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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. The Center for Functional Nanomaterials at Brookhaven National Lab

    SciTech Connect (OSTI)

    Dickerson, James

    2015-07-09

    Scientists from all over the world visit the Center for Functional Nanomaterials to explore strange phenomena hidden on the nanoscale—an exciting and powerful landscape spanning just billionths of a meter. The U.S. Department of Energy opened the CFN, one of its five nanoscale science research centers in the United States, to develop unprecedented energy technologies and solve fundamental scientific puzzles. Learn more about the CFN: https://www.bnl.gov/cfn/.

  4. Editorial: Functional nanomaterials for energy applications

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

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

    2015-02-16

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

  5. Editorial: Functional nanomaterials for energy applications

    SciTech Connect (OSTI)

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

    2015-02-16

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

  6. 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.

  7. 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.

  8. An overviewFunctional 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.

  9. 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.

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

    SciTech Connect (OSTI)

    Jiao, Tifeng; Yan, Xingbin; Balan, Lavinia; Stepanov, Andrey; Chen, Xinqing; Hu, Michael Z.

    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.

  11. Self Assembly for Nanostructured Electronic Devices at the Center...

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

    Charles Black Center for Functional Nanomaterials, Brookhaven National Laboratory BlackChuckD0331112 abstract: The Center for Functional Nanomaterials (CFN) at Brookhaven ...

  12. 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.

  13. Sustainable Nanomaterials Industry Perspective

    Broader source: Energy.gov [DOE]

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

  14. 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

  15. Sustainable Nanomaterials from Forest Products: Umaine Perspective...

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

    Sustainable Nanomaterials from Forest Products: Umaine Perspective Sustainable Nanomaterials from Forest Products: Umaine Perspective Sustainable Nanomaterials from Forest Products ...

  16. 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.

  17. Microreactor-Assisted Nanomaterial Deposition for Photovoltaic Thin-Film Production

    SciTech Connect (OSTI)

    2009-03-01

    This factsheet describes a research project whose goal is to develop and demonstrate a scalable microreactor-assisted nanomaterial deposition pilot platform for the production, purification, functionalization, and solution deposition of nanomaterials for PV applications.

  18. 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...

  19. 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

  20. Self Assembly for Nanostructured Electronic Devices at the Center for

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

    Functional Nanomaterials | MIT-Harvard Center for Excitonics Self Assembly for Nanostructured Electronic Devices at the Center for Functional Nanomaterials November 3, 2009 at 3pm/36-428 Charles Black Center for Functional Nanomaterials, Brookhaven National Laboratory Black_Chuck_D0331112 abstract: The Center for Functional Nanomaterials (CFN) at Brookhaven National Laboratory is a science-based user facility devoted to nanotechnology research addressing challenges in energy security. Five

  1. Nanomaterials Information | The Ames Laboratory

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

    Nanoparticles Department of Energy Nanoscale Science Research Centers Approach to Nanomaterial ES&H, Revision 3a - May 2008 NIOSH (2013). Current Intelligence Bulletin 65:...

  2. 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 ... of Maine Barry Goodell Department of Sustainable Biomaterials Gopal Goyal International ...

  3. 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.

  4. 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

  5. Nanomaterials for renewable energy

    SciTech Connect (OSTI)

    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 the sustainable energy, which need to solve the increasing shortage of resource and the issues of environmental pollution.

  6. Sustainable Nanomaterials Workshop | Department of Energy

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

    Workshops » 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

  7. 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.

  8. 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 Integrating ...

  9. 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.

  10. Nanomaterials Safety Implementation Plan, Ames Laboratory

    Broader source: Energy.gov [DOE]

    Ames Laboratory has limited activities involving nanomaterials.  Potential hazards associated with nanomaterials work are addressed through the Laboratory’s Integrated Safety Management System ...

  11. 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 ... on the current state of the art for Sustainable Nanomaterials, the vision for the ...

  12. 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.

  13. Nanomaterial Laboratory Safety, Boise State University | Department...

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

    A nanomaterial, as defined by The ASTM Committee on Nanotechnology, is a particle ... Safety Implementation Plan, Ames Laboratory Approaches to Safe Nanotechnology

  14. Nanomaterials Analysis using a Scanning Electron Microscope ...

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

    Nanomaterials Analysis using a Scanning Electron Microscope Technology available for licensing: Steradian X-ray detection system increases the detection capability of SEMs during...

  15. 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 nanomaterialantibody-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.

  16. 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.

  17. 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...

  18. Cellulose Nanomaterials: The Sustainable Material of Choice for...

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

    Laboratory June 26, 2012 Cellulose Nanomaterials: The Sustainable Material of Choice for the 21 st Century Sustainable Nanomaterials Workshop * Wood: a Sustainable & Renewable ...

  19. 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'

  20. 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'

  1. 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

  2. The Molecular Foundry (TMF) | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    The Molecular Foundry (TMF) 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

  3. 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.

  4. 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.

  5. 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.

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

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

    Carlos Gutierrez Carlos Gutierrez Acting Manager Resources Department Outlook Calendar (PCs only) Link for others: Outlook Public Folders/ All Public Folders/ VP-01000/ Centers/ 01100/ 01112/ 01112 Calendar" 01112 Sharepoint Diamond Coatings Socorro DFT Code Departments Nanomaterials Sciences The Nanomaterials Sciences Department develops innovative science to enable integrated self-powered sensors and actuators for national security needs and provides a basis for a secure national energy

  7. 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

  8. 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

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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...

