrated by similar spermine interactions with {lambda}DNA. The choices and rationale regarding the polyamine, the cyanine dye as well as the remarkable effects of methanol are discussed in detail. Cyanine might be a safer alternative to the mutagenic toxin ethidium bromide for investigating DNA-drug interactions. The combined actions of polyamines and alcohols mediate DNA collapse producing hybrid bio-nanomaterials with novel signaling properties that might be useful in biosensor applications. Finally, this work will be submitted to Analytical Sciences (Japan) for publication. This journal published our earlier, related work on cyanine supramolecular self-assembly upon a variety of nucleic acid scaffolds.

  8. Can Ionic Liquids Be Used As Templating Agents For Controlled Design of Uranium-Containing Nanomaterials?

    SciTech Connect (OSTI)

    Visser, A.; Bridges, N.; Tosten, M.

    2013-04-09

    Nanostructured uranium oxides have been prepared in ionic liquids as templating agents. Using the ionic liquids as reaction media for inorganic nanomaterials takes advantage of the pre-organized structure of the ionic liquids which in turn controls the morphology of the inorganic nanomaterials. Variation of ionic liquid cation structure was investigated to determine the impact on the uranium oxide morphologies. For two ionic liquid cations, increasing the alkyl chain length increases the aspect ratio of the resulting nanostructured oxides. Understanding the resulting metal oxide morphologies could enhance fuel stability and design.

  9. Mesoporous Silica Nanomaterials for Applications in Catalysis, Sensing, Drug Delivery and Gene Transfection

    SciTech Connect (OSTI)

    Daniela Rodica Radu

    2005-12-19

    The central theme of this dissertation is represented by the versatility of mesoporous silica nanomaterials in various applications such as catalysis and bio-applications, with main focus on biological applications of Mesoporous Silica Nanospheres (MSN). The metamorphosis that we impose to these materials from catalysis to sensing and to drug and gene delivery is detailed in this dissertation. First, we developed a synthetic method that can fine tune the amount of chemically accessible organic functional groups on the pores surface of MSN by exploiting electrostatic and size matching between the cationic alkylammonium head group of the cetyltrimethylammonium bromide (CTAB) surfactant and various anionic organoalkoxysilane precursors at the micelle-water interface in a base-catalyzed condensation reaction of silicate. Aiming nature imitation, we demonstrated the catalytic abilities of the MSNs, We utilized an ethylenediamine functional group for chelating Cu{sup 2+} as a catalytic functional group anchored inside the mesopores. Thus, a polyalkynylene-based conducting polymer (molecular wire) was synthesized within the Cu-functionalized MSNs silica catalyst. For sensing applications, we have synthesized a poly(lactic acid) coated mesoporous silica nanosphere (PLA-MSN) material that serves as a fluorescence sensor system for detection of amino-containing neurotransmitters in neutral aqueous buffer. We exploited the mesoporosity of MSNs for encapsulating pharmaceutical drugs. We examined bio-friendly capping molecules such as polyamidoamine dendrimers of generations G2 to G4, to prevent the drug leaching. Next, the drug delivery system employed MSNs loaded with Doxorubicin, an anticancer drug. The results demonstrated that these nano-Trojan horses have ability to deliver Doxorubicin to cancer cells and induce their death. Finally, to demonstrate the potential of MSN as an universal cellular transmembrane nanovehicle, we anchored positively charged dendrimers on the surface of MSN and utilize them to complex cationic DNA. The p-EGFP-CI gene-coated MSN nanocomposite was able to transfect cancer cell lines, such as human HeLa and CHO cancer cell lines. The gene carrier ability of MSNs was further proved by transfecting primary cells and cotransfecting of two different genes in cancer cell lines. In sum, MSN are versatile partners in several types of applications.

  10. Anisotropic Hexagonal Boron Nitride Nanomaterials - Synthesis and Applications

    SciTech Connect (OSTI)

    Han,W.Q.

    2008-08-01

    Boron nitride (BN) is a synthetic binary compound located between III and V group elements in the Periodic Table. However, its properties, in terms of polymorphism and mechanical characteristics, are rather close to those of carbon compared with other III-V compounds, such as gallium nitride. BN crystallizes into a layered or a tetrahedrally linked structure, like those of graphite and diamond, respectively, depending on the conditions of its preparation, especially the pressure applied. Such correspondence between BN and carbon readily can be understood from their isoelectronic structures [1, 2]. On the other hand, in contrast to graphite, layered BN is transparent and is an insulator. This material has attracted great interest because, similar to carbon, it exists in various polymorphic forms exhibiting very different properties; however, these forms do not correspond strictly to those of carbon. Crystallographically, BN is classified into four polymorphic forms: Hexagonal BN (h-BN) (Figure 1(b)); rhombohedral BN (r-BN); cubic BN (c-BN); and wurtzite BN (w-BN). BN does not occur in nature. In 1842, Balmain [3] obtained BN as a reaction product between molten boric oxide and potassium cyanide under atmospheric pressure. Thereafter, many methods for its synthesis were reported. h-BN and r-BN are formed under ambient pressure. c-BN is synthesized from h-BN under high pressure at high temperature while w-BN is prepared from h-BN under high pressure at room temperature [1]. Each BN layer consists of stacks of hexagonal plate-like units of boron and nitrogen atoms linked by SP{sup 2} hybridized orbits and held together mainly by Van der Waals force (Fig 1(b)). The hexagonal polymorph has two-layered repeating units: AA'AA'... that differ from those in graphite: ABAB... (Figure 1(a)). Within the layers of h-BN there is coincidence between the same phases of the hexagons, although the boron atoms and nitrogen atoms are alternatively located along the c-axis. The rhombohedral system consists of three-layered units: ABCABC..., whose honeycomb layers are arranged in a shifted phase, like as those of graphite. Reflecting its weak interlayer bond, the h-BN can be cleaved easily along its layers, and hence, is widely used as a lubricant material. The material is stable up to a high temperature of 2300 C before decomposition sets in [2] does not fuse a nitrogen atmosphere of 1 atm, and thus, is applicable as a refractory material. Besides having such properties, similar to those of graphite, the material is transparent, and acts as a good electric insulator, especially at high temperatures (10{sup 6} {Omega}m at 1000 C) [1]. c-BN and w-BN are tetrahedrally linked BN. The former has a cubic sphalerite-type structure, and the latter has a hexagonal wurtzite-type structure. c-BN is the second hardest known material (the hardest is diamond), the so-called white diamond. It is used mainly for grinding and cutting industrial ferrous materials because it does not react with molten iron, nickel, and related alloys at high temperatures whereas diamond does [1]. It displays the second highest thermal conductivity (6-9 W/cm.deg) after diamond. This chapter focuses principally upon information about h-BN nanomaterials, mainly BN nanotubes (BNNTs), porous BN, mono- and few-layer-BN sheets. There are good reviews book chapters about c-BN in [1, 4-6].

  11. Peptoid Nanosheets Offer a Diversity of Functionalities

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

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

  12. Microsoft Word - Summary_PBS-56-CFN-TBS-Conection_Pipes.docx

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

    floors, walls and ceilings - Perform the relevant analyses (ex. fire analysis and seismic analysis) related to the credit of safety given to the pipings that are Hard Core...

  13. Nanomaterials for Polymer Electrolyte Membrane Fuel Cells; Materials Challenges Facing Electrical Energy Storate

    SciTech Connect (OSTI)

    Gopal Rao, MRS Web-Editor; Yury Gogotsi, Drexel University; Karen Swider-Lyons, Naval Research Laboratory

    2010-08-05

    Symposium T: Nanomaterials for Polymer Electrolyte Membrane Fuel Cells Polymer electrolyte membrane (PEM) fuel cells are under intense investigation worldwide for applications ranging from transportation to portable power. The purpose of this seminar is to focus on the nanomaterials and nanostructures inherent to polymer fuel cells. Symposium topics will range from high-activity cathode and anode catalysts, to theory and new analytical methods. Symposium U: Materials Challenges Facing Electrical Energy Storage Electricity, which can be generated in a variety of ways, offers a great potential for meeting future energy demands as a clean and efficient energy source. However, the use of electricity generated from renewable sources, such as wind or sunlight, requires efficient electrical energy storage. This symposium will cover the latest material developments for batteries, advanced capacitors, and related technologies, with a focus on new or emerging materials science challenges.

  14. Final Report: Nanomaterials in Secondary Battery Research and Development, July 1, 1995 - September 14, 1999

    SciTech Connect (OSTI)

    Martin, Charles R.

    2000-01-31

    We have been exploring the rate capabilities of nanostructured Li-ion battery electrodes. These nanostructured electrodes are prepared via the template method - a general procedure used to prepare nanomaterials pioneered in the P.I.'s laboratory. The nanostructured electrodes consist of nanofibers or tubules of the electrode material that protrude from a current-collector surface like the bristles of a brush. These nanostructured electrodes show dramatically improved rate capabilities relative to conventional electrode designs.

  15. In situ XAS Characterization of Catalytic Nano-Materials with Applications

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

    to Fuel Cells and Batteries | Stanford Synchrotron Radiation Lightsource XAS Characterization of Catalytic Nano-Materials with Applications to Fuel Cells and Batteries Friday, July 12, 2013 - 11:00am SLAC, Conference Room 137-322 Presented by Qingying Jia, Dept. of Chemistry and Chemical Biology, Northeastern University, Boston, MA The development of novel electrode materials is hindered by the lack of fundamental understanding of the precise structural effects on the catalytic activity and

  16. Sustainable Nano-Materials: What is happening at the cellular level?

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

    Nano-Materials What is happening at the cellular level? Art J. Ragauskas, Institute of Paper Science and Technology Georgia Institute of Technology Advanced Materials: Cellular Level Chemicals Enzymes Mechanical 1 cm 10 m 1 m 10 nm 100 m mm nm Micro Fibrillated Cellulose NanoCellulose Balls Cellulose Whiskers Composite Whisker Films Water Based polymer + Whiskers>> Easy Dispersions Matrix = hydrosoluble polymers Water evaporation nanocomposite film Poly(oxyethylene) Xylans; Hemis

  17. Peptoid Nanosheets Offer a Diversity of Functionalities

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

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

  18. Peptoid Nanosheets Offer a Diversity of Functionalities

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

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

  19. Peptoid Nanosheets Offer a Diversity of Functionalities

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

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

  20. Peptoid Nanosheets Offer a Diversity of Functionalities

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

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

  1. Peptoid Nanosheets Offer a Diversity of Functionalities

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

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

  2. Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy

    SciTech Connect (OSTI)

    King, Neil P.; Sheffler, William; Sawaya, Michael R.; Vollmar, Breanna S.; Sumida, John P.; André, Ingemar; Gonen, Tamir; Yeates, Todd O.; Baker, David

    2015-09-17

    We describe a general computational method for designing proteins that self-assemble to a desired symmetric architecture. Protein building blocks are docked together symmetrically to identify complementary packing arrangements, and low-energy protein-protein interfaces are then designed between the building blocks in order to drive self-assembly. We used trimeric protein building blocks to design a 24-subunit, 13-nm diameter complex with octahedral symmetry and a 12-subunit, 11-nm diameter complex with tetrahedral symmetry. The designed proteins assembled to the desired oligomeric states in solution, and the crystal structures of the complexes revealed that the resulting materials closely match the design models. The method can be used to design a wide variety of self-assembling protein nanomaterials.

  3. Terahertz Spectroscopy of Low-Dimensional Nanomaterials: Nonlinear Emission and Ultrafast Electrodynamics

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

    Luo, Liang; Wang, Jigang

    2016-01-01

    Nonlinear and non-equilibrium properties of low-dimensional quantum materials are fundamental in nanoscale science yet transformative in nonlinear imaging/photonic technology today. These have been poorly addressed in many nano-materials despite of their well-established equilibrium optical and transport properties. The development of ultrafast terahertz (THz) sources and nonlinear spectroscopy tools facilitates understanding these issues and reveals a wide range of novel nonlinear and quantum phenomena that are not expected in bulk solids or atoms. In this paper, we discuss our recent discoveries in two model photonic and electronic nanostructures to solve two outstanding questions: (1) how to create nonlinear broadband terahertz emittersmore » using deeply subwavelength nanoscale meta-atom resonators? (2) How to access one-dimensional (1D) dark excitons and their non-equilibrium correlated states in single-walled carbon nanotubes (SWMTs)?« less

  4. Dynamics of soft Nanomaterials captured by transmission electron microscopy in liquid water

    SciTech Connect (OSTI)

    Proetto, Maria T.; Rush, Anthony M.; Chien, Miao-Ping; Abellan Baeza, Patricia; Patterson, Joseph P.; Thompson, Matthew P.; Olson, Norman H.; Moore, Curtis E.; Rheingold, Arnold L.; Andolina, Christopher; Millstone, Jill; Howell, Stephen B.; Browning, Nigel D.; Evans, James E.; Gianneschi, Nathan C.

    2014-01-14

    In this paper we present in situ transmission electron microscopy (TEM) of soft, synthetic nanoparticles with a comparative analysis using conventional TEM methods. This comparison is made with the simple aim of describing what is an unprecedented example of in situ imaging by TEM. However, we contend the technique will quickly become essential in the characterization of analogous systems, especially where dynamics are of interest in the solvated state. In this case, particles were studied which were obtained from the direct polymerization of an oxaliplatin analog, designed for an ongoing program in novel chemotherapeutic delivery systems. The resulting nanoparticles provided sufficient contrast for facile imaging in situ, and point toward key design parameters that enable this new characterization approach for organic nanomaterials. We describe the preparation of the synthetic micellar nanoparticles to- gether with their characterization in liquid water.

  5. Synthesis, characterization and photocatalytic properties of novel zinc germanate nano-materials

    SciTech Connect (OSTI)

    Boppana, Venkata Bharat Ram; Hould, Nathan D.; Lobo, Raul F.

    2011-05-15

    We report the first instance of a hydrothermal synthesis of zinc germanate (Zn{sub 2}GeO{sub 4}) nano-materials having a variety of morphologies and photochemical properties in surfactant, template and catalyst-free conditions. A systematic variation of synthesis conditions and detailed characterization using X-ray diffraction, ultraviolet-visible diffuse reflectance spectroscopy, Raman spectroscopy, electron microscopy, X-ray photoelectron spectroscopy and small angle X-ray scattering led to a better understanding of the growth of these particles from solution. At 140 {sup o}C, the zinc germanate particle morphology changes with pH from flower-shaped at pH 6.0, to poly-disperse nano-rods at pH 10 when the Zn to Ge ratio in the synthesis solution is 2. When the Zn to Ge ratio is reduced to 1.25, mono-disperse nano-rods could be prepared at pH 7.5. Nanorod formation is also independent of the addition of cetyltrimethylammonium bromide (CTAB), in contrast to previous reports. Photocatalytic tests show that Zn{sub 2}GeO{sub 4} nano-rods (by weight) and flower shaped (by surface area) are the most active for methylene blue dye degradation among the synthesized zinc germanate materials. -- Graphical abstract: Zinc germanate materials were synthesized possessing unique morphologies dependent on the hydrothermal synthesis conditions in the absence of surfactant, catalyst or template. These novel materials are characterized and evaluated for their photocatalytic activities. Display Omitted highlights: > Zinc germanate synthesized hydrothermally (surfactant free) with unique morphologies. > Flower-shaped, nano-rods, globular particles obtained dependent on synthesis pH. > At 140 {sup o}C, they possess the rhombohedral crystal irrespective of synthesis conditions. > They are photocatalytically active for the degradation of methylene blue. > Potential applications could be photocatalytic water splitting and CO{sub 2} reduction.

  6. Modular Hybrid Plasma Reactor for Low Cost Bulk Production of Nanomaterials

    SciTech Connect (OSTI)

    Peter C. Kong

    2011-12-01

    INL developed a bench scale modular hybrid plasma system for gas phase nanomaterials synthesis. The system was being optimized for WO3 nanoparticles production and scale model projection to a 300 kW pilot system. During the course of technology development many modifications had been done to the system to resolve technical issues that had surfaced and also to improve the performance. All project tasks had been completed except 2 optimization subtasks. These 2 subtasks, a 4-hour and an 8-hour continuous powder production runs at 1 lb/hr powder feeding rate, were unable to complete due to technical issues developed with the reactor system. The 4-hour run had been attempted twice and both times the run was terminated prematurely. The modular electrode for the plasma system was significantly redesigned to address the technical issues. Fabrication of the redesigned modular electrodes and additional components had been completed at the end of the project life. However, not enough resource was available to perform tests to evaluate the performance of the new modifications. More development work would be needed to resolve these problems prior to scaling. The technology demonstrated a surprising capability of synthesizing a single phase of meta-stable delta-Al2O3 from pure alpha-phase large Al2O3 powder. The formation of delta-Al2O3 was surprising because this phase is meta-stable and only formed between 973-1073 K, and delta-Al2O3 is very difficult to synthesize as a single phase. Besides the specific temperature window to form this phase, this meta-stable phase may have been stabilized by nanoparticle size formed in a high temperature plasma process. This technology may possess the capability to produce unusual meta-stable nanophase materials that would be otherwise difficult to produce by conventional methods. A 300 kW INL modular hybrid plasma pilot scale model reactor had been projected using the experimental data from PPG Industries 300 kW hot wall plasma reactor. The projected size of the INL 300 kW pilot model reactor would be about 15% that of the PPG 300 kW hot wall plasma reactor. Including the safety net factor the projected INL pilot reactor size would be 25-30% of the PPG 300 kW hot wall plasma pilot reactor. Due to the modularity of the INL plasma reactor and the energy cascading effect from the upstream plasma to the downstream plasma the energy utilization is more efficient in material processing. It is envisioning that the material through put range for the INL pilot reactor would be comparable to the PPG 300 kW pilot reactor but the energy consumption would be lower. The INL hybrid plasma technology is rather close to being optimized for scaling to a pilot system. More near term development work is still needed to complete the process optimization before pilot scaling.

  7. Scientific Evaluation of Nanomaterials of TiO{sub 2} and Related Derivatives in a Variety of Applications

    SciTech Connect (OSTI)

    Spitler, Timothy M; Stewart, Matthew; Pasquier, Aurelien Du; Coleman, Michael; Gunasinghe, Thushara; Manev, Veselin; Stucky, Galen; Holden, Patricia; Neal, Andrea; Suh, Won Hyuk

    2008-09-30

    Altair Nanotechnolgies, Inc. (Altair) has performed and hereby reports on research and development of novel nanomaterials for applications in 1) advanced power storage devices, 2) sensors for chemical, biological and radiological agents and on an 3) investigation into mechanisms of living cell-nanoparticle interactions that will allow predictions of health and safety issues and potentially result in novel agents for remediation of chemical and biological hazards. The project was organized around four distinct objectives. Two of the objectives are focused on developments designed to dramatically improve the performance of rechargeable Li-Ion batteries. These efforts are based on extensions of Altair's proprietary TiO{sub 2} nanoparticles and nanoparticle aggregates in the form of lithium titanate spinel, lithium manganates and lithium cobaltates. A third objective leverages the core Altair nanomaterials technology to develop a unique (nanosensor) platform for the error-free, "lab on a chip" detection of chemical, biological and radiological agents for hazardous materials remediation and threat detection. The innovative approach taken by the Altair/Western Michigan team develops individual nanosensor elements built upon a construct that includes a target-specific receptor molecule coupled through a signal transducing nanomolecule to a gold, TiO{sub 2} or SiO{sub 2} nanoparticle coated with a high density of strongfluorescing molecules for signal amplification The final objective focuses on interaction mechanisms between cells and nanoparticles with the goal of understanding how specific chemical and physical properties of these nanoparticles influence that interaction. The effort will examine a range of microbes that have environmental or societal importance.

  8. Peptoid Nanosheets Offer a Diversity of Functionalities

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

    up, through the self-assembly of small molecule, protein, or polymer building blocks. Polymer-based two-dimensional nanomaterials, in particular, hold promise as templates for...

  9. Peptoid Nanosheets Offer a Diversity of Functionalities

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

    as in molecular sensors, artificial membranes, and as catalysts. Recent advances in the design, synthesis, and characterization of two-dimensional nanomaterials with atomic...

  10. Calibration and data collection protocols for reliable lattice parameter values in electron pair distribution function (ePDF) studies

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

    Abeykoon, A. M. Milinda; Hu, Hefei; Wu, Lijun; Zhu, Yimei; Billinge, Simon J. L.

    2015-02-01

    We explore and describe different protocols for calibrating electron pair distribution function (ePDF) measurements for quantitative studies on nano-materials. We find the most accurate approach to determine the camera-length is to use a standard calibration sample of Au nanoparticles from National Institute of Standards and Technology. Different protocols for data collection are also explored, as are possible operational errors, to find the best approaches for accurate data collection for quantitative ePDF studies.

  11. Interlaboratory Evaluation of in Vitro Cytotoxicity and Inflammatory Responses to Engineered Nanomaterials: The NIEHS Nano GO Consortium

    SciTech Connect (OSTI)

    Xia, Tian; Hamilton, Raymond F.; Bonner, James C.; Crandall, Edward D.; Elder, Alison C.; Fazlollahi, Farnoosh; Girtsman, Teri A.; Mitra, Somenath; Ntim, Susana A.; Orr, Galya; Tagmount, Mani; Taylor, Alexia J.; Telesca, Donatello; Tolic, Ana; Vulpe, Chris D.; Walker, Andrea J.; Wang, Xiang; Witzmann, Frank A.; Wu, Nianqiang; Xie, Yumei; Zink, Jeffery I.; Nel, Andre; Holian, Andrij

    2013-06-01

    Background: Differences in interlaboratory research protocols contribute to the conflicting data in the literature regarding engineered nanomaterial (ENM) bioactivity. Objectives: Grantees of a National Institute of Health Sciences (NIEHS)-funded consortium program performed two phases of in vitro testing with selected ENMs in an effort to identify and minimize sources of variability. Methods: Consortium program participants (CPPs) conducted ENM bioactivity evaluations on zinc oxide (ZnO), three forms of titanium dioxide (TiO2), and three forms of multiwalled carbon nanotubes (MWCNTs). In addition, CPPs performed bioassays using three mammalian cell lines (BEAS-2B, RLE-6TN, and THP-1) selected in order to cover two different species (rat and human), two different lung epithelial cells (alveolar type II and bronchial epithelial cells), and two different cell types (epithelial cells and macrophages). CPPs also measured cytotoxicity in all cell types while measuring inflammasome activation [interleukin-1? (IL-1?) release] using only THP-1 cells. Results: The overall in vitro toxicity profiles of ENM were as follows: ZnO was cytotoxic to all cell types at ? 50 ? g/mL, but did not induce IL-1?. TiO2 was not cytotoxic except for the nanobelt form, which was cytotoxic and induced significant IL-1? production in THP-1 cells. MWCNTs did not produce cytotoxicity, but stimulated lower levels of IL-1? production in THP-1 cells, with the original MWCNT producing the most IL-1?. Conclusions: The results provide justification for the inclusion of mechanism-linked bioactivity assays along with traditional cytotoxicity assays for in vitro screening. In addition, the results suggest that conducting studies with multiple relevant cell types to avoid false-negative outcomes is critical for accurate evaluation of ENM bioactivity.

  12. Bioremediation of nanomaterials

    DOE Patents [OSTI]

    Chen, Frank Fanqing; Keasling, Jay D; Tang, Yinjie J

    2013-05-14

    The present invention provides a method comprising the use of microorganisms for nanotoxicity study and bioremediation. In some embodiment, the microorganisms are bacterial organisms such as Gram negative bacteria, which are used as model organisms to study the nanotoxicity of the fullerene compounds: E. coli W3110, a human related enterobacterium and Shewanella oneidensis MR-1, an environmentally important bacterium with versatile metabolism.

  13. Method for making nanomaterials

    DOE Patents [OSTI]

    Fan, Hongyou; Wu, Huimeng

    2013-06-04

    A method of making a nanostructure by preparing a face centered cubic-ordered metal nanoparticle film from metal nanoparticles, such as gold and silver nanoparticles, exerting a hydrostatic pressure upon the film at pressures of several gigapascals, followed by applying a non-hydrostatic stress perpendicularly at a pressure greater than approximately 10 GPA to form an array of nanowires with individual nanowires having a relatively uniform length, average diameter and density.

  14. Metrology for Sustainable Nanomaterials

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

    paper and presentation in 2008 employing SEM, HIM and AFM National Institute of ... Instrument Calibration: Interlaboratory SEM Study * Over 60 instruments studied * ...

  15. Center for Nanophase Materials Sciences (CNMS) - Functional Hybrid...

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

    transport growth from mixed evaporated powders. Time-resolved reflectivity (TRR) of nanomaterial growth kinetics by CVD For aligned nanotube arrays, utilizes stabilized HeNe laser...

  16. Elementary Functions

    Energy Science and Technology Software Center (OSTI)

    1986-05-01

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

  17. Function Sequencer

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

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

  18. Extracting the Eliashberg Function

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

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

  19. Transportation Organization and Functions

    Broader source: Energy.gov [DOE]

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

  20. Functionalized boron nitride nanotubes

    DOE Patents [OSTI]

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

    2014-04-22

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

  1. Portable Special Function Routines

    Energy Science and Technology Software Center (OSTI)

    1992-02-27

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

  2. NSLS 2007 Activity Report (National Synchrotron Light Source Activity Report 2007)

    SciTech Connect (OSTI)

    Miller ,L.; Nasta, K.

    2008-05-01

    The National Synchrotron Light Source is one of the world's most productive and cost-effective user facilities. With 2,219 individual users, about 100 more than last year, and a record-high 985 publications, 2007 was no exception. In addition to producing an impressive array of science highlights, which are included in this Activity Report, many NSLS users were honored this year for their scientific accomplishments. Throughout the year, there were major strides in the development of the scientific programs by strengthening strategic partnerships with major research resources and with the Center for Functional Nanomaterials (CFN). Of particular note, the Consortium for Materials Properties Research in Earth Sciences (COMPRES) received renewed funding for the next five years through the National Science Foundation. COMPRES operates four high-pressure NSLS beamlines--X17B2, X17B3, X17C, and U2A--and serves the earth science community as well as the rapidly expanding segment of researchers using high-pressure techniques in materials, chemical, and energy-related sciences. A joint appointment was made between the NSLS and Stony Brook University to further enhance interactions with COMPRES. There was major progress on two key beamline projects outlined in the Five-Year Strategic Plan: the X25 beamline upgrade and the construction of the X9 small angle scattering (SAXS) beamline. The X25 overhaul, which began with the installation of the in-vacuum mini-gap undulator (MGU) in January 2006, is now complete. X25 is once again the brightest beamline for macromolecular crystallography at the NSLS, and in tandem with the X29 undulator beamline, it will keep the NSLS at the cutting edge in this important area of research. Upgrade work associated with the new MGU and the front end for the X9 SAXS beamline--jointly developed by the NSLS and the CFN--also was completed. Beamline X9 will host the SAXS program that currently exists at beamline X21 and will provide new microbeam SAXS capabilities and much-needed beam time for the life sciences, soft condensed matter physics, and nanoscience communities. Looking toward the future, a significant step has been made in expanding the user base and diversifying the work force by holding the first Historically Black Colleges and Universities (HBCU) Professors' Workshop. The workshop, which brought 11 professors to the NSLS to learn how to become successful synchrotron users, concluded with the formation of an HBCU User Consortium. Finally, significant contributions were made in optics and detector development to enhance the utilization of the NSLS and address the challenges of NSLS-II. In particular, x-ray detectors developed by the NSLS Detector Section have been adopted by an increasing number of research programs both at the NSLS and at light sources around the world, speeding up measurement times by orders of magnitude and making completely new experiments feasible. Significant advances in focusing and high-energy resolution optics have also been made this year.

  3. NSLS 2006 ACTIVITY REPORT (NATIONAL SYNCHROTRON LIGHT SOURCE ACTIVITY REPORT 2006)

    SciTech Connect (OSTI)

    MILLER, L.

    2006-12-31

    This past year has seen both challenges and fantastic new opportunities for the user community at the NSLS. The fantastic new opportunities are clear and abundant. We now have a five-year strategic plan for new development and continued operation of the NSLS. The NSLS continues to be an extremely productive facility, and the UEC is delighted at how NSLS Chair Chi-Chang Kao has consulted widely within the user community to develop a five-year plan for strategic upgrades and continued operation of the facility. The NSLS-II project, led by Associate Lab Director Steve Dierker, has done very well in its Department of Energy (DOE) reviews and will hopefully soon receive Critical Decision-1 (CD-1) approval, which in DOE lingo gives a go-ahead to launch the detailed design of the facility. We also held the first joint user meeting between the NSLS and Brookhaven's Center for Functional Nanomaterials (CFN), for which the building is near completion. The joint user meeting is an important step toward the close collaboration of the two facilities. The CFN, led by Emilio Mendez, promises to provide capabilities and research foci that are complementary to those at the NSLS. Together, all of these developments give a clear path to an exciting future of synchrotron radiation research at Brookhaven! However, with opportunities come challenges! One of the largest of these faced in the past year involved congressional support for scientific research in general, and DOE user facilities in particular. As you likely know, Congress did not complete its usual budget process in 2006, with the exceptions of the departments of Defense and Homeland Security. This left science funding at the budget levels enacted in late 2005 for FY2006, and unfortunately, FY2006 was not a particularly memorable vintage for science support. The good news is that you, the user community, have spoken up with unprecedented vigor about this, and Congress appears to be listening. As we look at the FY2007 budget and the years to follow, we need to continue to educate our elected representatives about the benefits that are provided to our society and our economy by scientific investigation including research done at DOE user facilities like the NSLS. We face another interesting challenge as the NSLS-II project progresses: the formation of scientific research teams associated with particular beamlines at the new facility. In early 2007, the final draft of the conceptual design report will be available, which will describe the projected capabilities of NSLS-II, and we can expect a workshop in mid-2007 to launch the process leading to letters of intent for beamlines. This process will include lots of discussion about access modes, as we seek ways to allow scientific and technical innovators from the user community to play significant roles at NSLS-II.

  4. Functionalized expanded porphyrins

    DOE Patents [OSTI]

    Sessler, Jonathan L; Pantos, Patricia J

    2013-11-12

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

  5. Structure function monitor

    DOE Patents [OSTI]

    McGraw, John T. (Placitas, NM); Zimmer, Peter C. (Albuquerque, NM); Ackermann, Mark R. (Albuquerque, NM)

    2012-01-24

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

  6. Extracting the Eliashberg Function

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

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

  7. Adaptive multiconfigurational wave functions

    SciTech Connect (OSTI)

    Evangelista, Francesco A.

    2014-03-28

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

  8. Algal functional annotation tool

    Energy Science and Technology Software Center (OSTI)

    2012-07-12

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

  9. GADRAS Detector Response Function.

    SciTech Connect (OSTI)

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

    2014-11-01

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

  10. Process for functionalizing alkanes

    DOE Patents [OSTI]

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

    1988-05-24

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

  11. Process for functionalizing alkanes

    DOE Patents [OSTI]

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

    1984-06-12

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

  12. Organization and Functions

    Office of Environmental Management (EM)

    Working to Ensure the Safety and Security of Hazardous Material Shipments Organization and Functions Mission Unit EM-30 Deputy Assistant Secretary/ADAS Waste Management Director Office of Packaging and Transportation EM-33 Regulations & Standards Support * ANSI * ASME/ ASTM * DHS * DOD FEMA * FMCSA * FRA * IAEA * ICAO * IMO * NRC * Orders * PHMSA TSA * UN TDG SCOE Packaging Certification * CoCs for Type B/AF Packages * DOE Exemptions * DOT Special Permits & COCA * QA * RAMPAC * SCALE *

  13. Extracting the Eliashberg Function

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

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

  14. Extracting the Eliashberg Function

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

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

  15. Extracting the Eliashberg Function

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

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

  16. Extracting the Eliashberg Function

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

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

  17. Extracting the Eliashberg Function

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

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

  18. Functional Accountability | Department of Energy

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

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

  19. Advanced optical measurements for characterizing photophysical...

    Office of Scientific and Technical Information (OSTI)

    single molecule optical methods for improved control of nanomaterial functionalization. ... paths for future improvements for multiplex nanoparticle synthesis and characterization. ...

  20. Process for functionalizing alkanes

    DOE Patents [OSTI]

    Bergman, Robert G. (Kensington, CA); Janowicz, Andrew H. (Wilmington, DE); Periana-Pillai, Roy A. (Berkeley, CA)

    1985-01-01

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

  1. Process for functionalizing alkanes

    DOE Patents [OSTI]

    Bergman, Robert G. (Kensington, CA); Janowicz, Andrew H. (Wilmington, DE); Periana, Roy A. (Berkeley, CA)

    1988-01-01

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

  2. Nanomaterials Discovery Corporation NDC | Open Energy Information

    Open Energy Info (EERE)

    (NDC) Place: Laramie, Wyoming Zip: WY 82072 Sector: Carbon Product: NDC's nanotechnology development efforts are focused on fuel cell technologies, rechargeable battery...

  3. Nanomaterials by Design | The Ames Laboratory

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

    and properties in materials. The student will be synthesizing nanoparticles, learning and developing self-assembly strategies, and processing the materials by plasma...

  4. Nanomaterials for sodium-ion batteries

    DOE Patents [OSTI]

    Liu, Jun; Cao, Yuliang; Xiao, Lifen; Yang, Zhenguo; Wang, Wei; Choi, Daiwon; Nie, Zimin

    2015-05-05

    A crystalline nanowire and method of making a crystalline nanowire are disclosed. The method includes dissolving a first nitrate salt and a second nitrate salt in an acrylic acid aqueous solution. An initiator is added to the solution, which is then heated to form polyacrylatyes. The polyacrylates are dried and calcined. The nanowires show high reversible capacity, enhanced cycleability, and promising rate capability for a battery or capacitor.

  5. Composites comprising biologically-synthesized nanomaterials

    DOE Patents [OSTI]

    Curran, Seamus; Dias, Sampath; Blau, Werner; Wang, Jun; Oremland, Ronald S; Baesman, Shaun

    2013-04-30

    The present disclosure describes composite materials containing a polymer material and a nanoscale material dispersed in the polymer material. The nanoscale materials may be biologically synthesized, such as tellurium nanorods synthesized by Bacillus selenitireducens. Composite materials of the present disclosure may have optical limiting properties and find use in optical limiting devices.

  6. Sandia National Labs: PCNSC: Departments: Nanomaterials Sciences

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

    structures, including: diamond, tetrahedral-amorphous carbon, nanoporous carbon, and carbon nanotubes Fabrication of nano- and micro-scale devices and materials test structures...

  7. Carbon nanomaterials in silica aerogel matrices

    SciTech Connect (OSTI)

    Hamilton, Christopher E [Los Alamos National Laboratory; Chavez, Manuel E [Los Alamos National Laboratory; Duque, Juan G [Los Alamos National Laboratory; Gupta, Gautam [Los Alamos National Laboratory; Doorn, Stephen K [Los Alamos National Laboratory; Dattelbaum, Andrew M [Los Alamos National Laboratory; Obrey, Kimberly A D [Los Alamos National Laboratory

    2010-01-01

    Silica aerogels are ultra low-density, high surface area materials that are extremely good thermal insulators and have numerous technical applications. However, their mechanical properties are not ideal, as they are brittle and prone to shattering. Conversely, single-walled carbon nanotubes (SWCNTs) and graphene-based materials, such as graphene oxide, have extremely high tensile strength and possess novel electronic properties. By introducing SWCNTs or graphene-based materials into aerogel matrices, it is possible to produce composites with the desirable properties of both constituents. We have successfully dispersed SWCNTs and graphene-based materials into silica gels. Subsequent supercritical drying results in monolithic low-density composites having improved mechanical properties. These nanocomposite aerogels have great potential for use in a wide range of applications.

  8. Center for Nanophase Materials Sciences (CNMS) - Nanomaterials...

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

    THEORY INSTITUTE (NTI): THEORY, MODELING & SIMULATION CAPABILITIES NTI Computational Cluster The NTI maintains a 12 teraflop Beowulf cluster in support of the capacity-level...

  9. Facile fabrication and characterization of amino-functionalized Fe{sub 3}O{sub 4} cluster@SiO{sub 2} core/shell nanocomposite spheres

    SciTech Connect (OSTI)

    Kalantari, Mohammad; Kazemeini, Mohammad; Arpanaei, Ayyoob

    2013-06-01

    Highlights: ? A method developed for the preparation of Fe{sub 3}O{sub 4} clusters@SiO{sub 2} nanocomposites. ? This method permits production of core/shell nanomaterials with high yields. ? Resultant superparamagnetic particles are monodisperse with high magnetizations. - Abstract: We developed a modified straightforward method for the fabrication of uniformly sized silica-coated magnetite clusters core/shell type nanocomposite particles. Proposed simple one-step processing method permits quick production of materials in high yield. The structural, surface, and magnetic characteristics of the nanocomposite particles were investigated by transmission electron microscopy (TEM), scanning electron microscope (SEM), powder X-ray diffraction (XRD), vibrating sample magnetometer (VSM), and Fourier-transform infrared (FTIR). The sphere-shaped particles almost have the average diameter of 120 nm, with a magnetic cluster core of 80 ± 15 nm, and a silica shell of 25 ± 10 nm thickness. The particles are superparamagnetic and present strong magnetization (18 emu/g) due to the fact that they possess core of the magnetic clusters. Subsequently, the silica surface of core/shell particles was amino-functionalized via N-(2-aminoethyl)-3-aminopropyltrimethoxysilane (EDS). Findings of the present work highlight the potential for using amino-functionalized magnetic silica core/shell nanocomposite particles in biological applications since they possess useful magnetic properties and proper structure.

  10. Methods of making functionalized nanorods

    DOE Patents [OSTI]

    Gur, Ilan (San Francisco, CA); Milliron, Delia (Berkeley, CA); Alivisatos, A. Paul (Oakland, CA); Liu, Haitao (Berkeley, CA)

    2012-01-10

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

  11. Multi-functional composite structures

    DOE Patents [OSTI]

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

    2004-10-19

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

  12. Multi-functional composite structures

    DOE Patents [OSTI]

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

    2010-04-27

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

  13. Renormalization group functional equations (Journal Article)...

    Office of Scientific and Technical Information (OSTI)

    With minimal assumptions, the methods produce continuous flows from step-scaling sigma functions and lead to exact functional relations for the local flow beta functions, whose ...

  14. Functionalized magnetic nanoparticle analyte sensor

    DOE Patents [OSTI]

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

    2014-03-25

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

  15. Precision linear ramp function generator

    DOE Patents [OSTI]

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

    1984-08-01

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

  16. Automatic computation of transfer functions

    DOE Patents [OSTI]

    Atcitty, Stanley; Watson, Luke Dale

    2015-04-14

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

  17. Sandia Energy - Statistical Mechanics with Density Functional...

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

    Statistical Mechanics with Density Functional Theory Accuracy Home Highlights - HPC Statistical Mechanics with Density Functional Theory Accuracy Previous Next Statistical...