  15. Electrocatalytic interface based on novel carbon nanomaterials for advanced electrochemical sensors

    SciTech Connect (OSTI)

    Zhou, Ming; Guo, Shaojun

    2015-07-17

    The rapid development of nanoscience and nanotechnology provides new opportunities for the sustainable progress of nanoscale catalysts (i.e., nanocatalysts). The introduction of nanocatalysts into electronic devices implants their novel functions into electronic sensing systems, resulting in the testing of many advanced electrochemical sensors and the fabrication of some highly sensitive, selective, and stable sensing platforms. In this Review, we will summarize recent significant progress on exploring advanced carbon nanomaterials (such as carbon nanotubes, graphene, highly ordered mesoporous carbons, and electron cyclotron resonance sputtered nanocarbon film) as nanoscale electrocatalysts (i.e., nanoelectrocatalysts) for constructing the catalytic nanointerfaces of electronic devices to achieve high-sensitivity and high-selectivity electrochemical sensors. Furthermore, different mechanisms for the extraordinary and unique electrocatalytic activities of these carbon nanomaterials will be also highlighted, compared and discussed. An outlook on the future trends and developments in this area will be provided at the end. Notably, to elaborate the nature of carbon nanomaterial, we will mainly focus on the electrocatalysis of single kind of carbon materials rather than their hybrid composite materials. As a result, we expect that advanced carbon nanomaterials with unique electrocatalytic activities will continue to attract increasing research interest and lead to new opportunities in various fields of research.

  16. Electrocatalytic interface based on novel carbon nanomaterials for advanced electrochemical sensors

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

    Zhou, Ming; Guo, Shaojun

    2015-07-17

    The rapid development of nanoscience and nanotechnology provides new opportunities for the sustainable progress of nanoscale catalysts (i.e., nanocatalysts). The introduction of nanocatalysts into electronic devices implants their novel functions into electronic sensing systems, resulting in the testing of many advanced electrochemical sensors and the fabrication of some highly sensitive, selective, and stable sensing platforms. In this Review, we will summarize recent significant progress on exploring advanced carbon nanomaterials (such as carbon nanotubes, graphene, highly ordered mesoporous carbons, and electron cyclotron resonance sputtered nanocarbon film) as nanoscale electrocatalysts (i.e., nanoelectrocatalysts) for constructing the catalytic nanointerfaces of electronic devices to achievemore » high-sensitivity and high-selectivity electrochemical sensors. Furthermore, different mechanisms for the extraordinary and unique electrocatalytic activities of these carbon nanomaterials will be also highlighted, compared and discussed. An outlook on the future trends and developments in this area will be provided at the end. Notably, to elaborate the nature of carbon nanomaterial, we will mainly focus on the electrocatalysis of single kind of carbon materials rather than their hybrid composite materials. As a result, we expect that advanced carbon nanomaterials with unique electrocatalytic activities will continue to attract increasing research interest and lead to new opportunities in various fields of research.« less

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

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

    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 ...

  18. Inverse Opals, a New Nanomaterial | Solid State Solar Thermal Energy

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

    Conversion Inverse Opals, a New Nanomaterial Seminar Wednesday Apr 6, 2016 12:00pm Location: 1-150 S3TEC welcomes Prof. Gerald Mahan

  19. Sustainable Nano-Materials: What is happening at the cellular...

    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 ...

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

    Office of Scientific and Technical Information (OSTI)

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

  1. Hongyou Fan Chosen for Prestigious Lecture on Creating Nanomaterials

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

    ... the development of new synthesis methods and self-assembly processes to fabricate multifunctional nanomaterials for applications in nanoelectronics, photonics, and energy storage. ...

  2. 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.

  3. 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.anostructured 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

  4. 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.

  5. 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

  6. 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

  7. 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

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

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

    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 ...

  9. 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.

  10. 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

  11. 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)

  12. Engineered Nanomaterials, Sexy New Technology and Potential Hazards

    SciTech Connect (OSTI)

    Beaulieu, R A

    2009-05-04

    Engineered nanomaterials enhance exciting new applications that can greatly benefit society in areas of cancer treatments, solar energy, energy storage, and water purification. While nanotechnology shows incredible promise in these and other areas by exploiting nanomaterials unique properties, these same properties can potentially cause adverse health effects to workers who may be exposed during work. Dispersed nanoparticles in air can cause adverse health effects to animals not merely due to their chemical properties but due to their size, structure, shape, surface chemistry, solubility, carcinogenicity, reproductive toxicity, mutagenicity, dermal toxicity, and parent material toxicity. Nanoparticles have a greater likelihood of lung deposition and blood absorption than larger particles due to their size. Nanomaterials can also pose physical hazards due to their unusually high reactivity, which makes them useful as catalysts, but has the potential to cause fires and explosions. Characterization of the hazards (and potential for exposures) associated with nanomaterial development and incorporation in other products is an essential step in the development of nanotechnologies. Developing controls for these hazards are equally important. Engineered controls should be integrated into nanomaterial manufacturing process design according to 10CFR851, DOE Policy 456.1, and DOE Notice 456.1 as safety-related hardware or administrative controls for worker safety. Nanomaterial hazards in a nuclear facility must also meet control requirements per DOE standards 3009, 1189, and 1186. Integration of safe designs into manufacturing processes for new applications concurrent with the developing technology is essential for worker safety. This paper presents a discussion of nanotechnology, nanomaterial properties/hazards and controls.

  13. 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.

  14. Microsoft Word - CFN_Summary_PCR_Test-Facility.docx

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

    SUMMARY Call for Nominations IO/16/CFT/13145/JTR Contract for The provision of a Test Facility for the Full Size Pre-Compression Rings Page 2 of 11 Table of Contents 1 PURPOSE AND BACKGROUND ............................................................................................................... 3 2 SCOPE OF THE CONTRACT ..................................................................................................................... 3 3 PROCUREMENT STRATEGY

  15. 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.

  16. Excited State Processes in Electronic and Bio Nanomaterials (ESP-2016)

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

    June » Center for Nonlinear Studies Excited State Processes in Electronic and Bio Nanomaterials (ESP-2016) WHEN: Jun 13, 2016 8:00 AM - Jun 16, 2016 5:00 PM WHERE: Hilton Santa Fe Historic Plaza CONTACT: Sergei Tretiak (505) 667-8351 CATEGORY: Science TYPE: Conference INTERNAL: Calendar Login Event Description This interdisciplinary conference will provide an open forum for active interactions between researchers from different subfields. The scope of the conference is a variety of excited

  17. 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.