  18. Correlating size and composition-dependent effects with magnetic, Mössbauer, and pair distribution function measurements in a family of catalytically active ferrite nanoparticles

    SciTech Connect (OSTI)

    Wong, Stanislaus; Papaefthymiou, Georgia C.; Lewis, Crystal S.; Han, Jinkyu; Zhang, Cheng; Li, Qiang; Shi, Chenyang; Abeykoon, A. M.Milinda; Billinge, Simon J.L.; Stach, Eric; Thomas, Justin; Guerrero, Kevin; Munayco, Pablo; Munayco, Jimmy; Scorzelli, Rosa B.; Burnham, Philip; Viescas, Arthur J; Tiano, Amanda L.

    2015-05-06

    The magnetic spinel ferrites, MFe?O? (wherein 'M' = a divalent metal ion such as but not limited to Mn, Co, Zn, and Ni), represent a unique class of magnetic materials in which the rational introduction of different 'M's can yield correspondingly unique and interesting magnetic behaviors. Herein we present a generalized hydrothermal method for the synthesis of single-crystalline ferrite nanoparticles with 'M' = Mg, Fe, Co, Ni, Cu, and Zn, respectively, which can be systematically and efficaciously produced simply by changing the metal precursor. Our protocol can moreover lead to reproducible size control by judicious selection of various surfactants. As such, we have probed the effects of both (i) size and (ii) chemical composition upon the magnetic properties of these nanomaterials using complementary magnetometry and Mössbauer spectroscopy techniques. The structure of the samples was confirmed by atomic PDF analysis of X-ray and electron powder diffraction data as a function of particle size. These materials retain the bulk spinel structure to the smallest size (i.e., 3 nm). In addition, we have explored the catalytic potential of our ferrites as both (a) magnetically recoverable photocatalysts and (b) biological catalysts, and noted that many of our as-prepared ferrite systems evinced intrinsically higher activities as compared with their iron oxide analogues.

  19. Correlating size and composition-dependent effects with magnetic, Mössbauer, and pair distribution function measurements in a family of catalytically active ferrite nanoparticles

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

    Wong, Stanislaus; Papaefthymiou, Georgia C.; Lewis, Crystal S.; Han, Jinkyu; Zhang, Cheng; Li, Qiang; Shi, Chenyang; Abeykoon, A. M.Milinda; Billinge, Simon J.L.; Stach, Eric; et al

    2015-05-06

    The magnetic spinel ferrites, MFe₂O₄ (wherein 'M' = a divalent metal ion such as but not limited to Mn, Co, Zn, and Ni), represent a unique class of magnetic materials in which the rational introduction of different 'M's can yield correspondingly unique and interesting magnetic behaviors. Herein we present a generalized hydrothermal method for the synthesis of single-crystalline ferrite nanoparticles with 'M' = Mg, Fe, Co, Ni, Cu, and Zn, respectively, which can be systematically and efficaciously produced simply by changing the metal precursor. Our protocol can moreover lead to reproducible size control by judicious selection of various surfactants. Asmore » such, we have probed the effects of both (i) size and (ii) chemical composition upon the magnetic properties of these nanomaterials using complementary magnetometry and Mössbauer spectroscopy techniques. The structure of the samples was confirmed by atomic PDF analysis of X-ray and electron powder diffraction data as a function of particle size. These materials retain the bulk spinel structure to the smallest size (i.e., 3 nm). In addition, we have explored the catalytic potential of our ferrites as both (a) magnetically recoverable photocatalysts and (b) biological catalysts, and noted that many of our as-prepared ferrite systems evinced intrinsically higher activities as compared with their iron oxide analogues.« less

  20. High throughout reproducible cantilever functionalization

    DOE Patents [OSTI]

    Evans, Barbara R; Lee, Ida

    2014-11-25

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

  1. High throughput reproducible cantilever functionalization

    DOE Patents [OSTI]

    Evans, Barbara R; Lee, Ida

    2014-01-21

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

  2. Poly(ethylene oxide) functionalization

    DOE Patents [OSTI]

    Pratt, Russell Clayton

    2014-04-08

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

  3. Project X functional requirements specification

    SciTech Connect (OSTI)

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

    2012-05-01

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

  4. Phenomenological Relativistic Energy Density Functionals

    SciTech Connect (OSTI)

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

    2009-08-26

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

  5. Functional Insights from Structural Genomics

    SciTech Connect (OSTI)

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

    2007-01-01

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

  6. Physical unclonable functions: A primer

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

    Bauer, Todd; Hamlet, Jason

    2014-11-01

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

  7. Precision linear ramp function generator

    DOE Patents [OSTI]

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

    1986-01-01

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

  8. TRIDAC host computer functional specification

    SciTech Connect (OSTI)

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

    1983-08-23

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

  9. Semiclassical propagation of Wigner functions

    SciTech Connect (OSTI)

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

    2010-06-07

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  12. Building a Universal Nuclear Energy Density Functional

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

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

  13. Translocator Protein Structure and Function | Stanford Synchrotron...

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

    Translocator Protein Structure and Function Monday, November 30, 2015 Translocator protein (TSPO) is an ancient conserved protein whose functions in bacteria and higher eukaryotes...

  14. Power Function Review (pbl/rates)

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

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

  15. Functional Design Engineering Inc | Open Energy Information

    Open Energy Info (EERE)

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

  16. US Nuclear Regulatory Commission functional organization charts

    SciTech Connect (OSTI)

    Not Available

    1988-01-01

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

  17. US Nuclear Regulatory Commission functional organization charts

    SciTech Connect (OSTI)

    Not Available

    1986-11-30

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

  18. Functional nucleic acid probes and uses thereof

    DOE Patents [OSTI]

    Nilsen-Hamilton, Marit

    2006-10-03

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

  19. Brownian dynamics without Green's functions

    SciTech Connect (OSTI)

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

    2014-04-07

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

  20. Structures and Functions of Oligosaccharins

    SciTech Connect (OSTI)

    Albersheim, Peter

    1995-12-01

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

  1. Center for Nanophase Materials Sciences - Summer Newsletter 2010

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

    instruments, and foster interaction with users. I work with the Macromolecular Nanomaterial group within the Functional Polymer Architectures theme. My main duty in CNMS is...

  2. April 2013 CNMS User Newsletter

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

    our understanding of nanoscale phenomena and develop functional nanomaterials systems. Access is provided at no cost to users for research that is in the public do- main and...

  3. US Nuclear Regulatory Commission functional organization charts

    SciTech Connect (OSTI)

    Not Available

    1990-08-15

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

  4. US Nuclear Regulatory Commission functional organization charts

    SciTech Connect (OSTI)

    Not Available

    1990-04-01

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

  5. Property:Distributed Generation Function | Open Energy Information

    Open Energy Info (EERE)

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

  6. Center for Nanophase Materials Sciences (CNMS) - Functional hybrid

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

    Architectures Functional hybrid Architectures

  7. Grid Connected Functionalities | Department of Energy

    Office of Environmental Management (EM)

    Grid Connected Functionalities Grid Connected Functionalities Lead Performer: National Renewable Energy Laboratory (NREL) Objective The objective of Grid Connected Functionality is to develop planning and establish strategic directions, along with supporting framework documents vetted by public engagement with industry and other stakeholders, which support and inform future research, development and deployment of critical building-grid transactional frameworks. View the Presentation PDF icon

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

    DOE Patents [OSTI]

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

    2014-03-04

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

  9. Functionalized active-nucleus complex sensor

    DOE Patents [OSTI]

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

    2003-11-25

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

  10. Accurate evaluation of pionium wave functions

    SciTech Connect (OSTI)

    Suebka, P.; Yan, Y.

    2004-09-01

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

  11. CTA/CNS Functions | Department of Energy

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

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

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

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

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

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

  15. Critical function and success path summary display

    DOE Patents [OSTI]

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

    1995-01-01

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

    Guidance on Inherently Governmental Functions Federal law prohibits contractors from ... by one or more sources of Federal law, (3) notes the special considerations ...

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

    Office of Scientific and Technical Information (OSTI)

    Methods of electrophoretic deposition for functionally graded porous nanostructures and systems thereof Citation Details In-Document Search Title: Methods of electrophoretic...

  19. Building a Universal Nuclear Energy Density Functional

    SciTech Connect (OSTI)

    Bertulani, Carlos A.

    2014-09-10

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

    Sequential Linker Installation: Precise Placement of Functional Groups in Multivariate Metal-Organic Frameworks Citation Details In-Document Search Title: Sequential Linker ...

  2. "Covalent functionalization and electron-transfer properties...

    Office of Scientific and Technical Information (OSTI)

    "Covalent functionalization and electron-transfer properties of vertically aligned carbon nanofibers: The importance of edge-plane sites" Citation Details In-Document Search Title: ...

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

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

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

  4. Peptoid Nanosheets Offer a Diversity of Functionalities

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

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

  5. Confinement Ventilation and Process Gas Treatment Functional...

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

    . NOT MEASUREMENT SENSITIVE DOE-STD-1168-2013 October 2013 DOE STANDARD CONFINEMENT VENTILATION AND PROCESS GAS TREATMENT FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear ...

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

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

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

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

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

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

  8. Eta Structure Function via Photo-production

    SciTech Connect (OSTI)

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

    2008-04-21

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

  9. Year 2 Report: Protein Function Prediction Platform

    SciTech Connect (OSTI)

    Zhou, C E

    2012-04-27

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

  10. Quality Assurance Functional Area Qualification Standard

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

    2013-12-02

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

  11. Quality Assurance Functional Area Qualification Standard

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

    2002-04-22

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

  12. Emergency Support Function #12 … Energy Annex

    Office of Environmental Management (EM)

    Emergency Support Function #12 - Energy Annex ESF Coordinator: Department of Energy Primary Agency: Department of Energy Support Agencies: Department of Agriculture Department of Commerce Department of Defense Department of Homeland Security Department of the Interior Department of Labor Department of State Department of Transportation Environmental Protection Agency Nuclear Regulatory Commission Tennessee Valley Authority INTRODUCTION Purpose Emergency Support Function (ESF) #12 - Energy

  13. Oligomer functionalized nanotubes and composites formed therewith

    DOE Patents [OSTI]

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

    2014-03-18

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

  14. Low work function, stable thin films

    DOE Patents [OSTI]

    Dinh, Long N. (Concord, CA); McLean, II, William (Oakland, CA); Balooch, Mehdi (Berkeley, CA); Fehring, Jr., Edward J. (Dublin, CA); Schildbach, Marcus A. (Livermore, CA)

    2000-01-01

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

  15. Density functional theory for carbon dioxide crystal

    SciTech Connect (OSTI)

    Chang, Yiwen; Mi, Jianguo Zhong, Chongli

    2014-05-28

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

  16. Weak measurement and Bohmian conditional wave functions

    SciTech Connect (OSTI)

    Norsen, Travis; Struyve, Ward

    2014-11-15

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

  17. Nanomaterial Applications Range From Eyeliner to Turbines | GE...

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

    had come across this article sometime back that kajal, the eyeliner we use commonly in India, consists of Carbon-NanoTubes (CNT) Professor Sabyasachi Sarkar, at Indian Institute...

  18. Size selective absorption of DNA tetrahedra in ATO nanomaterials

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

    A group of Center for Bio-inspired Solar Fuel Production researchers collaborating on Subtask 2 ... nanocages was verified using a Frster Resonance Energy Transfer (FRET) test. ...

  19. High performance ultracapacitors with carbon nanomaterials and ionic liquids

    DOE Patents [OSTI]

    Lu, Wen; Henry, Kent Douglas

    2012-10-09

    The present invention is directed to the use of carbon nanotubes and/or electrolyte structures in various electrochemical devices, such as ultracapacitors having an ionic liquid electrolyte. The carbon nanotubes are preferably aligned carbon nanotubes. Compared to randomly entangled carbon nanotubes, aligned carbon nanotubes can have better defined pore structures and higher specific surface areas.

  20. In situ XAS Characterization of Catalytic Nano-Materials with...

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

    electronic and structural information of the electrode materials under actual in situ cell operating conditions. In this talk, we will present our work of using in situ XAS in...

  1. High performance batteries with carbon nanomaterials and ionic liquids

    DOE Patents [OSTI]

    Lu, Wen (Littleton, CO)

    2012-08-07

    The present invention is directed to lithium-ion batteries in general and more particularly to lithium-ion batteries based on aligned graphene ribbon anodes, V.sub.2O.sub.5 graphene ribbon composite cathodes, and ionic liquid electrolytes. The lithium-ion batteries have excellent performance metrics of cell voltages, energy densities, and power densities.

  2. Integrating Nanomaterial Applications in the Field of Sustainable...

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

    of molecularly thin cellulose 1 nanoparticles." ... food, and other life science industries. ... from lignocellulosic materials Highly ordered mesoporous ...

  3. Computational modeling of electrophotonics nanomaterials: Tunneling in double quantum dots

    SciTech Connect (OSTI)

    Vlahovic, Branislav Filikhin, Igor

    2014-10-06

    Single electron localization and tunneling in double quantum dots (DQD) and rings (DQR) and in particular the localized-delocalized states and their spectral distributions are considered in dependence on the geometry of the DQDs (DQRs). The effect of violation of symmetry of DQDs geometry on the tunneling is studied in details. The cases of regular and chaotic geometries are considered. It will be shown that a small violation of symmetry drastically affects localization of electron and that anti-crossing of the levels is the mechanism of tunneling between the localized and delocalized states in DQRs.

  4. Curvature effects on carbon nanomaterials: Exohedral versus endhohedral supercapacitors

    SciTech Connect (OSTI)

    Huang, J; Sumpter, B. G.; Meunier, V.; Yushin, G.; Portet, C.; Gogotsi, Y.

    2011-01-31

    Capacitive energy storage mechanisms in nanoporous carbon supercapacitors hinge on endohedral interactions in carbon materials with macro-, meso-, and micropores that have negative surface curvature. In this article, we show that because of the positive curvature found in zero-dimensional carbon onions or one-dimensional carbon nanotube arrays, exohedral interactions cause the normalized capacitance to increase with decreasing particle size or tube diameter, in sharp contrast to the behavior of nanoporous carbon materials. This finding is in good agreement with the trend of recent experimental data. Our analysis suggests that electrical energy storage can be improved by exploiting the highly curved surfaces of carbon nanotube arrays with diameters on the order of 1 nm.

  5. Curvature effects in carbon nanomaterials: Exohedral versus endohedral supercapacitors

    SciTech Connect (OSTI)

    Huang, Jingsong; Sumpter, Bobby G; Meunier, Vincent; Gogotsi, Yury G.; Yushin, Gleb; Portet, Cristelle

    2010-01-01

    Capacitive energy storage mechanisms in nanoporous carbon supercapacitors hinge on endohedral interactions in carbon materials with macro-, meso-, and micropores that have negative surface curvature. In this article, we show that because of the positive curvature found in zero-dimensional carbon onions or one-dimensional carbon nanotube arrays, exohedral interactions cause the normalized capacitance to increase with decreasing particle size or tube diameter, in sharp contrast to the behavior of nanoporous carbon materials. This finding is in good agreement with the trend of recent experimental data. Our analysis suggests that electrical energy storage can be improved by exploiting the highly curved surfaces of carbon nanotube arrays with diameters on the order of 1 nm.

  6. Green chemical synthesis of silver nanomaterials with maltodextrin...

    Office of Scientific and Technical Information (OSTI)

    Deposit morphology and optical properties are characterized using SEM and UV-vis techniques. Silver nanoparticles are generated under alkaline conditions by a dissolution-reduction ...

  7. Physicochemically functional ultrathin films by interfacial polymerization

    DOE Patents [OSTI]

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

    1990-08-14

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

  8. Crystallization and functionality of inorganic materials

    SciTech Connect (OSTI)

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

    2012-10-15

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

  9. Safety Management Functions, Responsibilities, and Authorities Manual

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

    1997-10-08

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

  10. Physicochemically functional ultrathin films by interfacial polymerization

    DOE Patents [OSTI]

    Lonsdale, Harold K. (Bend, OR); Babcock, Walter C. (Bend, OR); Friensen, Dwayne T. (Bend, OR); Smith, Kelly L. (Bend, OR); Johnson, Bruce M. (Bend, OR); Wamser, Carl C. (West Linn, OR)

    1990-01-01

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

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

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

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

  12. Emergency Support Function #12; Energy Annex

    Broader source: Energy.gov [DOE]

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

  13. Dipole rescattering and the nuclear structure function

    SciTech Connect (OSTI)

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

    2013-03-25

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

  14. Safety Management Functions, Responsibilities, and Authorities Manual

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

    2003-12-31

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

  15. dual-function | netl.doe.gov

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

    existing amine-based technology. This dual-function membrane is prepared by a unique sol-gel dip-coating process for depositing a microporous amino-silicate membrane on a...

  16. 6.20 Mapping Human Brain Function

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

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

  17. MDF Form and Function (Text Version)

    Broader source: Energy.gov [DOE]

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

  18. The geometry of electron wave functions

    SciTech Connect (OSTI)

    Aminov, Yurii A

    2013-02-28

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

  19. Translocator Protein Structure and Function | Stanford Synchrotron

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

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

  20. Extraction of Transversity and Collins Functions

    SciTech Connect (OSTI)

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

    2014-01-01

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

  1. Functionalized Polyacrylamide Monolith for Rapid Bacteria Pathogen

    Office of Scientific and Technical Information (OSTI)

    Detection in Human Blood. (Conference) | SciTech Connect Conference: Functionalized Polyacrylamide Monolith for Rapid Bacteria Pathogen Detection in Human Blood. Citation Details In-Document Search Title: Functionalized Polyacrylamide Monolith for Rapid Bacteria Pathogen Detection in Human Blood. Abstract not provided. Authors: Mai, Junyu ; Piccini, Matthew Ernest ; Hatch, Anson V. ; Abhyankar, Vinay V. ; Olano, Juan ; Willson, Richard Publication Date: 2014-01-01 OSTI Identifier: 1140705

  2. FTCP Functional Area Qualification Standards - TEMPLATE

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

    XXXX-20XX DOE-STD-XXXX-20XX Draft: Month Year DOE STANDARD NAME OF FUNCTIONAL AREA FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A: Approved for public release; distribution is unlimited NOT MEASUREMENT SENSITIVE Instructions DELETE THIS BOX AFTER READING Before beginning, ensure review/track changes are enabled. Complete this form by revising the highlighted fields.

  3. Suppression of Proinflammatory Cytokines in Functionalized

    Office of Scientific and Technical Information (OSTI)

    Fullerene-Exposed Dermal Keratinocytes (Journal Article) | SciTech Connect Suppression of Proinflammatory Cytokines in Functionalized Fullerene-Exposed Dermal Keratinocytes Citation Details In-Document Search Title: Suppression of Proinflammatory Cytokines in Functionalized Fullerene-Exposed Dermal Keratinocytes Authors: Gao, Jun ; Wang, Hsing-Lin ; Iyer, Rashi Publication Date: 2010-01-01 OSTI Identifier: 1198176 Grant/Contract Number: AC52-06NA25396 Type: Published Article Journal Name:

  4. Safety Management Functions, Responsibilities, and Authorities

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

    2001-05-22

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

  5. Density-dependent covariant energy density functionals

    SciTech Connect (OSTI)

    Lalazissis, G. A.

    2012-10-20

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

  6. Electroweak fragmentation functions for dark matter annihilation

    SciTech Connect (OSTI)

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

    2015-02-18

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

  7. Patent: Functional electrolyte for lithium-ion batteries | DOEpatents

    Office of Scientific and Technical Information (OSTI)

    Functional electrolyte for lithium-ion batteries Citation Details Title: Functional electrolyte for lithium-ion batteries

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

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

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

  9. Method of making low work function component

    DOE Patents [OSTI]

    Robinson, Vance (Niskayuna, NY); Weaver, Stanton Earl (Northville, NY); Michael, Joseph Darryl (Delmar, NY)

    2011-11-15

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

  10. HTGR Industrial Application Functional and Operational Requirements

    SciTech Connect (OSTI)

    L. E. Demick

    2010-08-01

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

  11. Aviation Safety Officer, Functional Area Qualification Standard

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

    2010-01-20

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

  12. Aviation Manager Functional Area Qualification Standard

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

    2009-12-09

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

  13. Poly(ethyleneoxide) functionalization through alkylation

    DOE Patents [OSTI]

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

    2015-04-21

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

  14. Safety Management Functions, Responsibilities, and Authorities Manual

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

    1999-10-18

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

  15. Photon structure function at small x

    SciTech Connect (OSTI)

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

    2001-07-01

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

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

    Office of Environmental Management (EM)

    Department of Energy Emergency Support Function #12; Energy Annex - Support Agencies Emergency Support Function #12; Energy Annex - Support Agencies Emergency Support Function #12 - Energy Annex - Support Agencies and their related activities PDF icon Emergency Support Function #12; Energy Annex More Documents & Publications Emergency Support Function #12; Energy Annex National Infrastructure Protection Plan State Energy Assurance Guidelines

  17. Infrared photoemitting diode having reduced work function

    DOE Patents [OSTI]

    Hirschfeld, Tomas B. (Livermore, CA)

    1984-01-01

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

  18. Infrared photoemitting diode having reduced work function

    DOE Patents [OSTI]

    Hirschfeld, T.B.

    1982-05-06

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

  19. Arterial endothelial function measurement method and apparatus

    DOE Patents [OSTI]

    Maltz, Jonathan S; Budinger, Thomas F

    2014-03-04

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

  20. Multiple soft limits of cosmological correlation functions

    SciTech Connect (OSTI)

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

    2015-01-01

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

  1. Bidirectional reflection functions from surface bump maps

    SciTech Connect (OSTI)

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

    1987-04-29

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

  2. The Full Function Test Explosive Generator

    SciTech Connect (OSTI)

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

    2009-12-13

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

  3. Redshift distortions of galaxy correlation functions

    SciTech Connect (OSTI)

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

    1993-05-12

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

  4. Functional Area Criteria & Review Approach Documents

    Broader source: Energy.gov [DOE]

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

  5. Functionalizing Nanotubes for Biomedical Applications - Donghui Zhang,

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

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

  6. Safeguards and Security Functional Area Qualification Standard

    Energy Savers [EERE]

    1-2009 May 2009 DOE STANDARD SAFEGUARDS AND SECURITY FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. DOE-STD-1171-2009 ii This document is available on the Department of Energy Technical Standards Program Web Site at http://www.hss.energy.gov/nuclearsafety/techstds/ DOE-STD-1171-2009 iii APPROVAL The Federal

  7. Quality Assurance Functional Area Qualification Standard

    Energy Savers [EERE]

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

  8. Radiation Protection Functional Area Qualification Standard

    Energy Savers [EERE]

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

  9. Environmental Compliance Functional Area Qualification Standard

    Office of Environmental Management (EM)

    56-2011 June 2011 DOE STANDARD ENVIRONMENTAL COMPLIANCE FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; further dissemination unlimited. (Unclassified Unlimited) DOE-STD-1156-2011 ii This document is available on the Department of Energy Technical Standards Program Web Site at http://www.hss.energy.gov/nuclearsafety/ns/techstds/

  10. Facility Maintenance Management Functional Area Qualification Standard

    Office of Environmental Management (EM)

    81-2014 April 2014 DOE STANDARD FACILITY MAINTENANCE MANAGEMENT FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A: Approved for public release; distribution is unlimited. DOE-STD-1181-2014 ii This document is available on the Department of Energy Technical Standards Program Website at http://www.hss.energy.gov/nuclearsafety/ns/techstds/ DOE-STD-1181-2014 iv INTENTIONALLY

  11. Facility Representative Functional Area Qualification Standard

    Office of Environmental Management (EM)

    DOE-STD-1151-2010 October 2010 DOE STANDARD FACILITY REPRESENTATIVE FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. DOE-STD-1151-2010 ii This document is available on the Department of Energy Office of Health, Safety and Security Approved DOE Technical Standards Web Site at

  12. Fire Protection Engineering Functional Area Qualification Standard

    Office of Environmental Management (EM)

    37-2014 April 2014 _______________________________ Supersedes DOE-STD-1137-2007 September 2007 DOE STANDARD FIRE PROTECTION ENGINEERING FUNCTIONAL AREA QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A: Approved for public release; distribution is unlimited. DOE-STD-1137-2014 ii This document is available on the Department of Energy Technical Standards Program Website at

  13. Instrumentation and Control Functional Area Qualification Standard

    Office of Environmental Management (EM)

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

  14. Industrial Hygiene Functional Area Qualification Standard

    Office of Environmental Management (EM)

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

  15. Combined photonics and MEMs function demonstration

    SciTech Connect (OSTI)

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

    1998-01-01

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

  16. Development of a functionalized Xenon biosensor

    SciTech Connect (OSTI)

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

    2004-03-25

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  19. Functionality of Commercial NOx Storage-Reduction Catalysts and...

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

    Functionality of Commercial NOx Storage-Reduction Catalysts and the Development of a Representative Model Functionality of Commercial NOx Storage-Reduction Catalysts and the...

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

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

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

  1. Anomalous dimensions of the double parton fragmentation functions...

    Office of Scientific and Technical Information (OSTI)

    Anomalous dimensions of the double parton fragmentation functions Citation Details In-Document Search Title: Anomalous dimensions of the double parton fragmentation functions ...

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

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

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

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

    Office of Scientific and Technical Information (OSTI)

    Density Functional Theory Approach to Nuclear Fission Citation Details In-Document Search Title: Density Functional Theory Approach to Nuclear Fission Authors: Schunck, N Publication ...

  4. ALS Capabilities Reveal Multiple Functions of Ebola Virus

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

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

    Communities Functional gene arrays (FGA) are microarrays that contain probes for genes encoding proteins or enzymes involved in functions of interest and allow for the study...

  10. Engineering Ultra-Low Work Function of Graphene (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Engineering Ultra-Low Work Function of Graphene Citation Details In-Document Search Title: Engineering Ultra-Low Work Function of Graphene Authors: Yuan, Hongyuan ; Chang, Shuai ; ...

  11. Structural and functional analysis of FIP2 binding to theendosome...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Structural and functional analysis of FIP2 binding to the endosome-localised Rab25 GTPase Citation Details In-Document Search Title: Structural and functional ...

  12. Smisc - A collection of miscellaneous functions

    Energy Science and Technology Software Center (OSTI)

    2015-08-31

    A collection of functions for statistical computing and data manipulation. These include routines for rapidly aggregating heterogeneous matrices, manipulating file names, loading R objects, sourcing multiple R files, formatting datetimes, multi-core parallel computing, stream editing, specialized plotting, etc. • Smisc-package A collection of miscellaneous functions allMissing Identifies missing rows or columns in a data frame or matrix as.numericSilent Silent wrapper for coercing a vector to numeric comboList Produces all possible combinations of a set ofmore » linear model predictors cumMax Computes the maximum of the vector up to the current index cumsumNA Computes the cummulative sum of a vector without propogating NAs d2binom Probability functions for the sum of two independent binomials dataIn A flexible way to import data into R. dbb The Beta-Binomial Distribution df2list Row-wise conversion of a data frame to a list dfplapply Parallelized single row processing of a data frame dframeEquiv Examines the equivalence of two dataframes or matrices dkbinom Probability functions for the sum of k independent binomials factor2character Converts all factor variables in a dataframe to character variables findDepMat Identify linearly dependent rows or columns in a matrix formatDT Converts date or datetime strings into alternate formats getExtension Filename manipulations: remove the extension or path, extract the extension or path getPath Filename manipulations: remove the extension or path, extract the extension or path grabLast Filename manipulations: remove the extension or path, extract the extension or path ifelse1 Non-vectorized version of ifelse integ Simple numerical integration routine interactionPlot Two-way Interaction Plot with Error Bar linearMap Linear mapping of a numerical vector or scalar list2df Convert a list to a data frame loadObject Loads and returns the object(s) in an ".Rdata" file more Display the contents of a file to the R terminal movAvg2 Calculate the moving average using a 2-sided window openDevice Opens a graphics device based on the filename extension p2binom Probability functions for the sum of two independent binomials padZero Pad a vector of numbers with zeros parseJob Parses a collection of elements into (almost) equal sized groups pbb The Beta-Binomial Distribution pcbinom A continuous version of the binomial cdf pkbinom Probability functions for the sum of k independent binomials plapply Simple parallelization of lapply plotFun Plot one or more functions on a single plot PowerData An example of power data pvar Prints the name and value of one or more objects qbb The Beta-Binomial Distribution rbb And numerous others (space limits reporting).« less

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

    SciTech Connect (OSTI)

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

    2013-04-15

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

  14. Patterned functional carbon fibers from polyethylene

    SciTech Connect (OSTI)

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

    2012-01-01

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

  15. High Speed SPM of Functional Materials

    SciTech Connect (OSTI)

    Huey, Bryan D.

    2015-08-14

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

  16. Accelerating functional verification of an integrated circuit

    DOE Patents [OSTI]

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

    2015-11-05

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

  17. Accelerating functional verification of an integrated circuit

    DOE Patents [OSTI]

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

    2015-10-27

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

  18. Gen IV Materials Handbook Functionalities and Operation

    SciTech Connect (OSTI)

    Ren, Weiju

    2009-12-01

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

  19. Functional Area Qualification Standards | Department of Energy

    Office of Environmental Management (EM)

    Standards Functional Area Qualification Standards Qualification Standard Qualification Standard Number Approved Aviation Manager DOE-STD-1165-2003 (CN-1) 2009-12 Aviation Safety Officer DOE-STD-1164-2003 (CN-1) 2010-01 Chemical Processing DOE-STD-1176-2010 2010-02 Civil/Structural Engineering DOE-STD-1182-2014 2014-09 Confinement Ventilation and Process Gas Treatment DOE-STD-1168-2013 2013-10 Construction Management DOE-STD-1180-2004 2004-03 Criticality Safety DOE-STD-1173-2009 2009-04

  20. Criticality Safety Functional Area Qualification Standard

    Office of Environmental Management (EM)

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

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

    SciTech Connect (OSTI)

    Schneider, T.C.

    1997-01-17

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

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

    SciTech Connect (OSTI)

    Not Available

    1993-03-01

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

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

    SciTech Connect (OSTI)

    Not Available

    1989-07-01

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

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

    SciTech Connect (OSTI)

    Not Available

    1982-02-01

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

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

    SciTech Connect (OSTI)

    2015-03-02

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

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

    Energy Science and Technology Software Center (OSTI)

    2015-03-02

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

  7. Functional relationship-based alarm processing system

    DOE Patents [OSTI]

    Corsberg, Daniel R.

    1989-01-01

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

  8. Surface modification of polyethylene by functionalized plasma

    SciTech Connect (OSTI)

    Yuan, S.; Marchant, R.E.

    1993-12-31

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

  9. Functionalized inorganic membranes for gas separation

    DOE Patents [OSTI]

    Ku, Anthony Yu-Chung (Rexford, NY); Ruud, James Anthony (Delmar, NY); Molaison, Jennifer Lynn (Marietta, GA); Schick, Louis Andrew ,(Delmar, NY); Ramaswamy, Vidya (Niskayuna, NY)

    2008-07-08

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

  10. Functional relationship-based alarm processing system

    DOE Patents [OSTI]

    Corsberg, D.R.

    1988-04-22

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

  11. Joining of Tungsten Armor Using Functional Gradients

    SciTech Connect (OSTI)

    John Scott O'Dell

    2006-12-31

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

  12. Periodic subsystem density-functional theory

    SciTech Connect (OSTI)

    Genova, Alessandro; Pavanello, Michele; Ceresoli, Davide

    2014-11-07

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

  13. The Gut Microbiota: Ecology and Function

    SciTech Connect (OSTI)

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

    2010-06-01

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

  14. Arithmetic functions in torus and tree networks

    DOE Patents [OSTI]

    Bhanot, Gyan (Princeton, NJ); Blumrich, Matthias A. (Ridgefield, CT); Chen, Dong (Croton On Hudson, NY); Gara, Alan G. (Mount Kisco, NY); Giampapa, Mark E. (Irvington, NY); Heidelberger, Philip (Cortlandt Manor, NY); Steinmacher-Burow, Burkhard D. (Mount Kisco, NY); Vranas, Pavlos M. (Bedford Hills, NY)

    2007-12-25

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

  15. Building a Universal Nuclear Energy Density Functional

    SciTech Connect (OSTI)

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

    2012-12-30

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

  16. ALS Capabilities Reveal Multiple Functions of Ebola Virus

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

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

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

    SciTech Connect (OSTI)

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

    1996-02-01

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

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

    SciTech Connect (OSTI)

    Gidopoulos, Nikitas I.

    2011-04-15

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

  19. A Library of Basic System Functions

    Energy Science and Technology Software Center (OSTI)

    1995-06-01

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

  20. A Library of Basic System Functions

    Energy Science and Technology Software Center (OSTI)

    1995-06-01

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

  1. Functional relationship-based alarm processing

    DOE Patents [OSTI]

    Corsberg, D.R.

    1987-04-13

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

  2. Systematics of strength function sum rules

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

    Johnson, Calvin W.

    2015-08-28

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

  3. Chiral anomalies and zeta-function regularization

    SciTech Connect (OSTI)

    Reuter, M.

    1985-03-15

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

  4. Gas Test Loop Functional and Technical Requirements

    SciTech Connect (OSTI)

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

    2004-09-01

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

  5. Function analysis for waste information systems

    SciTech Connect (OSTI)

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

    1996-04-01

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

  6. Complementary influence functions for predicting subsidence caused by mining

    SciTech Connect (OSTI)

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

    1982-01-01

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

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

    Office of Scientific and Technical Information (OSTI)

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

  8. Two Studies Reveal Details of Lithium-Battery Function

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

    Two Studies Reveal Details of Lithium-Battery Function Two Studies Reveal Details of Lithium-Battery Function Print Wednesday, 27 February 2013 00:00 Our way of life is deeply...

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

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

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

  10. On strongly GA-convex functions and stochastic processes

    SciTech Connect (OSTI)

    Bekar, Nurgül Okur; Akdemir, Hande Günay; ??can, ?mdat

    2014-08-20

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

  11. ALS Capabilities Reveal Multiple Functions of Ebola Virus

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

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

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

    Office of Scientific and Technical Information (OSTI)

    at www.ntis.gov. Functional gene arrays (FGA) are microarrays that contain probes for genes encoding proteins or enzymes involved in functions of interest and allow for the study...

  13. Tank waste remediation system functions and requirements document

    SciTech Connect (OSTI)

    Carpenter, K.E

    1996-10-03

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

  14. Functional relationship-based alarm processing

    DOE Patents [OSTI]

    Corsberg, Daniel R.

    1988-01-01

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

  15. Orbital-optimized density cumulant functional theory

    SciTech Connect (OSTI)

    Sokolov, Alexander Yu. Schaefer, Henry F.

    2013-11-28

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

  16. Functional Mock-up Unit Export of EnergyPlus

    Energy Science and Technology Software Center (OSTI)

    2012-08-01

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

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

    SciTech Connect (OSTI)

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

    2014-08-19

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

  18. ALS Capabilities Reveal Multiple Functions of Ebola Virus

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

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

  19. ALS Capabilities Reveal Multiple Functions of Ebola Virus

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

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

  20. ALS Capabilities Reveal Multiple Functions of Ebola Virus

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

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

  1. Quark-gluon correlation functions relevant to single transverse spin

    Office of Scientific and Technical Information (OSTI)

    asymmetries (Journal Article) | SciTech Connect Quark-gluon correlation functions relevant to single transverse spin asymmetries Citation Details In-Document Search Title: Quark-gluon correlation functions relevant to single transverse spin asymmetries We investigate the relative size of various twist-3 quark-gluon correlation functions relevant to single transverse spin asymmetries (SSAs) in a quark-diquark model of the nucleon. We calculate the quark-gluon correlation function T{sub

  2. POLICY GUIDANCE MEMORANDUM #25 Functional Accountability | Department of

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

    Energy 5 Functional Accountability POLICY GUIDANCE MEMORANDUM #25 Functional Accountability Policy Statement reiterating that the Human Resources Directors (HRDs) are accountable to the Chief Human Capital Officer (CHCO) on matters pertaining to Functional Accountability. PDF icon Guidance Memorandum #25 Functional Accountability Responsible Contacts George Waldmann SUPERVISORY HUMAN RESOURCES SPECIALIST E-mail george.waldmann@hq.doe.gov Phone 202-586-9904 More Documents & Publications

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

    SciTech Connect (OSTI)

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

    2009-01-01

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

  4. Directed Organization of Functional Materials at Inorganic-Macromolecular

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

    Interfaces Alex Noy is the Principal Investigator for Directed Organization of Functional Materials at Inorganic-Macromolecular Interfaces. Directed Organization of Functional Materials at Inorganic-Macromolecular Interfaces Research The purpose of this project is to develop a quantitative physical picture of macromolecular organization and its relationship to function, and to use macromolecular organization to derive new functionality. The project has several major subtasks in addition to

  5. Internal compiler error for function pointer with identically named

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

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

  6. ALS Capabilities Reveal Multiple Functions of Ebola Virus

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

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

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

    SciTech Connect (OSTI)

    Not Available

    1984-01-01

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

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

    SciTech Connect (OSTI)

    Not Available

    1992-02-01

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

  9. Magnetic spectroscopy and microscopy of functional materials

    SciTech Connect (OSTI)

    Jenkins, C.A.

    2011-01-28

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

  10. Surface functionalized mesoporous material and method of making same

    DOE Patents [OSTI]

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

    2001-12-04

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

  11. Observation concerning the process dependence of the Sivers functions

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Observation concerning the process dependence of the Sivers functions Citation Details In-Document Search Title: Observation concerning the process dependence of the Sivers functions The k{sub perpendicular} moment of a quark's Sivers function is known to be related to the corresponding twist-three quark-gluon correlation function T{sub q,F}(x,x). The two functions have been extracted from data for single-spin asymmetries in semi-inclusive deep-inelastic

  12. Bioinspired Nanoscale Materials for Biomedical and Energy Applications

    SciTech Connect (OSTI)

    Bhattacharya, Priyanka; Du, Dan; Lin, Yuehe

    2014-05-01

    The demand of green, affordable and environmentally sustainable materials has encouraged scientists in different fields to draw inspiration from nature in developing materials with unique properties such as miniaturization, hierarchical organization, and adaptability. Together with the exceptional properties of nanomaterials, over the past century, the field of bioinspired nanomaterials has taken huge leaps. While on one hand, the sophistication of hierarchical structures endow biological systems with multifunctionality, the synthetic control on the creation of nanomaterials enables the design of materials with specific functionalities. The aim of this review is to provide a comprehensive, up-to-date overview of the field of bioinspired nanomaterials, which we have broadly categorized into biotemplates and biomimics. We will discuss the application of bioinspired nanomaterials as biotemplates in catalysis, nanomedicine, immunoassays and in energy, drawing attention to novel materials such as protein cages. Further, the applications of bioinspired materials in tissue engineering and biomineralization will also be discussed.