  18. Petascale Simulations of Self-Healing Nanomaterials | Argonne Leadership

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

    Computing Facility simulation of the oxidation of a fractured alumina matrix embedded with silicon carbide nanoparticles Reactive molecular dynamics simulation of the oxidation of a fractured alumina matrix embedded with silicon carbide nanoparticles. Credit: Rajiv Kalia, Ying Li, Aiichiro Nakano, Ken-ichi Nomura, Pankaj Rajak, and Priya Vashishta, University of Southern California Petascale Simulations of Self-Healing Nanomaterials PI Name: Rajiv Kalia PI Email: rkalia@usc.edu Institution:

  19. Multitasking mesoporous nanomaterials for biorefinery applications

    SciTech Connect (OSTI)

    Kandel, Kapil

    2013-01-01

    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

  20. 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

  1. 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

  2. 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.

  3. Burners and combustion apparatus for carbon nanomaterial production

    DOE Patents [OSTI]

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

    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. 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.

  5. 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

  6. Antimicrobial nanomaterials derived from natural products—A review

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

    Wang, Ji; Vermerris, Wilfred

    2016-03-30

    Modern medicine has relied heavily on the availability of effective antibiotics to manage infections and enable invasive surgery. With the emergence of antibiotic-resistant bacteria, novel approaches are necessary to prevent the formation of biofilms on sensitive surfaces such as medical implants. Advances in nanotechnology have resulted in novel materials and the ability to create novel surface topographies. This review article provides an overview of advances in the fabrication of antimicrobial nanomaterials that are derived from biological polymers or that rely on the incorporation of natural compounds with antimicrobial activity in nanofibers made from synthetic materials. Furthermore, the availability of thesemore » novel materials will contribute to ensuring that the current level of medical care can be maintained as more bacteria are expected to develop resistance against existing antibiotics.« less

  7. 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.

  8. 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

  9. Through a glass, warmly: Argonne nanomaterials can help make windows more

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

    efficient | Argonne National Laboratory Through a glass, warmly: Argonne nanomaterials can help make windows more efficient By Greg Cunningham * May 31, 2016 Tweet EmailPrint A team of researchers at the U.S. Department of Energy's (DOE's) Argonne National Laboratory is using nanomaterials to improve the energy efficiency of existing single-pane windows in commercial and residential buildings. The team was recently awarded a $3.1 million grant from DOE's Advanced Research Projects

  10. Electrochemical Sensors and Biosensors Based on Nanomaterials and Nanostructures

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

    Zhu, Chengzhou; Yang, Guohai; Li, He; Du, Dan; Lin, Yuehe

    2014-10-29

    We report that considerable attention has been devoted to the integration of recognition elements with electronic elements to develop electrochemical sensors and biosensors.Various electrochemical devices, such as amperometric sensors, electrochemical impedance sensors, and electrochemical luminescence sensors as well as photoelectrochemical sensors, provide wide applications in the detection of chemical and biological targets in terms of electrochemical change of electrode interfaces. Here, this review focuses on recent advances in electrochemical sensors and biosensors based on nanomaterials and nanostructures during 2013 to 2014. The aim of this effort is to provide the reader with a clear and concise view of new advancesmore » in areas ranging from electrode engineering, strategies for electrochemical signal amplification, and novel electroanalytical techniques used in the miniaturization and integration of the sensors. Moreover, the authors have attempted to highlight areas of the latest and significant development of enhanced electrochemical nanosensors and nanobiosensors that inspire broader interests across various disciplines. Electrochemical sensors for small molecules, enzyme-based biosensors, genosensors, immunosensors, and cytosensors are reviewed herein (Figure 1). Such novel advances are important for the development of electrochemical sensors that open up new avenues and methods for future research. In conclusion, we recommend readers interested in the general principles of electrochemical sensors and electrochemical methods to refer to other excellent literature for a broad scope in this area.(3, 4) However, due to the explosion of publications in this active field, we do not claim that this Review includes all of the published works in the past two years and we apologize to the authors of excellent work, which is unintentionally left out.« less

  11. Electrochemical Sensors and Biosensors Based on Nanomaterials and Nanostructures

    SciTech Connect (OSTI)

    Zhu, Chengzhou; Yang, Guohai; Li, He; Du, Dan; Lin, Yuehe

    2014-10-29

    We report that considerable attention has been devoted to the integration of recognition elements with electronic elements to develop electrochemical sensors and biosensors.Various electrochemical devices, such as amperometric sensors, electrochemical impedance sensors, and electrochemical luminescence sensors as well as photoelectrochemical sensors, provide wide applications in the detection of chemical and biological targets in terms of electrochemical change of electrode interfaces. Here, this review focuses on recent advances in electrochemical sensors and biosensors based on nanomaterials and nanostructures during 2013 to 2014. The aim of this effort is to provide the reader with a clear and concise view of new advances in areas ranging from electrode engineering, strategies for electrochemical signal amplification, and novel electroanalytical techniques used in the miniaturization and integration of the sensors. Moreover, the authors have attempted to highlight areas of the latest and significant development of enhanced electrochemical nanosensors and nanobiosensors that inspire broader interests across various disciplines. Electrochemical sensors for small molecules, enzyme-based biosensors, genosensors, immunosensors, and cytosensors are reviewed herein (Figure 1). Such novel advances are important for the development of electrochemical sensors that open up new avenues and methods for future research. In conclusion, we recommend readers interested in the general principles of electrochemical sensors and electrochemical methods to refer to other excellent literature for a broad scope in this area.(3, 4) However, due to the explosion of publications in this active field, we do not claim that this Review includes all of the published works in the past two years and we apologize to the authors of excellent work, which is unintentionally left out.

  12. 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.

  13. 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.