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

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

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

  14. SECURITY CORE FUNCTION AND DEFINITION REPORT | Department of Energy

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

    SECURITY CORE FUNCTION AND DEFINITION REPORT SECURITY CORE FUNCTION AND DEFINITION REPORT The first phase of the Lemnos Interoperable Security Program shall lay the foundation for future work by providing a guiding example of the vocabulary, metrics, interoperability requirements and interoperability assurance methodologies used to create interoperable network security products. From a requirements definition perspective, this translates to: PDF icon SECURITY CORE FUNCTION AND DEFINITION REPORT

  15. Poly(ethyleneoxide) functionalization through alkylation (Patent) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Poly(ethyleneoxide) functionalization through alkylation Citation Details In-Document Search Title: Poly(ethyleneoxide) functionalization through alkylation A new and efficient method of functionalizing high molecular weight polymers through alkylation using a metal amide base is described. This novel procedure can also be used to synthesize polymer-based macro-initiators containing radical initiating groups at the chain-ends for synthesis of block copolymers. Authors: Sivanandan,

  16. Evolution of twist-3 multiparton correlation functions relevant to single

    Office of Scientific and Technical Information (OSTI)

    transverse-spin asymmetry (Journal Article) | SciTech Connect Evolution of twist-3 multiparton correlation functions relevant to single transverse-spin asymmetry Citation Details In-Document Search Title: Evolution of twist-3 multiparton correlation functions relevant to single transverse-spin asymmetry We construct two sets of twist-3 correlation functions that are responsible for generating the novel single transverse-spin asymmetry in the QCD collinear factorization approach. We derive

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

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

    De novo design of functional proteins: Toward artificial hydrogenases Authors: Faiella, M., Roy, A., Sommer, D., Ghirlanda, G. Title: De novo design of functional proteins: Toward artificial hydrogenases Source: Biopolymers Year: 2013 Volume: 100 Pages: 558 - 571 ABSTRACT: Over the last 25 years, de novo design has proven to be a valid approach to generate novel, well-folded proteins, and most recently, functional proteins. In response to societal needs, this approach is been used increasingly

  18. Covalently functionalized carbon nanostructures and methods for their separation

    DOE Patents [OSTI]

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

    2015-03-17

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

  19. Center for Nanophase Materials Sciences (CNMS) - Functional Polymer and

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

    Hybrid Architectures (FPHA) FUNCTIONAL POLYMER AND HYBRID ARCHITECTURES (FPHA) The overarching goal of the Functional Polymer and Hybrid Architectures (FPHA) theme is to understand, design, and manipulate the multiscale self-assembly of macromolecular and hybrid materials to tailor electronic transport and response. The emphasis is on probing the mechanisms of self-assembly that are essential for the development of functional hybrid architectures of relevance to energy technologies, such as

  20. Uncertainty Quantification and Propagation in Nuclear Density Functional

    Office of Scientific and Technical Information (OSTI)

    Theory (Conference) | SciTech Connect Conference: Uncertainty Quantification and Propagation in Nuclear Density Functional Theory Citation Details In-Document Search Title: Uncertainty Quantification and Propagation in Nuclear Density Functional Theory Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going eff orts seek to better root

  1. Extractions of polarized and unpolarized parton distribution functions

    SciTech Connect (OSTI)

    Jimenez-Delgado, Pedro

    2014-01-01

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

  2. Outreach and Collaboration Functional Area Analysis Report | Department of

    Energy Savers [EERE]

    Energy Functional Area Analysis Report Outreach and Collaboration Functional Area Analysis Report November 2008 The Department of Energy (DOE) Office of Health, Safety and Security (HSS) has established an outreach and collaboration program to ensure continuous communications and information sharing among its managers, stakeholders (including DOE line managers), and customers in the areas of health, safety, and security performance. PDF icon Outreach and Collaboration Functional Area

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

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

    Find More Like This Return to Search A Single Multi-Functional Enzyme for Efficient Biomass Conversion National Renewable Energy Laboratory Contact NREL About This Technology...

  4. Autocorrelation Function Statistics and Implication to Decay Ratio Estimation

    SciTech Connect (OSTI)

    March-Leuba, Jose A.

    2016-01-01

    This document summarizes the results of a series of computer simulations to attempt to identify the statistics of the autocorrelation function, and implications for decay ratio estimation.

  5. New parton distribution functions from a global analysis of quantum...

    Office of Scientific and Technical Information (OSTI)

    New parton distribution functions from a global analysis of quantum chromodynamics ... Country of Publication: United States Language: English Word Cloud More Like This Free Publicly ...

  6. Suppression of Proinflammatory Cytokines in FunctionalizedFullerene...

    Office of Scientific and Technical Information (OSTI)

    Cytokines in Functionalized Fullerene-Exposed Dermal Keratinocytes Authors: Gao, Jun ; Wang, Hsing-Lin ; Iyer, Rashi Publication Date: 2010-01-01 OSTI Identifier: 1198176...

  7. Remote sensing-based characterization of plant functional type...

    Office of Scientific and Technical Information (OSTI)

    Mapping and monitoring of changes in vegetation is essential to understand the effect of climate change on the ecosystem functions. Vegetation exhibits unique spectral...

  8. Sandia Energy - National Rotor Testbed Functional Scaling Presented...

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

    Home Renewable Energy Energy SWIFT Facilities Partnership News Wind Energy News & Events Systems Analysis National Rotor Testbed Functional Scaling Presented at American Institute...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

    Title: Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody 2424 with Neutralizing Activity against HIV-1 JRFL Authors: Kumar, Rajnish ; Pan, Ruimin ...

  11. Two Studies Reveal Details of Lithium-Battery Function

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

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

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

    Office of Scientific and Technical Information (OSTI)

    Fragment Properties Citation Details In-Document Search Title: Description of Induced Nuclear Fission with Skyrme Energy Functionals: I. Static Potential Energy Surfaces and...

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

    Office of Scientific and Technical Information (OSTI)

    Temperature Effects Citation Details In-Document Search Title: Description of Induced Nuclear Fission with Skyrme Energy Functionals: II. Finite Temperature Effects You are...

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

    SciTech Connect (OSTI)

    Botelho, L. C. L.

    1989-07-15

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

  15. Magneto-Optic Biosensor Using Bio-Functionalized Magnetic Nanoparticle...

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

    Magneto-Optic Biosensor Using Bio-Functionalized Magnetic Nanoparticles Technology available for licensing: A long-range interaction between magnetic nanoparticles and an external...

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

    Office of Scientific and Technical Information (OSTI)

    temperature in a gauge invariant formalism Citation Details In-Document Search Title: Spectral function of a fermion coupled with a massive vector boson at finite temperature in ...

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

    Office of Scientific and Technical Information (OSTI)

    II. Finite Temperature Effects Citation Details In-Document Search Title: Description of Induced Nuclear Fission with Skyrme Energy Functionals: II. Finite Temperature Effects ...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

    structure among different microbial speciespopulations. Here, a novel random matrix theory (RMT)-based conceptual framework for identifying functional ecological gene...

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

    Office of Scientific and Technical Information (OSTI)

    Self-consistent second-order Green's function perturbation theory for periodic systems Citation Details In-Document Search This content will become publicly available on February...

  1. Trajectories of Microbial Community Function in Response to Accelerate...

    Office of Scientific and Technical Information (OSTI)

    Trajectories of Microbial Community Function in Response to Accelerated Remediation of Subsurface Metal Contaminants Citation Details In-Document Search Title: Trajectories of...

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

    Office of Scientific and Technical Information (OSTI)

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

  3. Discovery of functional toxin/antitoxin systems in bacteria by...

    Office of Scientific and Technical Information (OSTI)

    Discovery of functional toxinantitoxin systems in bacteria by shotgun cloning Citation ... Research Org: Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US) ...

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

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

    Interpenetration control in metal-organic frameworks for functional applications Previous Next List Hai-Long Jiang, Trevor A. Makal, Hong-Cai Zhou, Coord. Chem. Rev., 257,...

  5. ANALOG QUANTUM NEURON FOR FUNCTIONS APPROXIMATION A. EZHOV; A...

    Office of Scientific and Technical Information (OSTI)

    FOR FUNCTIONS APPROXIMATION A. EZHOV; A. KHROMOV; G. BERMAN 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; IMPLEMENTATION; NERVE CELLS; WAVEGUIDES We describe a system able...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

    This content will become publicly available on July 10, 2016 Title: Density functional ... will become publicly available on July 10, 2016 Publisher's Version of Record 10.1149...

  8. Recoding of Bacterial Genome Produces Proteins with New Functions...

    Office of Science (SC) Website

    implications for engineering organisms to produce novel proteins that perform new functions needed in processes relevant to the DOE mission, including biofuel production. ...

  9. Remote sensing-based characterization of plant functional type

    Office of Scientific and Technical Information (OSTI)

    Mapping and monitoring of changes in vegetation is essential to understand the effect of climate change on the ecosystem functions. Vegetation exhibits unique spectral...

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

    Office of Scientific and Technical Information (OSTI)

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

  11. Mapping of Functional Groups in Metal-Organic Frameworks | Center...

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

    Mapping of Functional Groups in Metal-Organic Frameworks Previous Next List Xueqian Kong, Hexiang Deng, Fangyong Yan, Jihan Kim, Joseph A. Swisher, Berend Smit, Omar M. Yaghi,...

  12. An extracytoplasmic function sigma factor-dependent periplasmic...

    Office of Scientific and Technical Information (OSTI)

    for survival and Shewanella harbors multiple ECF (extracytoplasmic function) genes and cognate anti-sigma factor genes. Here we comparatively analyzed two of the...

  13. Post-Fabrication Placement of Arbitrary Chemical Functionality...

    Office of Scientific and Technical Information (OSTI)

    Post-Fabrication Placement of Arbitrary Chemical Functionality on Microphase-Separated Thin Films of Amine-Reactive Block Copolymers Citation Details In-Document Search Title: ...

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

    Office of Scientific and Technical Information (OSTI)

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

  15. FOAM (Functional Ontology Assignments for Metagenomes): A Hidden...

    Office of Scientific and Technical Information (OSTI)

    Ontology Assignments for Metagenomes): A Hidden Markov Model (HMM) database with environmental focus Citation Details In-Document Search Title: FOAM (Functional Ontology...

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

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

    Functional Area At the Department of Energy, the Secretarial Delegation of Authority is the legal instrument used to transfer authority granted to the Secretary of Energy by...

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

    Office of Scientific and Technical Information (OSTI)

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

  18. Azide functionalized poly(3-hexylthiophene) and method of forming same

    DOE Patents [OSTI]

    Qin, Yang; Grubbs, Robert B; Park, Young Suk

    2014-03-25

    The invention relates azide functionalized poly(3-hexylthiophene)s. Various azide functionalized poly(3-hexylthiophene)s and intermediates are disclosed and described, as well as method for making novel monomers that are synthesized and transformed into P3HT-N.sub.mp for use as organic conducting polymers in organic photovoltaic devices.

  19. Functionalized mesoporous silica nanoparticles for oral delivery of budesonide

    SciTech Connect (OSTI)

    Yoncheva, K.; Popova, M.; Szegedi, A.; Mihaly, J.; Tzankov, B.; Lambov, N.; Konstantinov, S.; Tzankova, V.; Pessina, F.; Valoti, M.

    2014-03-15

    Non-functionalized and amino-functionalized mesoporous silica nanoparticle were loaded with anti-inflammatory drug budesonide and additionally post-coated with bioadhesive polymer (carbopol). TEM images showed spherical shape of the nanoparticles and slightly higher polydispersity after coating with carbopol. Nitrogen physisorption and thermogravimetic analysis revealed that more efficient loading and incorporation into the pores of nanoparticles was achieved with the amino-functionalized silica carrier. Infrared spectra indicated that the post-coating of these nanoparticles with carbopol led to the formation of bond between amino groups of the functionalized carrier and carboxyl groups of carbopol. The combination of amino-functionalization of the carrier with the post-coating of the nanoparticles sustained budesonide release. Further, an in vitro model of inflammatory bowel disease showed that the cytoprotective effect of budesonide loaded in the post-coated silica nanoparticles on damaged HT-29 cells was more pronounced compared to the cytoprotection obtained with pure budesonide. -- Graphical abstract: Silica mesoporous MCM-41 particles were amino-functionalized, loaded with budesonide and post-coated with bioadhesive polymer (carbopol) in order to achieve prolonged residence of anti-inflammatory drug in GIT. Highlights: • Higher drug loading in amino-functionalized mesoporous silica. • Amino-functionalization and post-coating of the nanoparticles sustained drug release. • Achievement of higher cytoprotective effect with drug loaded into the nanoparticles.

  20. US Nuclear Regulatory Commission organization charts and functional statements

    SciTech Connect (OSTI)

    1997-11-01

    This document contains organization charts for the U.S. Nuclear Regulatory Commission (NRC) and for the five offices of the NRC. Function statements are provided delineating the major responsibilities and operations of each office. Organization and function are provided to the branch level. The head of each office, division, and branch is also listed.

  1. ARES: automated response function code. Users manual. [HPGAM and LSQVM

    SciTech Connect (OSTI)

    Maung, T.; Reynolds, G.M.

    1981-06-01

    This ARES user's manual provides detailed instructions for a general understanding of the Automated Response Function Code and gives step by step instructions for using the complete code package on a HP-1000 system. This code is designed to calculate response functions of NaI gamma-ray detectors, with cylindrical or rectangular geometries.

  2. Local representation of the electronic dielectric response function

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

    Lu, Deyu; Ge, Xiaochuan

    2015-12-11

    We present a local representation of the electronic dielectric response function, based on a spatial partition of the dielectric response into contributions from each occupied Wannier orbital using a generalized density functional perturbation theory. This procedure is fully ab initio, and therefore allows us to rigorously define local metrics, such as “bond polarizability,” on Wannier centers. We show that the locality of the bare response function is determined by the locality of three quantities: Wannier functions of the occupied manifold, the density matrix, and the Hamiltonian matrix. Furthermore, in systems with a gap, the bare dielectric response is exponentially localized,more » which supports the physical picture of the dielectric response function as a collection of interacting local responses that can be captured by a tight-binding model.« less

  3. Local representation of the electronic dielectric response function

    SciTech Connect (OSTI)

    Lu, Deyu; Ge, Xiaochuan

    2015-12-11

    We present a local representation of the electronic dielectric response function, based on a spatial partition of the dielectric response into contributions from each occupied Wannier orbital using a generalized density functional perturbation theory. This procedure is fully ab initio, and therefore allows us to rigorously define local metrics, such as “bond polarizability,” on Wannier centers. We show that the locality of the bare response function is determined by the locality of three quantities: Wannier functions of the occupied manifold, the density matrix, and the Hamiltonian matrix. Furthermore, in systems with a gap, the bare dielectric response is exponentially localized, which supports the physical picture of the dielectric response function as a collection of interacting local responses that can be captured by a tight-binding model.

  4. Muge Acik | Argonne National Laboratory

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

    At Argonne's Center for Nanoscale Materials (CNM), Acik researches how nanomaterials important to energy and biotechnology applications function, and she addresses fabrication issues at the surfaces and interfaces of nanoelectrodes with creative designs. At Argonne's Center for Nanoscale Materials (CNM), Acik researches how nanomaterials important to energy and biotechnology applications function, and she addresses fabrication issues at the surfaces and interfaces of nanoelectrodes with creative

  5. Bright Lights and Even Brighter Ideas | Department of Energy

    Energy Savers [EERE]

    and Even Brighter Ideas Bright Lights and Even Brighter Ideas July 3, 2013 - 2:04pm Addthis Kim Kisslinger, a researcher at Brookhaven Lab's Center for Functional Nanomaterials seen here with a focused-ion beam instrument, reduced the indium gallium nitride (InGaN) samples to a thickness of just 20 nanometers to prepare them for electron microscopy. | Photo courtesy of Brookhaven National Laboratory. Kim Kisslinger, a researcher at Brookhaven Lab's Center for Functional Nanomaterials seen here

  6. Fresh Air That's as Good as Gold | Department of Energy

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

    Fresh Air That's as Good as Gold Fresh Air That's as Good as Gold July 8, 2013 - 5:25pm Addthis Brookhaven Lab physicists Peter Sutter, Eli Sutter,and Xiao Tong (left to right) with one of the Center for Functional Nanomaterials instruments used to characterize the new nanoparticle structures. | Photo courtesy of Brookhaven National Lab. Brookhaven Lab physicists Peter Sutter, Eli Sutter,and Xiao Tong (left to right) with one of the Center for Functional Nanomaterials instruments used to

  7. The four-loop six-gluon NMHV ratio function

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

    Dixon, Lance J.; von Hippel, Matt; McLeod, Andrew J.

    2016-01-11

    We use the hexagon function bootstrap to compute the ratio function which characterizes the next-to-maximally-helicity-violating (NMHV) six-point amplitude in planar N=4 super-Yang-Mills theory at four loops. A powerful constraint comes from dual superconformal invariance, in the form of a Q¯ differential equation, which heavily constrains the first derivatives of the transcendental functions entering the ratio function. At four loops, it leaves only a 34-parameter space of functions. Constraints from the collinear limits, and from the multi-Regge limit at the leading-logarithmic (LL) and next-to-leading-logarithmic (NLL) order, suffice to fix these parameters and obtain a unique result. We test the result againstmore » multi-Regge predictions at NNLL and N3LL, and against predictions from the operator product expansion involving one and two flux-tube excitations; all cross-checks are satisfied. We study the analytical and numerical behavior of the parity-even and parity-odd parts on various lines and surfaces traversing the three-dimensional space of cross ratios. As part of this program, we characterize all irreducible hexagon functions through weight eight in terms of their coproduct. As a result, we also provide representations of the ratio function in particular kinematic regions in terms of multiple polylogarithms.« less

  8. Gas sorption properties of zwitterion-functionalized carbon nanotubes

    SciTech Connect (OSTI)

    Surapathi, Anil; Chen, Hang-yan; Marand, Eva; Johnson, J. Karl; Sedlakova, Zdenka

    2013-02-01

    We have functionalized carbon nanotubes with carboxylic acid and zwitterion groups. We have evaluated the effect of functionalization by measuring the sorption of CO{sub 2}, CH{sub 4}, and N{sub 2} at 35? for pressures up to 10 bar. Zwitterion functionalized nanotubes were found to be highly hygroscopic. Thermal gravimetric analysis indicates that water can be desorbed at about 200°C. The adsorption of gases in zwitterion functionalized nanotubes is dramatically reduced compared with nanotubes functionalized with carboxylic acid groups. The presence of water on the zwitterion functionalized nanotube reduces the sorption even further. Molecular simulations show that three or more zwitterion groups per tube entrance are required to significantly reduce the flux of CO{sub 2} into the tubes. Simulations also show that gas phase water is rapidly sorbed into the zwitterion functionalized nanotubes, both increasing the free energy barrier to CO{sub 2} entering the tube and also lowering the equilibrium adsorption through competitive adsorption.

  9. The Four-loop Six-gluon NMHV Ratio Function

    SciTech Connect (OSTI)

    Dixon, Lance J.; von Hippel, Matt; McLeod, Andrew J.

    2015-09-29

    We use the hexagon function bootstrap to compute the ratio function which characterizes the next-to-maximally-helicity-violating (NMHV) six-point amplitude in planar N = 4 super-Yang-Mills theory at four loops. A powerful constraint comes from dual superconformal invariance, in the form of a Q- differential equation, which heavily constrains the first derivatives of the transcendental functions entering the ratio function. At four loops, it leaves only a 34-parameter space of functions. Constraints from the collinear limits, and from the multi-Regge limit at the leading-logarithmic (LL) and next-to-leading-logarithmic (NLL) order, suffice to fix these parameters and obtain a unique result. We test the result against multi- Regge predictions at NNLL and N3LL, and against predictions from the operator product expansion involving one and two flux-tube excitations; all cross-checks are satisfied. We also study the analytical and numerical behavior of the parity-even and parity-odd parts on various lines and surfaces traversing the three-dimensional space of cross ratios. As part of this program, we characterize all irreducible hexagon functions through weight eight in terms of their coproduct. Furthermore, we provide representations of the ratio function in particular kinematic regions in terms of multiple polylogarithms.

  10. Hybrid function projective synchronization in complex dynamical networks

    SciTech Connect (OSTI)

    Wei, Qiang; Wang, Xing-yuan, E-mail: wangxy@dlut.edu.cn; Hu, Xiao-peng [Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China)] [Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China)

    2014-02-15

    This paper investigates hybrid function projective synchronization in complex dynamical networks. When the complex dynamical networks could be synchronized up to an equilibrium or periodic orbit, a hybrid feedback controller is designed to realize the different component of vector of node could be synchronized up to different desired scaling function in complex dynamical networks with time delay. Hybrid function projective synchronization (HFPS) in complex dynamical networks with constant delay and HFPS in complex dynamical networks with time-varying coupling delay are researched, respectively. Finally, the numerical simulations show the effectiveness of theoretical analysis.

  11. A radial basis function Galerkin method for inhomogeneous nonlocal diffusion

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

    Lehoucq, Richard B.; Rowe, Stephen T.

    2016-02-01

    We introduce a discretization for a nonlocal diffusion problem using a localized basis of radial basis functions. The stiffness matrix entries are assembled by a special quadrature routine unique to the localized basis. Combining the quadrature method with the localized basis produces a well-conditioned, sparse, symmetric positive definite stiffness matrix. We demonstrate that both the continuum and discrete problems are well-posed and present numerical results for the convergence behavior of the radial basis function method. As a result, we explore approximating the solution to anisotropic differential equations by solving anisotropic nonlocal integral equations using the radial basis function method.

  12. Functionalized polymers for binding to solutes in aqueous solutions

    DOE Patents [OSTI]

    Smith, Barbara F.; Robison, Thomas W.

    2006-11-21

    A functionalized polymer for binding a dissolved molecule in an aqueous solution is presented. The polymer has a backbone polymer to which one or more functional groups are covalently linked. The backbone polymer can be such polymers as polyethylenimine, polyvinylamine, polyallylamine, and polypropylamine. These polymers are generally water-soluble, but can be insoluble when cross-linked. The functional group can be for example diol derivatives, polyol derivatives, thiol and dithiol derivatives, guest-host groups, affinity groups, beta-diphosphonic acids, and beta-diamides

  13. Sinc function representation and three-loop master diagrams

    SciTech Connect (OSTI)

    Easther, Richard; Guralnik, Gerald; Hahn, Stephen

    2001-04-15

    We test the Sinc function representation, a novel method for numerically evaluating Feynman diagrams, by using it to evaluate the three-loop master diagrams. Analytical results have been obtained for all these diagrams, and we find excellent agreement between our calculations and the exact values. The Sinc function representation converges rapidly, and it is straightforward to obtain accuracies of 1 part in 10{sup 6} for these diagrams and with longer runs we found results better than 1 part in 10{sup 12}. Finally, this paper extends the Sinc function representation to diagrams containing massless propagators.

  14. Computing the hadronic vacuum polarization function by analytic continuation

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

    Feng, Xu; Hashimoto, Shoji; Hotzel, Grit; Jansen, Karl; Petschlies, Marcus; Renner, Dru B.

    2013-08-29

    We propose a method to compute the hadronic vacuum polarization function on the lattice at continuous values of photon momenta bridging between the spacelike and timelike regions. We provide two independent demonstrations to show that this method leads to the desired hadronic vacuum polarization function in Minkowski spacetime. We present with the example of the leading-order QCD correction to the muon anomalous magnetic moment that this approach can provide a valuable alternative method for calculations of physical quantities where the hadronic vacuum polarization function enters.

  15. Reconstruction of local neutron physical functionals in surface harmonics method

    SciTech Connect (OSTI)

    Boyarinov, V. F. Nevinitsa, V. A.

    2010-12-15

    Formulas for reconstruction of local neutron physical functionals for a three-stage calculation of a 2D VVER-1000 core using the surface harmonics method are obtained, implemented in the SUHAM code, and verified.

  16. Overview of Unpolarized Structure Function Measurements at High x

    SciTech Connect (OSTI)

    Holt, Roy J.

    2011-09-21

    A motivation and overview for recent measurements of unpolarized structure functions for the nucleon will be presented. Particular attention will be given to new experiments aimed at providing new high-x data.

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

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

    gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as channels or transporters-are the...

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

    Office of Scientific and Technical Information (OSTI)

    of hindgut microbiota of a wood-feeding higher termite Citation Details In-Document Search Title: Metagenomic and functional analysis of hindgut microbiota of a wood-feeding ...

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

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

    Thermodynamic Complexity of Carbon Capture in Alkylamine-Functionalized Metal-Organic Frameworks Previous Next List D. Wu, T. M. McDonald, Z. Quan, S. V. Ushakov, P. Zhang, J. R....

  20. Alternative Electrostatic Green's Function for a Long Tube

    SciTech Connect (OSTI)

    Barlow, Stephan E.

    2003-11-01

    This note describes an expression for the electrostatic Green's function in a long conducting tube. The expression allows one to readily compute the potentials and fields at and in the vicinity of the singularity where other methods have difficulty.

  1. Alarm guided critical function and success path monitoring

    DOE Patents [OSTI]

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

    1994-01-01

    The use of alarm indication on the overview (IPSO) display to initiate diagnosis of challenges to critical functions or unavailability of success paths, and further alarm-based guidance toward ultimate diagnosis.

  2. Measurement of the optical dielectric function of monolayertransition...

    Office of Scientific and Technical Information (OSTI)

    Measurement of the optical dielectric function of monolayer transition-metal dichalcogenides:MoS2,MoSe2,WS2, andWSe2 This content will become publicly available on November 17,...

  3. Pulmonary function and respiratory symptoms in potash workers

    SciTech Connect (OSTI)

    Graham, B.L.; Dosman, J.A.; Cotton, D.J.; Weisstock, S.R.; Lappi, V.G.; Froh, F.

    1984-03-01

    Over 94% of the workers in each of four Saskatchewan potash mines participated in a respiratory health surveillance program that included a questionnaire and pulmonary function tests. Compared with a nonexposed control group, potash workers had higher prevalences of cough, dyspnea, and chronic bronchitis but better pulmonary function. Prevalences of symptoms and pulmonary function abnormalities were similar among workers at the four mines tested and at the various job locations. Potash dust, diesel fumes, and other air contaminants may have an irritant effect that leads to the increased prevalences of cough and chronic bronchitis. Although no adverse effects of the potash mine environment on pulmonary function were found, these findings reflect a healthy worker effect or some selection process that makes the potash workers appear healthier in a cross-sectional study.

  4. Pulmonary function and respiratory symptoms in potash workers

    SciTech Connect (OSTI)

    Graham, B.L.; Dosman, J.A.; Cotton, D.J.; Weisstock, S.R.; Lappi, V.G.; Froh, F.

    1984-03-01

    Over 94% of the workers in each of four Saskatchewan potash mines participated in a respiratory health surveillance program that included a questionnaire and pulmonary function tests. Compared with a nonexposed control group, potash workers had higher prevalences of cough, dyspnea, and chronic bronchitis but better pulmonary function. Prevalences of symptoms and pulmonary function abnormalities were similar among workers at the four mines tested and at the various job locations. Potash dust, diesel fumes, and other air contaminants may have an irritant effect that leads to the increased prevalences of cough and chronic bronchitis. Although we found no adverse effects of the potash mine environment on pulmonary function, these findings reflect a healthy worker effect or some selection process that makes the potash workers appear healthier in a cross-sectional study.

  5. Assembling Appliances Standards from a Basket of Functions

    SciTech Connect (OSTI)

    Siderious, Hans-Paul; Meier, Alan

    2014-08-11

    Rapid innovation in product design challenges the current methodology for setting standards and labels, especially for electronics, software and networking. Major problems include defining the product, measuring its energy consumption, and choosing the appropriate metric and level for the standard. Most governments have tried to solve these problems by defining ever more specific product subcategories, along with their corresponding test methods and metrics. An alternative approach would treat each energy-using product as something that delivers a basket of functions. Then separate standards would be constructed for the individual functions that can be defined, tested, and evaluated. Case studies of thermostats, displays and network equipment are presented to illustrate the problems with the classical approach for setting standards and indicate the merits and drawbacks of the alternative. The functional approach appears best suited to products whose primary purpose is processing information and that have multiple functions.

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

    Office of Scientific and Technical Information (OSTI)

    The silver-functionalized Aerogel appears to have potential to be a very effective and efficient iodine sorbent. Authors: Nick Soelberg ; Tony Watson Publication Date: 2012-06-01 ...

  7. Two Studies Reveal Details of Lithium-Battery Function

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

    Two Studies Reveal Details of Lithium-Battery Function Two Studies Reveal Details of Lithium-Battery Function Print Wednesday, 27 February 2013 00:00 Our way of life is deeply intertwined with battery technologies that have enabled a mobile revolution powering cell phones, laptops, medical devices, and cars. As conventional lithium-ion batteries approach their theoretical energy-storage limits, new technologies are emerging to address the long-term energy-storage improvements needed for mobile

  8. Structures for Three Membrane Transport Proteins Yield Functional Insights

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

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  9. Structures for Three Membrane Transport Proteins Yield Functional Insights

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

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  10. Structures for Three Membrane Transport Proteins Yield Functional Insights

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

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  11. Structures for Three Membrane Transport Proteins Yield Functional Insights

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

    Structures for Three Membrane Transport Proteins Yield Functional Insights Structures for Three Membrane Transport Proteins Yield Functional Insights Print Wednesday, 27 January 2010 00:00 Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is

  12. Structures for Three Membrane Transport Proteins Yield Functional Insights

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

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  13. Probabilistic Density Function Method for Stochastic ODEs of Power Systems

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

    with Uncertain Power Input | Argonne National Laboratory Probabilistic Density Function Method for Stochastic ODEs of Power Systems with Uncertain Power Input Title Probabilistic Density Function Method for Stochastic ODEs of Power Systems with Uncertain Power Input Publication Type Journal Article Year of Publication 2015 Authors Wang, P, Barajas-Solano, DA, Constantinescu, EM, Abhyankar, S, Ghosh, D, Smith, BF, Huang, Z, Tartakovsky, AM Journal SIAM/ASA Journal on Uncertainty

  14. Pulse Thermal Processing of Functional Materials Using a Directed Plasma

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

    Arc - Energy Innovation Portal Early Stage R&D Early Stage R&D Advanced Materials Advanced Materials Find More Like This Return to Search Pulse Thermal Processing of Functional Materials Using a Directed Plasma Arc Oak Ridge National Laboratory Contact ORNL About This Technology Technology Marketing SummaryUsing pulses of high density infrared light from a directed plasma arc, ORNL researchers invented a method to thermally process thin films and other functional materials on

  15. Anatomic and Functional Imaging of Tagged Molecules in Animals - Energy

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

    Innovation Portal Anatomic and Functional Imaging of Tagged Molecules in Animals Thomas Jefferson National Accelerator Facility Contact TJNAF About This Technology Technology Marketing SummaryA novel functional imaging system for use in the imaging of unrestrained and non-anesthetized small animals or other subjects and a method for acquiring such images and further registering them with anatomical X-ray images previously or subsequently acquired.DescriptionThe apparatus comprises a

  16. Antibody library project could unlock mysteries of human gene function

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

    Mysteries of human gene function Antibody library project could unlock mysteries of human gene function By looking at antibodies, researchers can identify where, in a cell, genes are active and under what conditions they increase or decrease their expression. October 31, 2011 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy

  17. A Functional Test Platform for the Community Land Model

    SciTech Connect (OSTI)

    Xu, Yang [ORNL] [ORNL; Thornton, Peter E [ORNL] [ORNL; King, Anthony Wayne [ORNL] [ORNL; Steed, Chad A [ORNL] [ORNL; Gu, Lianhong [ORNL] [ORNL; Schuchart, Joseph [ORNL] [ORNL

    2014-01-01

    A functional test platform is presented to create direct linkages between site measurements and the process-based ecosystem model within the Community Earth System Models (CESM). The platform consists of three major parts: 1) interactive user interfaces, 2) functional test model and 3) observational datasets. It provides much needed integration interfaces for both field experimentalists and ecosystem modelers to improve the model s representation of ecosystem processes within the CESM framework without large software overhead.

  18. Modeling Feat Sheds Light on Protein Channel's Function

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

    Modeling Feat Sheds Light on Protein Channel's Function Modeling Feat Sheds Light on Protein Channel's Function November 1, 2012 NERSC Contact: Linda Vu, lvu@lbl.gov, +1 510 495 2402 nerscweb.png The ribosome (red-blue) in complex with the translocon channel (green), which is embedded in the cell membrane (yellow, white). Proteins that are inserted via the ribosome into the channel can either be laterally integrated into the cell membrane or secreted across the cell membrane (inset). (Image

  19. Density Functional Theory with Dissipation: Transport through Single Molecules

    SciTech Connect (OSTI)

    Kieron Burke

    2012-04-30

    A huge amount of fundamental research was performed on this grant. Most of it focussed on fundamental issues of electronic structure calculations of transport through single molecules, using density functional theory. Achievements were: (1) First density functional theory with dissipation; (2) Pseudopotential plane wave calculations with master equation; (3) Weak bias limit; (4) Long-chain conductance; and (5) Self-interaction effects in tunneling.

  20. New parton distribution functions from a global analysis of quantum

    Office of Scientific and Technical Information (OSTI)

    chromodynamics (Journal Article) | SciTech Connect New parton distribution functions from a global analysis of quantum chromodynamics Citation Details In-Document Search This content will become publicly available on February 15, 2017 Title: New parton distribution functions from a global analysis of quantum chromodynamics Authors: Dulat, Sayipjamal ; Hou, Tie-Jiun ; Gao, Jun ; Guzzi, Marco ; Huston, Joey ; Nadolsky, Pavel ; Pumplin, Jon ; Schmidt, Carl ; Stump, Daniel ; Yuan, C.-P.

  1. Poly(ethyleneoxide) functionalization through alkylation (Patent) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Poly(ethyleneoxide) functionalization through alkylation Citation Details In-Document Search Title: Poly(ethyleneoxide) functionalization through alkylation × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information resources in energy science and technology. A paper copy of this document is

  2. Post-Fabrication Placement of Arbitrary Chemical Functionality on

    Office of Scientific and Technical Information (OSTI)

    Microphase-Separated Thin Films of Amine-Reactive Block Copolymers (Journal Article) | SciTech Connect Post-Fabrication Placement of Arbitrary Chemical Functionality on Microphase-Separated Thin Films of Amine-Reactive Block Copolymers Citation Details In-Document Search Title: Post-Fabrication Placement of Arbitrary Chemical Functionality on Microphase-Separated Thin Films of Amine-Reactive Block Copolymers Authors: Speetjens, F.W. ; Carter, M.C.D. ; Kim, M. ; Gopalan, P. ; Mahanthappa,

  3. Renormalization group functional equations (Journal Article) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect group functional equations Citation Details In-Document Search Title: Renormalization group functional equations Authors: Curtright, Thomas L. ; Zachos, Cosmas K. Publication Date: 2011-03-16 OSTI Identifier: 1100055 Type: Publisher's Accepted Manuscript Journal Name: Physical Review D Additional Journal Information: Journal Volume: 83; Journal Issue: 6; Journal ID: ISSN 1550-7998 Publisher: American Physical Society Sponsoring Org: USDOE Country of Publication: United States

  4. Functional and Structural Characterization of Human V3-Specific Monoclonal

    Office of Scientific and Technical Information (OSTI)

    Antibody 2424 with Neutralizing Activity against HIV-1 JRFL (Journal Article) | SciTech Connect Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody 2424 with Neutralizing Activity against HIV-1 JRFL Citation Details In-Document Search Title: Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody 2424 with Neutralizing Activity against HIV-1 JRFL Authors: Kumar, Rajnish ; Pan, Ruimin ; Upadhyay, Chitra ; Mayr, Luzia ; Cohen, Sandra

  5. Isolated Photosystem I Reaction Centers on a Functionalized Gated High

    Office of Scientific and Technical Information (OSTI)

    Electron Mobility Transistor (Journal Article) | SciTech Connect Isolated Photosystem I Reaction Centers on a Functionalized Gated High Electron Mobility Transistor Citation Details In-Document Search Title: Isolated Photosystem I Reaction Centers on a Functionalized Gated High Electron Mobility Transistor In oxygenic plants, photons are captured with high quantum efficiency by two specialized reaction centers (RC) called Photosystem I (PS I) and Photosystem II (PS II). The captured photon

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

    Office of Scientific and Technical Information (OSTI)

    MICROBIAL COMMUNITIES AT ERSP FIELD RESEARCH (Technical Report) | SciTech Connect METAGENOMICS-ENABLED UNDERSTANDING OF THE FUNCTIONS AND ACTIVITIES OF MICROBIAL COMMUNITIES AT ERSP FIELD RESEARCH Citation Details In-Document Search Title: METAGENOMICS-ENABLED UNDERSTANDING OF THE FUNCTIONS AND ACTIVITIES OF MICROBIAL COMMUNITIES AT ERSP FIELD RESEARCH NA Authors: Tiedje, James M. Publication Date: 2014-01-08 OSTI Identifier: 1167554 Report Number(s): NA DOE Contract Number: FG02-07ER64398

  7. Measurement of brachial artery endothelial function using a standard blood

    Office of Scientific and Technical Information (OSTI)

    pressure cuff (Journal Article) | DOE PAGES Publisher's Accepted Manuscript: Measurement of brachial artery endothelial function using a standard blood pressure cuff This content will become publicly available on September 22, 2016 « Prev Next » Title: Measurement of brachial artery endothelial function using a standard blood pressure cuff Authors: Maltz, Jonathan S. ; Tison, Geoffrey H. ; Alley, Hugh F. ; Budinger, Thomas F. ; Owens, Christopher D. ; Olgin, Jeffrey Publication Date:

  8. Methods of electrophoretic deposition for functionally graded porous

    Office of Scientific and Technical Information (OSTI)

    nanostructures and systems thereof (Patent) | SciTech Connect Methods of electrophoretic deposition for functionally graded porous nanostructures and systems thereof Citation Details In-Document Search Title: Methods of electrophoretic deposition for functionally graded porous nanostructures and systems thereof In one embodiment, an aerogel includes a layer of shaped particles having a particle packing density gradient in a thickness direction of the layer, wherein the shaped particles are

  9. Savannah River Site's Liquid Waste Operations Adds Multi-Functional

    Office of Environmental Management (EM)

    Laboratory | Department of Energy Liquid Waste Operations Adds Multi-Functional Laboratory Savannah River Site's Liquid Waste Operations Adds Multi-Functional Laboratory January 28, 2015 - 12:00pm Addthis Laboratory technician Tanja Bolt measures chemicals in the new laboratory at SRS. Laboratory technician Tanja Bolt measures chemicals in the new laboratory at SRS. Construction is under way on Salt Disposal Unit 6, which will be approximately 10 times larger than the site’s current

  10. Structure and Function of Microbial Metal-Reduction Proteins (Other) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Other: Structure and Function of Microbial Metal-Reduction Proteins Citation Details In-Document Search Title: Structure and Function of Microbial Metal-Reduction Proteins In this project, we proposed (i) identification of metal-reduction genes, (ii) development of new threading techniques and (iii) fold recognition and structure prediction of metal-reduction proteins. However, due to the reduction of the budget, we revised our plan to focus on two specific aims of (i)

  11. Complex basis functions revisited: Implementation with applications to

    Office of Scientific and Technical Information (OSTI)

    carbon tetrafluoride and aromatic N-containing heterocycles within the static-exchange approximation (Journal Article) | DOE PAGES Complex basis functions revisited: Implementation with applications to carbon tetrafluoride and aromatic N-containing heterocycles within the static-exchange approximation « Prev Next » Title: Complex basis functions revisited: Implementation with applications to carbon tetrafluoride and aromatic N-containing heterocycles within the static-exchange