  14. Anisotropic Hexagonal Boron Nitride Nanomaterials - Synthesis and Applications

    SciTech Connect (OSTI)

    Han,W.Q.

    2008-08-01

    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].

  15. Lab Breakthrough: Nanomaterials Discoveries Lead to Possible Cancer Treatment

    Broader source: Energy.gov [DOE]

    Argonne nanoscientists are capable of building materials atom by atom and controlling their advanced functions to repair biological systems at unprecedentedly small scales.

  16. Peptoid Nanosheets Offer a Diversity of Functionalities

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

    Peptoid Nanosheets Offer a Diversity of Functionalities 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

  17. 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.

  18. 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

  19. OSTIblog Articles in the nanomaterials Topic | OSTI, US Dept of Energy

    Office of Scientific and Technical Information (OSTI)

    Office of Scientific and Technical Information nanomaterials Topic Plasmas - The Greatest Show on Earth by Kathy Chambers 24 Jun, 2013 in Products and Content Perhaps the most beautiful and eerie displays of light in our sky are a phenomenon known as the auroras. This natural glow of light in the sky in high latitude regions usually displays ribbons of colors from a fluorescent green to brilliant purple to a vivid crimson somewhat like an unexpected beautiful sunrise or sunset. Observers

  20. 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.

  1. 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...

  2. From thermoelectric bulk to nanomaterials: Current progress for Bi 2 Te 3 and CoSb 3: From thermoelectric bulk to nanomaterials

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

    Peranio, N.; Eibl, O.; Bäßler, S.; Nielsch, K.; Klobes, B.; Hermann, R. P.; Daniel, M.; Albrecht, M.; Görlitz, H.; Pacheco, V.; et al

    2015-10-29

    We synthesized Bi2Te3 and CoSb3 based nanomaterials and their thermoelectric, structural, and vibrational properties analyzed to assess and reduce ZT-limiting mechanisms. The same preparation and/or characterization methods were applied in the different materials systems. Single-crystalline, ternary p-type Bi15Sb29Te56, and n-type Bi38Te55Se7 nanowires with power factors comparable to nanostructured bulkmaterialswere prepared by potential-pulsed electrochemical deposition in a nanostructured Al2O3 matrix. p-type Sb2Te3, n-type Bi2Te3, and n-type CoSb3 thin films were grown at room temperature using molecular beam epitaxy and were subsequently annealed at elevated temperatures. It yielded polycrystalline, single phase thin films with optimized charge carrier densities. In CoSb3 thin filmsmore » the speed of sound could be reduced by filling the cage structure with Yb and alloying with Fe yielded p-type material. Bi2(Te0.91Se0.09)3/SiC and (Bi0.26Sb0.74)2Te3/SiC nanocomposites with low thermal conductivities and ZT values larger than 1 were prepared by spark plasma sintering. Nanostructure, texture, chemical composition, as well as electronic and phononic excitations were investigated by X-ray diffraction, nuclear resonance scattering, inelastic neutron scattering, M ossbauer spectroscopy, and transmission electron microscopy. Furthermore, for Bi2Te3 materials, ab-initio calculations together with equilibrium and non-equilibrium molecular dynamics simulations for point defects yielded their formation energies and their effect on lattice thermal conductivity, respectively. Current advances in thermoelectric Bi2Te3 and CoSb3 based nanomaterials are summarized. Advanced synthesis and characterization methods and theoreticalmodelingwere combined to assess and reduce ZT-limiting mechanisms in these materials.« less

  3. Peptoid Nanosheets Offer a Diversity of Functionalities

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

    Peptoid Nanosheets Offer a Diversity of Functionalities 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

  4. 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

  5. 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

  6. 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

  7. Alkali metal yttrium neo-pentoxide double alkoxide precursors to alkali metal yttrium oxide nanomaterials

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

    Boyle, Timothy J.; Neville, Michael L.; Sears, Jeremiah Matthew; Cramer, Roger

    2016-03-15

    In this study, a series of alkali metal yttrium neo-pentoxide ([AY(ONep)4]) compounds were developed as precursors to alkali yttrium oxide (AYO2) nanomaterials. The reaction of yttrium amide ([Y(NR2)3] where R=Si(CH3)3) with four equivalents of H-ONep followed by addition of [A(NR2)] (A=Li, Na, K) or Ao (Ao=Rb, Cs) led to the formation of a complex series of AnY(ONep)3+n species, crystallographically identified as [Y2Li3(μ3-ONep)(μ3-HONep)(μ-ONep)5(ONep)3(HONep)2] (1), [YNa2(μ3-ONep)4(ONep)]2 (2), {[Y2K3(μ3-ONep)3(μ-ONep)4(ONep)2(ηξ-tol)2][Y4K2(μ4-O)(μ3-ONep)8(ONep)4]•ηx-tol]} (3), [Y4K2(μ4-O)(μ3-ONep)8(ONep)4] (3a), [Y2Rb3(μ4-ONep)3(μ-ONep)6] (4), and [Y2Cs4(μ6-O)(μ3-ONep)6(μ3-HONep)2(ONep)2(ηx-tol)4]•tol (5). Compounds 1–5 were investigated as single source precursors to AYOx nanomaterials following solvothermal routes (pyridine, 185 °C for 24h). The final products after thermal processing weremore » found by powder X-ray diffraction experiments to be Y2O3 with variable sized particles based on transmission electron diffraction. Energy dispersive X-ray spectroscopy studies indicated that the heavier alkali metal species were present in the isolated nanomaterials.« less

  8. From thermoelectric bulk to nanomaterials: Current progress for Bi 2 Te 3 and CoSb 3: From thermoelectric bulk to nanomaterials

    SciTech Connect (OSTI)

    Peranio, N.; Eibl, O.; Bäßler, S.; Nielsch, K.; Klobes, B.; Hermann, R. P.; Daniel, M.; Albrecht, M.; Görlitz, H.; Pacheco, V.; Bedoya-Martínez, N.; Hashibon, A.; Elsässer, C.