  12. Deep Bed Adsorption Testing using Silver-Functionalized Aerogel (Technical

    Office of Scientific and Technical Information (OSTI)

    Report) | SciTech Connect Deep Bed Adsorption Testing using Silver-Functionalized Aerogel Citation Details In-Document Search Title: Deep Bed Adsorption Testing using Silver-Functionalized Aerogel Nuclear fission results in the production of fission products and activation products, some of which tend to be volatile during used fuel reprocessing and evolve in gaseous species into the reprocessing facility off-gas systems. Analyses have shown that I129, due to its radioactivity, high

  13. Description of Induced Nuclear Fission with Skyrme Energy Functionals: II.

    Office of Scientific and Technical Information (OSTI)

    Finite Temperature Effects (Journal Article) | SciTech Connect Journal Article: Description of Induced Nuclear Fission with Skyrme Energy Functionals: II. Finite Temperature Effects Citation Details In-Document Search Title: Description of Induced Nuclear Fission with Skyrme Energy Functionals: II. Finite Temperature Effects Authors: Schunck, N ; Duke, D ; Carr, H Publication Date: 2013-11-06 OSTI Identifier: 1184748 Report Number(s): LLNL-JRNL-645837 DOE Contract Number: DE-AC52-07NA27344

  14. Description of induced nuclear fission with Skyrme energy functionals. II.

    Office of Scientific and Technical Information (OSTI)

    Finite temperature effects (Journal Article) | SciTech Connect functionals. II. Finite temperature effects Citation Details In-Document Search This content will become publicly available on March 24, 2016 Title: Description of induced nuclear fission with Skyrme energy functionals. II. Finite temperature effects Authors: Schunck, N. ; Duke, D. ; Carr, H. Publication Date: 2015-03-25 OSTI Identifier: 1180645 Grant/Contract Number: AC52-07NA27344 Type: Publisher's Accepted Manuscript Journal

  15. Description of induced nuclear fission with Skyrme energy functionals:

    Office of Scientific and Technical Information (OSTI)

    Static potential energy surfaces and fission fragment properties (Journal Article) | SciTech Connect functionals: Static potential energy surfaces and fission fragment properties Citation Details In-Document Search Title: Description of induced nuclear fission with Skyrme energy functionals: Static potential energy surfaces and fission fragment properties Authors: Schunck, N. ; Duke, D. ; Carr, H. ; Knoll, A. Publication Date: 2014-11-06 OSTI Identifier: 1180689 Grant/Contract Number:

  16. Insights into Autoregulation of Notch3 from Structural and Functional

    Office of Scientific and Technical Information (OSTI)

    Studies of Its Negative Regulatory Region (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Insights into Autoregulation of Notch3 from Structural and Functional Studies of Its Negative Regulatory Region Citation Details In-Document Search Title: Insights into Autoregulation of Notch3 from Structural and Functional Studies of Its Negative Regulatory Region Authors: Xu, Xiang ; Choi, Sung Hee ; Hu, Tiancen ; Tiyanont, Kittichoat ; Habets, Roger ; Groot, Arjan

  17. Structure of a PL17 Family Alginate Lyase Demonstrates Functional

    Office of Scientific and Technical Information (OSTI)

    Similarities among Exotype Depolymerases (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Structure of a PL17 Family Alginate Lyase Demonstrates Functional Similarities among Exotype Depolymerases Citation Details In-Document Search Title: Structure of a PL17 Family Alginate Lyase Demonstrates Functional Similarities among Exotype Depolymerases Authors: Park, David ; Jagtap, Sujit ; Nair, Satish K. [1] + Show Author Affiliations (UIUC) Publication Date:

  18. Anomalous dimensions of the double parton fragmentation functions (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Anomalous dimensions of the double parton fragmentation functions Citation Details In-Document Search Title: Anomalous dimensions of the double parton fragmentation functions Authors: Fleming, Sean ; Leibovich, Adam K. ; Mehen, Thomas ; Rothstein, Ira Z. Publication Date: 2013-04-23 OSTI Identifier: 1102128 Type: Publisher's Accepted Manuscript Journal Name: Physical Review D Additional Journal Information: Journal Volume: 87; Journal Issue: 7; Journal ID: ISSN

  19. Azobenzene-Functionalized Metal-Organic Polyhedra for the Optically

    Office of Scientific and Technical Information (OSTI)

    Responsive Capture and Release of Guest Molecules (Journal Article) | SciTech Connect Azobenzene-Functionalized Metal-Organic Polyhedra for the Optically Responsive Capture and Release of Guest Molecules Citation Details In-Document Search Title: Azobenzene-Functionalized Metal-Organic Polyhedra for the Optically Responsive Capture and Release of Guest Molecules Authors: Park, Jinhee ; Sun, Lin-Bing ; Chen, Ying-Pin ; Perry, Zachary ; Zhou, Hong-Cai Publication Date: 2014-05-06 OSTI

  20. BUILDING A UNIVERSAL NUCLEAR ENERGY DENSITY FUNCTIONAL (UNEDF) (Technical

    Office of Scientific and Technical Information (OSTI)

    Report) | SciTech Connect BUILDING A UNIVERSAL NUCLEAR ENERGY DENSITY FUNCTIONAL (UNEDF) Citation Details In-Document Search Title: BUILDING A UNIVERSAL NUCLEAR ENERGY DENSITY FUNCTIONAL (UNEDF) The long-term vision initiated with UNEDF is to arrive at a comprehensive, quantitative, and unified description of nuclei and their reactions, grounded in the fundamental interactions between the constituent nucleons. We seek to replace current phenomenological models of nuclear structure and

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

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

    Constricting the Nuclear Pore From Protein Structure to Function: Ring Cycle for Dilating and Constricting the Nuclear Pore From Protein Structure to Function: Ring Cycle for Dilating and Constricting the Nuclear Pore Print Wednesday, 28 August 2013 00:00 Nuclear pore complexes (NPCs) act as the central gatekeepers for selective transport between the cytoplasm and the nucleus. They allow the exchange of selected proteins and ribonucleoproteins, while preventing the transport of material not

  2. Center for the Computational Design of Functional Layered Materials (CCDM)

    Office of Science (SC) Website

    | U.S. DOE Office of Science (SC) the Computational Design of Functional Layered Materials (CCDM) Energy Frontier Research Centers (EFRCs) EFRCs Home Centers EFRC External Websites Research Science Highlights News & Events Publications History Contact BES Home Centers Center for the Computational Design of Functional Layered Materials (CCDM) Print Text Size: A A A FeedbackShare Page CCDM Header Director John Perdew Lead Institution Temple University Year Established 2014 Mission To

  3. Preface: Special Topic on Advances in Density Functional Theory

    SciTech Connect (OSTI)

    Yang, Weitao

    2014-05-14

    This Special Topic Issue on the Advances in Density Functional Theory, published as a celebration of the fifty years of density functional theory, contains a retrospective article, a perspective article, and a collection of original research articles that showcase recent theoretical advances in the field. It provides a timely discussion reflecting a cross section of our understanding, and the theoretical and computational developments, which have significant implications in broad areas of sciences and engineering.

  4. Self-Organizing Maps and Parton Distribution Functions

    SciTech Connect (OSTI)

    K. Holcomb, Simonetta Liuti, D. Z. Perry

    2011-05-01

    We present a new method to extract parton distribution functions from high energy experimental data based on a specific type of neural networks, the Self-Organizing Maps. We illustrate the features of our new procedure that are particularly useful for an anaysis directed at extracting generalized parton distributions from data. We show quantitative results of our initial analysis of the parton distribution functions from inclusive deep inelastic scattering.

  5. Multi-time wave functions for quantum field theory

    SciTech Connect (OSTI)

    Petrat, Sören; Tumulka, Roderich

    2014-06-15

    Multi-time wave functions such as ?(t{sub 1},x{sub 1},…,t{sub N},x{sub N}) have one time variable t{sub j} for each particle. This type of wave function arises as a relativistic generalization of the wave function ?(t,x{sub 1},…,x{sub N}) of non-relativistic quantum mechanics. We show here how a quantum field theory can be formulated in terms of multi-time wave functions. We mainly consider a particular quantum field theory that features particle creation and annihilation. Starting from the particle–position representation of state vectors in Fock space, we introduce multi-time wave functions with a variable number of time variables, set up multi-time evolution equations, and show that they are consistent. Moreover, we discuss the relation of the multi-time wave function to two other representations, the Tomonaga–Schwinger representation and the Heisenberg picture in terms of operator-valued fields on space–time. In a certain sense and under natural assumptions, we find that all three representations are equivalent; yet, we point out that the multi-time formulation has several technical and conceptual advantages. -- Highlights: •Multi-time wave functions are manifestly Lorentz-covariant objects. •We develop consistent multi-time equations with interaction for quantum field theory. •We discuss in detail a particular model with particle creation and annihilation. •We show how multi-time wave functions are related to the Tomonaga–Schwinger approach. •We show that they have a simple representation in terms of operator valued fields.

  6. Dual Functional Cathode Additives for Battery Technologies - Energy

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

    Innovation Portal Advanced Materials Advanced Materials Find More Like This Return to Search Dual Functional Cathode Additives for Battery Technologies Brookhaven National Laboratory Contact BNL About This Technology <br type="_moz" /> Schematic demonstrating the cell reactions of an anode less lithium-sulfur cell with a dual functional cathode additive (here a metal sulfide cathode additive). Schematic demonstrating the cell reactions of an anode less lithium-sulfur cell

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

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

    Gas Adsorption in Multivariate Metal-Organic Framework-177 | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Introduction of Functionality, Selection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal-Organic Framework-177 Previous Next List Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; and Yaghi, Omar M., Introduction of Functionality,

  8. Functionality of Commercial NOx Storage-Reduction Catalysts and the

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

    Development of a Representative Model | Department of Energy Functionality of Commercial NOx Storage-Reduction Catalysts and the Development of a Representative Model Functionality of Commercial NOx Storage-Reduction Catalysts and the Development of a Representative Model Presentation given at the 16th Directions in Engine-Efficiency and Emissions Research (DEER) Conference in Detroit, MI, September 27-30, 2010. PDF icon deer10_toops1.pdf More Documents & Publications Pre-Competitive

  9. Sequential Linker Installation: Precise Placement of Functional Groups in

    Office of Scientific and Technical Information (OSTI)

    Multivariate Metal-Organic Frameworks (Journal Article) | SciTech Connect Sequential Linker Installation: Precise Placement of Functional Groups in Multivariate Metal-Organic Frameworks Citation Details In-Document Search Title: Sequential Linker Installation: Precise Placement of Functional Groups in Multivariate Metal-Organic Frameworks Authors: Yuan, Shuai ; Lu, Weigang ; Chen, Ying-Pin ; Zhang, Qiang ; Liu, Tian-Fu ; Feng, Dawei ; Wang, Xuan ; Qin, Junsheng ; Zhou, Hong-Cai Publication

  10. Structural and Functional Basis for Inhibition of Erythrocyte Invasion by

    Office of Scientific and Technical Information (OSTI)

    Antibodies that Target Plasmodium falciparum EBA-175 (Journal Article) | SciTech Connect Journal Article: Structural and Functional Basis for Inhibition of Erythrocyte Invasion by Antibodies that Target Plasmodium falciparum EBA-175 Citation Details In-Document Search Title: Structural and Functional Basis for Inhibition of Erythrocyte Invasion by Antibodies that Target Plasmodium falciparum EBA-175 Authors: Chen, Edwin ; Paing, May M. ; Salinas, Nichole ; Sim, B. Kim Lee ; Tolia, Niraj H.

  11. Structural and functional analysis of FIP2 binding to the

    Office of Scientific and Technical Information (OSTI)

    endosome-localised Rab25 GTPase (Journal Article) | SciTech Connect Journal Article: Structural and functional analysis of FIP2 binding to the endosome-localised Rab25 GTPase Citation Details In-Document Search Title: Structural and functional analysis of FIP2 binding to the endosome-localised Rab25 GTPase Authors: Lall, Patrick ; Horgan, Conor P. ; Oda, Shunichiro ; Franklin, Edward ; Sultana, Azmiri ; Hanscom, Sara R. ; McCaffrey, Mary W. ; Khan, Amir R. [1] ; Cork) [2] + Show Author

  12. Structure and Function of Microbial Metal-Reduction Proteins (Other) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Other: Structure and Function of Microbial Metal-Reduction Proteins Citation Details In-Document Search Title: Structure and Function of Microbial Metal-Reduction Proteins In this project, we proposed (i) identification of metal-reduction genes, (ii) development of new threading techniques and (iii) fold recognition and structure prediction of metal-reduction proteins. However, due to the reduction of the budget, we revised our plan to focus on two specific aims of (i)

  13. Universal Nuclear Energy Density Functional (Technical Report) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Universal Nuclear Energy Density Functional Citation Details In-Document Search Title: Universal Nuclear Energy Density Functional An understanding of the properties of atomic nuclei is crucial for a complete nuclear theory, for element formation, for properties of stars, and for present and future energy and defense applications. During the period of Dec. 1 2006 - Jun. 30, 2012, the UNEDF collaboration carried out a comprehensive study of all nuclei, based on the most accurate

  14. Microsoft Word - SEC J_Appendix M - Functional Activity Def

    National Nuclear Security Administration (NNSA)

    M, Page 1 SECTION J APPENDIX M U. S. DEPARTMENT OF ENERGY FUNCTIONAL ACTIVITY DEFINITIONS Support Cost by Functional Activity (SCFA) Report Introduction Prior to fiscal year 1997, Department-wide support cost data showing the nature of, amount of, and trends in these costs were not available. Recognizing the importance of managing these costs, and receiving requests from Congress and the GAO, the Department's Chief Financial Officer implemented the SCFA System. In implementing the SCFA to track

  15. Stiffness and strength of oxygen-functionalized graphene with vacancies

    SciTech Connect (OSTI)

    Zandiatashbar, A.; Ban, E.; Picu, R. C.

    2014-11-14

    The 2D elastic modulus (E{sup 2D}) and strength (?{sup 2D}) of defective graphene sheets containing vacancies, epoxide, and hydroxyl functional groups are evaluated at 300?K by atomistic simulations. The fraction of vacancies is controlled in the range 0% to 5%, while the density of functional groups corresponds to O:C ratios in the range 0% to 25%. In-plane modulus and strength diagrams as functions of vacancy and functional group densities are generated using models with a single type of defect and with combinations of two types of defects (vacancies and functional groups). It is observed that in models containing only vacancies, the rate at which strength decreases with increasing the concentration of defects is largest, followed by models containing only epoxide groups and those with only hydroxyl groups. The effect on modulus of vacancies and epoxides present alone in the model is similar, and much stronger than that of hydroxyl groups. When the concentration of defects is large, the combined effect of the functional groups and vacancies cannot be obtained as the superposition of individual effects of the two types of defects. The elastic modulus deteriorates faster (slower) than predicted by superposition in systems containing vacancies and hydroxyl groups (vacancies and epoxide groups)

  16. Anatomic and functional imaging of tagged molecules in animals

    DOE Patents [OSTI]

    Weisenberger, Andrew G. (Yorktown, VA); Majewski, Stanislaw (Grafton, VA); Paulus, Michael J. (Knoxville, TN); Gleason, Shaun S. (Knoxville, VA)

    2007-04-24

    A novel functional imaging system for use in the imaging of unrestrained and non-anesthetized small animals or other subjects and a method for acquiring such images and further registering them with anatomical X-ray images previously or subsequently acquired. The apparatus comprises a combination of an IR laser profilometry system and gamma, PET and/or SPECT, imaging system, all mounted on a rotating gantry, that permits simultaneous acquisition of positional and orientational information and functional images of an unrestrained subject that are registered, i.e. integrated, using image processing software to produce a functional image of the subject without the use of restraints or anesthesia. The functional image thus obtained can be registered with a previously or subsequently obtained X-ray CT image of the subject. The use of the system described herein permits functional imaging of a subject in an unrestrained/non-anesthetized condition thereby reducing the stress on the subject and eliminating any potential interference with the functional testing that such stress might induce.

  17. Luminosity Function of Faint Globular Clusters in M87

    SciTech Connect (OSTI)

    Waters, Christopher Z.; Zepf, Stephen E.; Lauer, Tod R.; Baltz, Edward A.; Silk, Joseph; /Oxford U.

    2006-07-14

    We present the luminosity function to very faint magnitudes for the globular clusters in M87, based on a 30 orbit Hubble Space Telescope (HST) WFPC2 imaging program. The very deep images and corresponding improved false source rejection allow us to probe the mass function further beyond the turnover than has been done before. We compare our luminosity function to those that have been observed in the past, and confirm the similarity of the turnover luminosity between M87 and the Milky Way. We also find with high statistical significance that the M87 luminosity function is broader than that of the Milky Way. We discuss how determining the mass function of the cluster system to low masses can constrain theoretical models of the dynamical evolution of globular cluster systems. Our mass function is consistent with the dependence of mass loss on the initial cluster mass given by classical evaporation, and somewhat inconsistent with newer proposals that have a shallower mass dependence. In addition, the rate of mass loss is consistent with standard evaporation models, and not with the much higher rates proposed by some recent studies of very young cluster systems. We also find that the mass-size relation has very little slope, indicating that there is almost no increase in the size of a cluster with increasing mass.

  18. Sexual Function in Males After Radiotherapy for Rectal Cancer

    SciTech Connect (OSTI)

    Bruheim, Kjersti, E-mail: Kjersti.bruheim@medisin.uio.n [Oslo University Hospital, Ulleval Cancer Centre, Oslo (Norway); Guren, Marianne G. [Oslo University Hospital, Ulleval Cancer Centre, Oslo (Norway); Dahl, Alv A. [Oslo University Hospital, Department of Clinical Cancer Research, the Norwegian Radium Hospital, Oslo (Norway); Faculty of Medicine, University of Oslo, Oslo (Norway); Skovlund, Eva [School of Pharmacy, University of Oslo, Oslo (Norway); Balteskard, Lise [University Hospital of Northern Norway, Tromso (Norway); Carlsen, Erik [Oslo University Hospital, Department of Gastrointestinal Surgery, Ulleval, Oslo (Norway); Fossa, Sophie D. [Oslo University Hospital, Department of Clinical Cancer Research, the Norwegian Radium Hospital, Oslo (Norway); Faculty of Medicine, University of Oslo, Oslo (Norway); Tveit, Kjell Magne [Oslo University Hospital, Ulleval Cancer Centre, Oslo (Norway); Faculty of Medicine, University of Oslo, Oslo (Norway)

    2010-03-15

    Purpose: Knowledge of sexual problems after pre- or postoperative radiotherapy (RT) with 50 Gy for rectal cancer is limited. In this study, we aimed to compare self-rated sexual functioning in irradiated (RT+) and nonirradiated (RT-) male patients at least 2 years after surgery for rectal cancer. Methods and Materials: Patients diagnosed with rectal cancer from 1993 to 2003 were identified from the Norwegian Rectal Cancer Registry. Male patients without recurrence at the time of the study. The International Index of Erectile Function, a self-rated instrument, was used to assess sexual functioning, and serum levels of serum testosterone were measured. Results: Questionnaires were returned from 241 patients a median of 4.5 years after surgery. The median age was 67 years at survey. RT+ patients (n = 108) had significantly poorer scores for erectile function, orgasmic function, intercourse satisfaction, and overall satisfaction with sex life compared with RT- patients (n = 133). In multiple age-adjusted analysis, the odds ratio for moderate-severe erectile dysfunction in RT+ patients was 7.3 compared with RT- patients (p <0.001). Furthermore, erectile dysfunction of this degree was associated with low serum testosterone (p = 0.01). Conclusion: RT for rectal cancer is associated with significant long-term effects on sexual function in males.

  19. Application of Surface Analysis Methods to Nanomaterials: Summaryof ISO/TC 201 Technical Report: ISO 14187:2011 -Surface Chemical Analysis- Characterization of Nanomaterials

    SciTech Connect (OSTI)

    Baer, Donald R.

    2012-09-01

    ISO Technical Report (TR) 14187 provides an introduction to (and examples of) the information that can be obtained about nanostructured materials using surface-analysis tools. In addition, both general issues and challenges associated with characterising nanostructured materials and the specific opportunities and challenges associated with individual analytical methods are identified. As the size of objects or components of materials approaches a few nanometres, the distinctions among 'bulk', 'surface' and 'particle' analysis blur. This Technical Report focuses on issues specifically relevant to surface chemical analysis of nanostructured materials. The report considers a variety of analysis methods but focuses on techniques that are in the domain of ISO/TC 201 including Auger electron spectroscopy, X-ray photoelectron spectroscopy, secondary ion mass spectrometry, and scanning probe microscopy. Measurements of nanoparticle surface properties such as surface potential that are often made in a solution are not discussed.

  20. Computational aspects of the continuum quaternionic wave functions for hydrogen

    SciTech Connect (OSTI)

    Morais, J.

    2014-10-15

    Over the past few years considerable attention has been given to the role played by the Hydrogen Continuum Wave Functions (HCWFs) in quantum theory. The HCWFs arise via the method of separation of variables for the time-independent Schrödinger equation in spherical coordinates. The HCWFs are composed of products of a radial part involving associated Laguerre polynomials multiplied by exponential factors and an angular part that is the spherical harmonics. In the present paper we introduce the continuum wave functions for hydrogen within quaternionic analysis ((R)QHCWFs), a result which is not available in the existing literature. In particular, the underlying functions are of three real variables and take on either values in the reduced and full quaternions (identified, respectively, with R{sup 3} and R{sup 4}). We prove that the (R)QHCWFs are orthonormal to one another. The representation of these functions in terms of the HCWFs are explicitly given, from which several recurrence formulae for fast computer implementations can be derived. A summary of fundamental properties and further computation of the hydrogen-like atom transforms of the (R)QHCWFs are also discussed. We address all the above and explore some basic facts of the arising quaternionic function theory. As an application, we provide the reader with plot simulations that demonstrate the effectiveness of our approach. (R)QHCWFs are new in the literature and have some consequences that are now under investigation.

  1. Process management using component thermal-hydraulic function classes

    DOE Patents [OSTI]

    Morman, J.A.; Wei, T.Y.C.; Reifman, J.

    1999-07-27

    A process management expert system where following malfunctioning of a component, such as a pump, for determining system realignment procedures such as for by-passing the malfunctioning component with on-line speeds to maintain operation of the process at full or partial capacity or to provide safe shut down of the system while isolating the malfunctioning component. The expert system uses thermal-hydraulic function classes at the component level for analyzing unanticipated as well as anticipated component malfunctions to provide recommended sequences of operator actions. Each component is classified according to its thermal-hydraulic function, and the generic and component-specific characteristics for that function. Using the diagnosis of the malfunctioning component and its thermal hydraulic class, the expert system analysis is carried out using generic thermal-hydraulic first principles. One aspect of the invention employs a qualitative physics-based forward search directed primarily downstream from the malfunctioning component in combination with a subsequent backward search directed primarily upstream from the serviced component. Generic classes of components are defined in the knowledge base according to the three thermal-hydraulic functions of mass, momentum and energy transfer and are used to determine possible realignment of component configurations in response to thermal-hydraulic function imbalance caused by the malfunctioning component. Each realignment to a new configuration produces the accompanying sequence of recommended operator actions. All possible new configurations are examined and a prioritized list of acceptable solutions is produced. 5 figs.

  2. Process management using component thermal-hydraulic function classes

    DOE Patents [OSTI]

    Morman, James A.; Wei, Thomas Y. C.; Reifman, Jaques

    1999-01-01

    A process management expert system where following malfunctioning of a component, such as a pump, for determining system realignment procedures such as for by-passing the malfunctioning component with on-line speeds to maintain operation of the process at full or partial capacity or to provide safe shut down of the system while isolating the malfunctioning component. The expert system uses thermal-hydraulic function classes at the component level for analyzing unanticipated as well as anticipated component malfunctions to provide recommended sequences of operator actions. Each component is classified according to its thermal-hydraulic function, and the generic and component-specific characteristics for that function. Using the diagnosis of the malfunctioning component and its thermal hydraulic class, the expert system analysis is carried out using generic thermal-hydraulic first principles. One aspect of the invention employs a qualitative physics-based forward search directed primarily downstream from the malfunctioning component in combination with a subsequent backward search directed primarily upstream from the serviced component. Generic classes of components are defined in the knowledge base according to the three thermal-hydraulic functions of mass, momentum and energy transfer and are used to determine possible realignment of component configurations in response to thermal-hydraulic function imbalance caused by the malfunctioning component. Each realignment to a new configuration produces the accompanying sequence of recommended operator actions. All possible new configurations are examined and a prioritized list of acceptable solutions is produced.

  3. Patterned functional arrays by selective de-wetting

    SciTech Connect (OSTI)

    FAN,HONGYOU; DOSHI,DHAVAL; LU,YUNFENG; BRINKER,C. JEFFREY

    2000-05-11

    Using a micro-Contact Printing ({mu}-CP) technique, substrates are prepared with patterns of hydrophilic, hydroxyl-terminated SAMS and hydrophobic methyl-terminated SAMS. Beginning with a homogeneous solution of silica, surfactant, ethanol, water, and functional silane, preferential ethanol evaporation during dip-coating, causes water enrichment and selective de-wetting of the hydrophobic SAMS. Correspondingly, film deposition occurs exclusively on the patterned hydrophilic SAMS. In addition, by co-condensation of tetrafunctional silanes (Si(OR){sub 4}) with tri-functional organosilanes ((RO){sub 3}Si(CH{sub 2}){sub 3}NH{sub 2}), the authors have selectively derived the silica framework with functional amine NH{sub 2} groups. A pH sensitive, micro-fluidic system was formed by further conjugation reactions with pH sensitive dye molecules.

  4. Determining protein function and interaction from genome analysis

    DOE Patents [OSTI]

    Eisenberg, David; Marcotte, Edward M.; Thompson, Michael J.; Pellegrini, Matteo; Yeates, Todd O.

    2004-08-03

    A computational method system, and computer program are provided for inferring functional links from genome sequences. One method is based on the observation that some pairs of proteins A' and B' have homologs in another organism fused into a single protein chain AB. A trans-genome comparison of sequences can reveal these AB sequences, which are Rosetta Stone sequences because they decipher an interaction between A' and B. Another method compares the genomic sequence of two or more organisms to create a phylogenetic profile for each protein indicating its presence or absence across all the genomes. The profile provides information regarding functional links between different families of proteins. In yet another method a combination of the above two methods is used to predict functional links.

  5. Assigning protein functions by comparative genome analysis protein phylogenetic profiles

    DOE Patents [OSTI]

    Pellegrini, Matteo; Marcotte, Edward M.; Thompson, Michael J.; Eisenberg, David; Grothe, Robert; Yeates, Todd O.

    2003-05-13

    A computational method system, and computer program are provided for inferring functional links from genome sequences. One method is based on the observation that some pairs of proteins A' and B' have homologs in another organism fused into a single protein chain AB. A trans-genome comparison of sequences can reveal these AB sequences, which are Rosetta Stone sequences because they decipher an interaction between A' and B. Another method compares the genomic sequence of two or more organisms to create a phylogenetic profile for each protein indicating its presence or absence across all the genomes. The profile provides information regarding functional links between different families of proteins. In yet another method a combination of the above two methods is used to predict functional links.

  6. Systems and methods for producing low work function electrodes

    DOE Patents [OSTI]

    Kippelen, Bernard; Fuentes-Hernandez, Canek; Zhou, Yinhua; Kahn, Antoine; Meyer, Jens; Shim, Jae Won; Marder, Seth R.

    2015-07-07

    According to an exemplary embodiment of the invention, systems and methods are provided for producing low work function electrodes. According to an exemplary embodiment, a method is provided for reducing a work function of an electrode. The method includes applying, to at least a portion of the electrode, a solution comprising a Lewis basic oligomer or polymer; and based at least in part on applying the solution, forming an ultra-thin layer on a surface of the electrode, wherein the ultra-thin layer reduces the work function associated with the electrode by greater than 0.5 eV. According to another exemplary embodiment of the invention, a device is provided. The device includes a semiconductor; at least one electrode disposed adjacent to the semiconductor and configured to transport electrons in or out of the semiconductor.

  7. Spin projection with double hybrid density functional theory

    SciTech Connect (OSTI)

    Thompson, Lee M.; Hratchian, Hrant P.

    2014-07-21

    A spin projected double-hybrid density functional theory is presented that accounts for different scaling of opposite and same spin terms in the second order correction. This method is applied to three dissociation reactions which in the unprojected formalism exhibit significant spin contamination with higher spin states. This gives rise to a distorted potential surface and can lead to poor geometries and energies. The projected method presented is shown to improve the description of the potential over unprojected double hybrid density functional theory. Comparison is made with the reference states of the two double hybrid functionals considered here (B2PLYP and mPW2PLYP) in which the projected potential surface is degraded by an imbalance in the description of dynamic and static correlation.

  8. Quadrature formulae for classes of functions of low smoothness

    SciTech Connect (OSTI)

    Nursultanov, E D; Tleukhanova, N T

    2003-10-31

    For Sobolev and Korobov spaces of functions of several variables a quadrature formula with explicitly defined coefficients and nodes is constructed. This formula is precise for trigonometric polynomials with harmonics from the corresponding step hyperbolic cross. The error of the quadrature formula in the classes W{sup {alpha}}{sub p}[0,1]{sup n}, E{sup {alpha}}[0,1]{sup n} is o((ln M){sup {beta}}/M{sup {alpha}}), where M is the number of nodes and {beta} is a parameter depending on the class. The problem of the approximate calculation of multiple integrals for functions in W{sup {alpha}}{sub p}[0,1]{sup n} is considered in the case when this class does not lie in the space of continuous functions, that is, for {alpha}{<=}1/p.

  9. Gauge-invariant Green function dynamics: A unified approach

    SciTech Connect (OSTI)

    Swiecicki, Sylvia D. Sipe, J.E.

    2013-11-15

    We present a gauge-invariant description of Green function dynamics introduced by means of a generalized Peirels phase involving an arbitrary differentiable path in space–time. Two other approaches to formulating a gauge-invariant description of systems, the Green function treatment of Levanda and Fleurov [M. Levanda, V. Fleurov, J. Phys.: Condens. Matter 6 (1994) 7889] and the usual multipolar expansion for an atom, are shown to arise as special cases of our formalism. We argue that the consideration of paths in the generalized Peirels phase that do not lead to introduction of an effective gauge-invariant Hamiltonian with polarization and magnetization fields may prove useful for the treatment of the response of materials with short electron correlation lengths. -- Highlights: •Peirels phase for an arbitrary path in space–time established. •Gauge-invariant Green functions and the Power–Zienau–Wooley transformation connected. •Limitations on possible polarization and magnetization fields established.

  10. Selective functionalization of the mesopores of SBA-15

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

    Webb, Jonathan D.; Seki, Tomohiro; Goldston, Jennifer F.; Pruski, Marek; Crudden, Cathleen M.

    2014-10-23

    In this study, a method has been developed that permits the highly selective functionalization of the interior and exterior surfaces of the ubiquitous mesoporous material, SBA-15. The key step is reloading the as-synthesized material with structure-directing agent, Pluronic® P123, prior to selective functionalization of the external surface with a silylating agent. This new approach represents a significant improvement over literature procedures. Results from physisorption analyses as well as solid-state NMR permit a detailed, quantitative assessment of functionalized SBA-15. This work also provides insight into the stability of the silyl layer during extraction procedures – an issue often neglected in othermore » studies but of significant importance as decomposition of this layer could result in the introduction of new silanols and reduce the effectiveness of any selective grafting procedure.« less

  11. Uncertainty of silicon 1-MeV damage function

    SciTech Connect (OSTI)

    Danjaji, M.B.; Griffin, P.J.

    1997-02-01

    The electronics radiation hardness-testing community uses the ASTM E722-93 Standard Practice to define the energy dependence of the nonionizing neutron damage to silicon semiconductors. This neutron displacement damage response function is defined to be equal to the silicon displacement kerma as calculated from the ORNL Si cross-section evaluation. Experimental work has shown that observed damage ratios at various test facilities agree with the defined response function to within 5%. Here, a covariance matrix for the silicon 1-MeV neutron displacement damage function is developed. This uncertainty data will support the electronic radiation hardness-testing community and will permit silicon displacement damage sensors to be used in least squares spectrum adjustment codes.

  12. Quark mass functions and pion structure in Minkowski space

    SciTech Connect (OSTI)

    Biernat, Elmer P.; Gross, Franz L.; Pena, Maria Teresa; Stadler, Alfred

    2014-03-01

    We present a study of the dressed quark mass function and the pion structure in Minkowski space using the Covariant Spectator Theory (CST). The quark propagators are dressed with the same kernel that describes the interaction between different quarks. We use an interaction kernel in momentum space that is a relativistic generalization of the linear confining q-qbar potential and a constant potential shift that defines the energy scale. The confining interaction has a Lorentz scalar part that is not chirally invariant by itself but decouples from the equations in the chiral limit and therefore allows the Nambu--Jona-Lasinio (NJL) mechanism to work. We adjust the parameters of our quark mass function calculated in Minkowski-space to agree with LQCD data obtained in Euclidean space. Results of a calculation of the pion electromagnetic form factor in the relativistic impulse approximation using the same mass function are presented and compared with experimental data.

  13. How to Solve Schroedinger Problems by Approximating the Potential Function

    SciTech Connect (OSTI)

    Ledoux, Veerle; Van Daele, Marnix

    2010-09-30

    We give a survey over the efforts in the direction of solving the Schroedinger equation by using piecewise approximations of the potential function. Two types of approximating potentials have been considered in the literature, that is piecewise constant and piecewise linear functions. For polynomials of higher degree the approximating problem is not so easy to integrate analytically. This obstacle can be circumvented by using a perturbative approach to construct the solution of the approximating problem, leading to the so-called piecewise perturbation methods (PPM). We discuss the construction of a PPM in its most convenient form for applications and show that different PPM versions (CPM,LPM) are in fact equivalent.

  14. Functionalized apertures for the detection of chemical and biological materials

    DOE Patents [OSTI]

    Letant, Sonia E. (Livermore, CA); van Buuren, Anthony W. (Livermore, CA); Terminello, Louis J. (Danville, CA); Thelen, Michael P. (Danville, CA); Hope-Weeks, Louisa J. (Brentwood, CA); Hart, Bradley R. (Brentwood, CA)

    2010-12-14

    Disclosed are nanometer to micron scale functionalized apertures constructed on a substrate made of glass, carbon, semiconductors or polymeric materials that allow for the real time detection of biological materials or chemical moieties. Many apertures can exist on one substrate allowing for the simultaneous detection of numerous chemical and biological molecules. One embodiment features a macrocyclic ring attached to cross-linkers, wherein the macrocyclic ring has a biological or chemical probe extending through the aperture. Another embodiment achieves functionalization by attaching chemical or biological anchors directly to the walls of the apertures via cross-linkers.

  15. Tri-functional cannula for retinal endovascular surgery

    DOE Patents [OSTI]

    Weiss, Jonathan D. (Albuquerque, NM)

    2010-07-27

    A tri-functional cannula combines the functions of tissue Plasminogen Activator (tPA) solution delivery, illumination and venous pressure measurement. The cannula utilizes a tapered hollow-core optical fiber having an inlet for tPA solution, an attached fiber optic splitter configured to receive illumination light from an optical source such and a LED. A window in the cannula transmits the light to and from a central retinal vein. The return light is coupled to an optical detector to measure the pressure within the vein and determine whether an occlusion has been removed.

  16. Executing application function calls in response to an interrupt

    DOE Patents [OSTI]

    Almasi, Gheorghe; Archer, Charles J.; Giampapa, Mark E.; Gooding, Thomas M.; Heidelberger, Philip; Parker, Jeffrey J.

    2010-05-11

    Executing application function calls in response to an interrupt including creating a thread; receiving an interrupt having an interrupt type; determining whether a value of a semaphore represents that interrupts are disabled; if the value of the semaphore represents that interrupts are not disabled: calling, by the thread, one or more preconfigured functions in dependence upon the interrupt type of the interrupt; yielding the thread; and if the value of the semaphore represents that interrupts are disabled: setting the value of the semaphore to represent to a kernel that interrupts are hard-disabled; and hard-disabling interrupts at the kernel.

  17. Lithium niobate single-crystal and photo-functional device

    DOE Patents [OSTI]

    Gopalan, Venkatraman (State College, PA); Mitchell, Terrence E. (Los Alamos, NM); Kitamura, Kenji (Tsukuba, JP); Furukawa, Yasunori (Tsukuba, JP)

    2001-01-01

    Provided are lithium niobate single-crystal that requires a low voltage of not larger than 10 kV/nm for its ferroelectric polarization inversion and of which the polarization can be periodically inverted with accuracy even at such a low voltage, and a photo-functional device comprising the crystal. The crystal has a molar fraction of Li.sub.2 O/(Nb.sub.2 O.sub.5 +Li.sub.2 O) of falling between 0.49 and 0.52. The photo-functional device can convert a laser ray being incident thereon.

  18. Photoluminescence-enhanced biocompatible quantum dots by phospholipid functionalization

    SciTech Connect (OSTI)

    Shi Yunfeng; He Peng Zhu Xinyuan

    2008-10-02

    A simple two-step strategy using phospholipid (PPL) to functionalize core/shell CdSe/ZnS quantum dots (QDs) has been described. The experimental data show that the use of S-H terminated PPL results not only in the high colloidal stability of core/shell CdSe/ZnS QDs in the aqueous phase, but also in the significant enhancement of photoluminescence. The degree of the enhancement is a function of the PPL-CdSe/ZnS QDs sample concentration. These results might be promising for future biological platform in new devices ranging from photovoltaic cells to biosensors and other devices.

  19. Thermal conditions and functional requirements for molten fuel containment

    SciTech Connect (OSTI)

    Kang, C.S.; Torri, A.

    1980-05-01

    This paper discusses the configuration and functional requirements for the molten fuel containment system (MFCS) in the GCFR demonstration plant design. Meltdown conditions following a loss of shutdown cooling (LOSC) accident were studied to define the core debris volume for a realistic meltdown case. Materials and thicknesses of the molten fuel container were defined. Stainless steel was chosen as the sacrificial material and magnesium oxide was chosen as the crucible material. Thermal conditions for an expected quasi-steady state were analyzed. Highlights of the functional requirements which directly affect the MFCS design are discussed.

  20. Comparison of silatrane, phosphonic acid, and carboxylic acid functional

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

    groups for attachment of porphyrin sensitizers to TiO2 in photoelectrochemical cells Comparison of silatrane, phosphonic acid, and carboxylic acid functional groups for attachment of porphyrin sensitizers to TiO2 in photoelectrochemical cells Authors: Brennan, B.J., Llansola Portoles, M.J., Liddell, P.A., Moore, T.A., Moore, A.L., and Gust, D. Title: Comparison of silatrane, phosphonic acid, and carboxylic acid functional groups for attachment of porphyrin sensitizers to TiO2 in