    2015-10-29

    We synthesized Bi2Te3 and CoSb3 based nanomaterials and their thermoelectric, structural, and vibrational properties analyzed to assess and reduce ZT-limiting mechanisms. The same preparation and/or characterization methods were applied in the different materials systems. Single-crystalline, ternary p-type Bi15Sb29Te56, and n-type Bi38Te55Se7 nanowires with power factors comparable to nanostructured bulkmaterialswere prepared by potential-pulsed electrochemical deposition in a nanostructured Al2O3 matrix. p-type Sb2Te3, n-type Bi2Te3, and n-type CoSb3 thin films were grown at room temperature using molecular beam epitaxy and were subsequently annealed at elevated temperatures. It yielded polycrystalline, single phase thin films with optimized charge carrier densities. In CoSb3 thin films the speed of sound could be reduced by filling the cage structure with Yb and alloying with Fe yielded p-type material. Bi2(Te0.91Se0.09)3/SiC and (Bi0.26Sb0.74)2Te3/SiC nanocomposites with low thermal conductivities and ZT values larger than 1 were prepared by spark plasma sintering. Nanostructure, texture, chemical composition, as well as electronic and phononic excitations were investigated by X-ray diffraction, nuclear resonance scattering, inelastic neutron scattering, M ossbauer spectroscopy, and transmission electron microscopy. Furthermore, for Bi2Te3 materials, ab-initio calculations together with equilibrium and non-equilibrium molecular dynamics simulations for point defects yielded their formation energies and their effect on lattice thermal conductivity, respectively. Current advances in thermoelectric Bi2Te3 and CoSb3 based nanomaterials are

  9. 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

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

    SciTech Connect (OSTI)

    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 emitters 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)?

  11. A handheld low temperature atmospheric pressure air plasma gun for nanomaterial synthesis in liquid phase

    SciTech Connect (OSTI)

    Yu, Shuang; Wang, Kaile; Zuo, Shasha; Liu, Jiahui; Zhang, Jue Fang, Jing

    2015-10-15

    A handheld low temperature atmospheric pressure air plasma gun based on a dielectric barrier structure with hollow electrodes was proposed. The portable plasma gun with an embedded mini air pump was driven by a 12 V direct voltage battery. The air plasma jet generated from the gun could be touched without a common shock hazard. Besides working in air, the plasma gun can also work in water. The diagnostic result of optical emission spectroscopy showed the difference in reactive species of air plasma jet between in air and in water. The plasma gun was excited in 20 ml chloroauric acid aqueous solution with a concentration of 1.214 mM. A significant amount of gold nanoparticles were synthesized after 2 min continuous discharge. The plasma gun with these unique features is applicable in plasma medicine, etching, and s-nthesis of nanomaterials.

  12. 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.

  13. 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.

  14. Ultrafast and Highly Reversible Sodium Storage in Zinc-Antimony Intermetallic Nanomaterials

    SciTech Connect (OSTI)

    Nie, Anmin; Gan, Li-yong; Cheng, Yingchun; Tao, Xinyong; Yuan, Yifei; Sharifi-Asl, Soroosh; He, Kun; Asayesh-Ardakani, Hasti; Vasiraju, Venkata; Lu, Jun; Mashayek, Farzad; Klie, Robert; Vaddiraju, Sreeram; Schwingenschlögl, Udo; Shahbazian-Yassar, Reza

    2015-12-17

    The progress on sodium-ion battery technology faces many grand challenges, one of which is the considerably lower rate of sodium insertion/deinsertion in electrode materials due to the larger size of sodium (Na) ions and complicated redox reactions compared to the lithium-ion systems. Here, it is demonstrated that sodium ions can be reversibly stored in Zn-Sb intermetallic nanowires at speeds that can exceed 295 nm s-1. Remarkably, these values are one to three orders of magnitude higher than the sodiation rate of other nanowires electrochemically tested with in situ transmission electron micro­scopy. It is found that the nanowires display about 161% volume expansion after the first sodiation and then cycle with an 83% reversible volume expansion. Despite their massive expansion, the nanowires can be cycled without any cracking or facture during the ultrafast sodiation/desodiation process. Additionally, most of the phases involved in the sodiation/desodiation process possess high electrical conductivity. More specifically, the NaZnSb exhibits a layered structure, which provides channels for fast Na+ diffusion. This observation indicates that Zn-Sb intermetallic nanomaterials offer great promise as high rate and good cycling stability anodic materials for the next generation of sodium-ion batteries.

  15. Preface of the “Computational quantum chemistry and from small clusters to functional building blocks of novel nanomaterials symposium”

    SciTech Connect (OSTI)

    Maroulis, George; Pouchan, C.; Xenides, D.; Karamanis, P.

    2015-01-22

    This symposium included papers with emphasis on Theoretical and Computational Quantum Chemistry and special focus on Materials Science perspectives.

  16. 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.

  17. Biomolecular interactions and responses of human epithelial and macrophage cells to engineered nanomaterials.

    SciTech Connect (OSTI)

    Kotula, Paul Gabriel; Brozik, Susan Marie; Achyuthan, Komandoor E.; Greene, Adrienne Celeste; Timlin, Jerilyn Ann; Bachand, George David; Bachand, Marlene; Aaron, Jesse S.; Allen, Amy; Seagrave, Jean-Clare

    2011-12-01

    Engineered nanomaterials (ENMs) are increasingly being used in commercial products, particularly in the biomedical, cosmetic, and clothing industries. For example, pants and shirts are routinely manufactured with silver nanoparticles to render them 'wrinkle-free.' Despite the growing applications, the associated environmental health and safety (EHS) impacts are completely unknown. The significance of this problem became pervasive within the general public when Prince Charles authored an article in 2004 warning of the potential social, ethical, health, and environmental issues connected to nanotechnology. The EHS concerns, however, continued to receive relatively little consideration from federal agencies as compared with large investments in basic nanoscience R&D. The mounting literature regarding the toxicology of ENMs (e.g., the ability of inhaled nanoparticles to cross the blood-brain barrier; Kwon et al., 2008, J. Occup. Health 50, 1) has spurred a recent realization within the NNI and other federal agencies that the EHS impacts related to nanotechnology must be addressed now. In our study we proposed to address critical aspects of this problem by developing primary correlations between nanoparticle properties and their effects on cell health and toxicity. A critical challenge embodied within this problem arises from the ability to synthesize nanoparticles with a wide array of physical properties (e.g., size, shape, composition, surface chemistry, etc.), which in turn creates an immense, multidimensional problem in assessing toxicological effects. In this work we first investigated varying sizes of quantum dots (Qdots) and their ability to cross cell membranes based on their aspect ratio utilizing hyperspectral confocal fluorescence microscopy. We then studied toxicity of epithelial cell lines that were exposed to different sized gold and silver nanoparticles using advanced imaging techniques, biochemical analyses, and optical and mass spectrometry methods

  18. 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

  19. 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.

  20. Wave-function functionals

    SciTech Connect (OSTI)

    Pan Xiaoyin; Slamet, Marlina; Sahni, Viraht

    2010-04-15

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

  1. Muge Acik | Argonne National Laboratory

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

    nanomaterials important to energy and biotechnology applications function, and she ... nanomaterials important to energy and biotechnology applications function, and she ...

  2. 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...

  3. 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...

  4. 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.

  5. Synthesis of Shape-Anisotropic Nanomaterials using Spontaneous Galvanic Displacement Reactions

    SciTech Connect (OSTI)

    Leong, G. J.; Strand, M.; Schulze, M.; Maloney, D.; Larson, D.; Alia, S.; Perry, K.; Neyerlin, K. C.; Pivovar, B.; Wise, A. M.; Toney, M.; Richards, R. M.

    2013-01-01

    The direct synthesis of nanostructures using wet chemical reduction methods has had a major impact on catalysis and materials design. However, no mechanism has yet been reported that explicitly provides growth parameters for shapes and sizes as a function of desired metals, making it difficult to directly synthesize shaped particles from specific metals. There have been reports in the literature using this method to obtain core-shell, porous cage-like and irregular structures, however only one report proposing a mechanism of the displacement process exists, which does not explain surface and bulk morphology changes as a function of reaction condition. Here, we demonstrate the use of small angle x-ray scattering (SAXS), and microscopy to study the Ag-to-Pt displacement process of nanoparticles, nanowires and nanoplates at known intervals throughout the reaction. Obtaining a fundamental understanding of the displacement process will allow us to tune composition, morphology, and thus electronic properties of novel materials.

  6. 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-1β (IL-1β) 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 μ g/mL, but did not induce IL-1β. TiO2 was not cytotoxic except for the nanobelt form, which was cytotoxic and induced significant IL-1β production in THP-1 cells. MWCNTs did not produce cytotoxicity, but stimulated lower levels of IL-1β production in THP-1 cells, with the original MWCNT producing the most IL-1β. 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.

  7. Metrology for Sustainable Nanomaterials

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

    Do instruments of the same class provide the same answers to the question: "How XXX* is it" * Interlab Study data from the same lab XXX*- fill in the blank: big, composition, etc. ...

  8. 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.

  9. 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.

  10. 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 ... Uses renewable resources grown with sustainable forestry practices Encourages ...

  11. "Energetics of Nanomaterials"

    SciTech Connect (OSTI)

    Professor Alexandra Navrotsky

    2005-01-31

    This project represents a three-year collaboration among Alexandra Navrotsky, Brian Woodfield, Juliana Bocrio-Goates and Frances Hellman. It's purpose has been to explore the differences between bulk materials, nanoparticles, and thin films in terms of their thermodynamic properties, with an emphasis on heat capacities and entropies, as well as enthalpies. The three groups have brought very different expertise and capabilities to the project. Navrotsky is a solid-state chemist and geochemist, with a unique Thermochemistry Facility emphasizing enthalpy of formation measurements by high temperature oxide melt and room temperature acid solution calorimetry. Bocrio-Goates and Woodfield are physical chemists with unique capabilities in accurate cryogenic heat capacity measurements using adiabatic calorimetry. Hellman is a physicist with expertise in magnetism and heat capacity measurements using microscale ''detector on a chip'' calorimetric technology that she pioneered. The overarching question of the work is ''How does the free energy play out in nanoparticles''? or ''How do differences in free energy affect overall nanoparticle behavior''? Because the free energy represents the temperature-dependent balance between the enthalpy of a system and its entropy, there are two separate, but related, components to the experimental investigations: Solution calorimetric measurements provide the energetics and two types of heat capacity measurements the entropy. They use materials that are well characterized in other ways (structurally, magnetically, and chemically), and samples are shared across the collaboration.

  12. Nanomaterial Procedure Checklist

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

    macro-sized material (e.g. flammability, corrosivity, reactivityexplosion, acute toxicity, or carcinogenicity). ...

  13. Calibration and data collection protocols for reliable lattice parameter values in electron pair distribution function studies

    SciTech Connect (OSTI)

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

    2015-01-30

    Different protocols for calibrating electron pair distribution function (ePDF) measurements are explored and described for quantitative studies on nanomaterials. It is found that the most accurate approach to determine the camera length is to use a standard calibration sample of Au nanoparticles from the 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.

  14. Functional Materials

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

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

  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. UPF-Related Forms | Y-12 National Security Complex

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

    HaulLift Plan PDF CFN-1090 UPF Lift Data Sheet - Single Crane Pick and Set PDF CFN-1091 UPF Lift Data Sheet - Two Crane Pick and Set PDF CFN-1092 UPF Pre-Lift Safety Checklist ...

  17. 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

  18. 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 . . . . .

  19. Ordering in bio-inorganic hybrid nanomaterials probed by in situ scanning transmission X-ray microscopy

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

    Lee, Jonathan R. I.; Bagge-Hansen, Michael; Tunuguntla, Ramya; Kim, Kyunghoon; Bangar, Mangesh; Willey, Trevor M.; Tran, Ich C.; Kilcoyne, David A.; Noy, Aleksandr; van Buuren, Tony

    2015-04-15

    Here, phospholipid bilayer coated Si nanowires are one-dimensional (1D) composites that provide versatile bio-nanoelectronic functionality via incorporation of a wide variety of biomolecules into the phospholipid matrix. The physiochemical behaviour of the phospholipid bilayer is strongly dependent on its structure and, as a consequence, substantial modelling and experimental efforts have been directed at the structural characterization of supported bilayers and unsupported phospholipid vesicles; nonetheless, the experimental studies conducted to date have exclusively involved volume-averaged techniques, which do not allow for the assignment of spatially resolved structural variations that could critically impact the performance of the 1D phospholipid-Si NW composites. Inmore » this manuscript, we use scanning transmission X-ray microscopy (STXM) to probe bond orientation and bilayer thickness as a function of position with a spatial resolution of ~30 nm for Δ9-cis 1,2-dioleoyl-sn-glycero-3-phosphocholine layers prepared Si NWs. When coupled with small angle X-ray scattering measurements, the STXM data reveal structural motifs of the Si NWs that give rise to multi-bilayer formation and enable assignment of the orientation of specific bonds known to affect the order and rigidity of phospholipid bilayers.« less

  20. Characterization of one-dimensional molecular chains of 4,4'...

    Office of Scientific and Technical Information (OSTI)

    Center for Functional Nanomaterials; Sutter, Peter Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials; Stacchiola, Dario J. ...

  1. Cell-based composite materials with programmed structures and functions

    DOE Patents [OSTI]

    None

    2016-03-01

    The present invention is directed to the use of silicic acid to transform biological materials, including cellular architecture into inorganic materials to provide biocomposites (nanomaterials) with stabilized structure and function. In the present invention, there has been discovered a means to stabilize the structure and function of biological materials, including cells, biomolecules, peptides, proteins (especially including enzymes), lipids, lipid vesicles, polysaccharides, cytoskeletal filaments, tissue and organs with silicic acid such that these materials may be used as biocomposites. In many instances, these materials retain their original biological activity and may be used in harsh conditions which would otherwise destroy the integrity of the biological material. In certain instances, these biomaterials may be storage stable for long periods of time and reconstituted after storage to return the biological material back to its original form. In addition, by exposing an entire cell to form CSCs, the CSCs may function to provide a unique system to study enzymes or a cascade of enzymes which are otherwise unavailable.

  2. News Item

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

    Klaus van Benthem is interested in the investigation of the functionalities of novel nano-materials. He uses electron microscopy tools to image nano-materials with atomic ...

  3. Wave-function functionals for the density

    SciTech Connect (OSTI)

    Slamet, Marlina; Pan Xiaoyin; Sahni, Viraht

    2011-11-15

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

  4. 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...

  5. Transportation Organization and Functions

    Broader source: Energy.gov [DOE]

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

  6. 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.

  7. 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.

  8. 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

  9. 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

  10. Ordering in bio-inorganic hybrid nanomaterials probed by in situ scanning transmission X-ray microscopy

    SciTech Connect (OSTI)

    Lee, Jonathan R. I.; Bagge-Hansen, Michael; Tunuguntla, Ramya; Kim, Kyunghoon; Bangar, Mangesh; Willey, Trevor M.; Tran, Ich C.; Kilcoyne, David A.; Noy, Aleksandr; van Buuren, Tony

    2015-04-15

    Here, phospholipid bilayer coated Si nanowires are one-dimensional (1D) composites that provide versatile bio-nanoelectronic functionality via incorporation of a wide variety of biomolecules into the phospholipid matrix. The physiochemical behaviour of the phospholipid bilayer is strongly dependent on its structure and, as a consequence, substantial modelling and experimental efforts have been directed at the structural characterization of supported bilayers and unsupported phospholipid vesicles; nonetheless, the experimental studies conducted to date have exclusively involved volume-averaged techniques, which do not allow for the assignment of spatially resolved structural variations that could critically impact the performance of the 1D phospholipid-Si NW composites. In this manuscript, we use scanning transmission X-ray microscopy (STXM) to probe bond orientation and bilayer thickness as a function of position with a spatial resolution of ~30 nm for Δ9-cis 1,2-dioleoyl-sn-glycero-3-phosphocholine layers prepared Si NWs. When coupled with small angle X-ray scattering measurements, the STXM data reveal structural motifs of the Si NWs that give rise to multi-bilayer formation and enable assignment of the orientation of specific bonds known to affect the order and rigidity of phospholipid bilayers.

  11. 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.

  12. Parametric Hazard Function Estimation.

    Energy Science and Technology Software Center (OSTI)

    1999-09-13

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

  13. Extracting the Eliashberg Function

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

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

  14. Structure function monitor

    DOE Patents [OSTI]

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

    2012-01-24

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

  15. Algal functional annotation tool

    SciTech Connect (OSTI)

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

    2012-07-01

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

  16. 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.

  17. Algal functional annotation tool

    SciTech Connect (OSTI)

    2012-07-12

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

  18. 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

  19. 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.

  20. 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

  1. 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.

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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...

  8. 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.

  9. Nanomaterials for sodium-ion batteries

    SciTech Connect (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.

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

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

    of magnetic nanosystems. Additionally, support of classical atomistic and coarse-grained molecular dynamics methods as well as self-consistent field theoretic approaches are also...

  11. Manufacturing Innovation Topics Workshop: Engineered Nanomaterials

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

    and risks - Review of government Nano IMI planning activities to-date * Review ... Value: In 2006, the global market for Nano-enabled products was valued at 2.6 trillion. ...

  12. Sustainable Nanomaterials from Forest Products: Umaine Perspective

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

    ... in the Nanotech Revolution Benefits for U.S. and Society: Renewable recyclable, sustainable technology Intelligent products with nanosensors for measuring forces, loads, ...

  13. 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...

  14. Mesoporous Silica Nanomaterials for Applications in Catalysis...

    Office of Scientific and Technical Information (OSTI)

    horses have ability to deliver Doxorubicin to cancer cells and induce their death. ... was able to transfect cancer cell lines, such as human HeLa and CHO cancer cell lines. ...

  15. 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.

  16. 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...

  17. Process for functionalizing alkanes

    DOE Patents [OSTI]

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

    1988-01-01

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

  18. Process for functionalizing alkanes

    DOE Patents [OSTI]

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

    1985-01-01

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

  19. CNEEC - Flame Synthesis Tutorial by Xiaolin Zheng

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

    Flame Synthesis of Nanomaterials

  20. 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.

  1. FFTF Plant transition function analysis report

    SciTech Connect (OSTI)

    Lund, D.P.; FFTF Working Group

    1995-09-01

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

  2. Methods of making functionalized nanorods

    DOE Patents [OSTI]

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

    2012-01-10

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

  3. Functional Accountability | Department of Energy

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

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

  4. Dual function conducting polymer diodes

    DOE Patents [OSTI]

    Heeger, Alan J.; Yu, Gang

    1996-01-01

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

  5. 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.

  6. 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.

  7. 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, 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. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. Quantitative Profiling of Protein S-Glutathionylation Reveals Redox-Dependent Regulation of Macrophage Function During Nanoparticle-Induced Oxidative Stress

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

    Duan, Jicheng; Kodali, Vamsi K.; Gaffrey, Matthew J.; Guo, Jia; Chu, Rosalie K.; Camp, David G.; Smith, Richard D.; Thrall, Brian D.; Qian, Wei-Jun

    2015-12-23

    Engineered nanoparticles (ENPs) are emerging functional materials increasingly utilized for commercial and medical applications. Due to the potential hazard effects of ENPs to human health, it is significant to assess and understand the underlying mechanisms of nanotoxicity. Here, we investigate protein S-glutathionylation (SSG) as an underlying regulatory mechanism for ENP-induced oxidative stress in macrophages by applying a recently developed quantitative redox proteomics approach for site-specific measurements of SSG. Three high-volume production ENPs (SiO2, Fe3O4 and CoO) were selected as representative ENPs with low, moderate, and high reactive oxygen species (ROS) activity, respectively. Among these nanoparticles, we observe that CoO ledmore » to the most significant dose-dependent oxidative stress and increase of protein SSG modifications in macrophages. Our site-specific SSG changes highlighted a broad set of redox sensitive proteins and their specific Cys residues potentially implicated in stress response. Functional analysis revealed that the most significantly enriched functional categories for SSG-modified proteins were stress response, cellular structure change, and cell death or survival. Moreover, ENPs-induce oxidative stress levels (CoO > Fe3O4 > SiO2) were found to correlate well with the levels of impairment of macrophage phagocytic activity and the overall degrees of increases in SSG. RNA silencing knockdown experiment of glutaredoxin 1 (Grx1) also led to a decreased phagocytic activity in macrophages, which suggested a regulatory role of SSG in phagocytosis. Together, the results provided valuable insights of protein SSG as a potential regulatory mechanism in response to nanomaterial-induced oxidative stress and immunity dysfunction.« less

  13. Quantitative Profiling of Protein S-Glutathionylation Reveals Redox-Dependent Regulation of Macrophage Function During Nanoparticle-Induced Oxidative Stress

    SciTech Connect (OSTI)

    Duan, Jicheng; Kodali, Vamsi K.; Gaffrey, Matthew J.; Guo, Jia; Chu, Rosalie K.; Camp, David G.; Smith, Richard D.; Thrall, Brian D.; Qian, Weijun

    2015-12-23

    Engineered nanoparticles (ENPs) are emerging functional materials increasingly utilized for commercial and medical applications. Due to the potential hazard effects of ENPs to human health, it is significant to assess and understand the underlying mechanisms of nanotoxicity. Herein, we investigate protein S-glutathionylation (SSG) as an underlying regulatory mechanism for ENP-induced oxidative stress in macrophages by applying a recently developed quantitative redox proteomics approach for site-specific measurements of SSG. Three high-volume production ENPs (SiO2, Fe3O4 and CoO) were selected as representative ENPs with low, moderate, and high reactive oxygen species (ROS) activity, respectively. Among these nanoparticles, we observe that CoO led to the most significant dose-dependent oxidative stress and increase of protein SSG modifications in macrophages. Our site-specific SSG changes highlighted a broad set of redox sensitive proteins and their specific Cys residues potentially implicated in stress response. Functional analysis revealed that the most significantly enriched functional categories for SSG-modified proteins were stress response, cellular structure change, and cell death or survival. Moreover, ENPs-induce oxidative stress levels (CoO > Fe3O4 > SiO2) were found to correlate well with the levels of impairment of macrophage phagocytic activity and the overall degrees of increases in SSG. RNA silencing knockdown experiment of glutaredoxin 1 (Grx1) also led to a decreased phagocytic activity in macrophages, which suggested a regulatory role of SSG in phagocytosis. Together, the results provided valuable insights of protein SSG as a potential regulatory mechanism in response to nanomaterial-induced oxidative stress and immunity dysfunction.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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).

  1. 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.

  2. 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.

  3. 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.

  4. Faraday dispersion functions of galaxies

    SciTech Connect (OSTI)

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

    2014-09-01

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  7. 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:...

  8. 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...

  9. 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 ...

  10. 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...

  11. Tiny plastic lung mimics human pulmonary function

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

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

  12. Structure-Based Design of Functional Amyloid Materials

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

    Li, Dan; Jones, Eric M.; Sawaya, Michael R.; Furukawa, Hiroyasu; Luo, Fang; Ivanova, Magdalena; Sievers, Stuart A.; Wang, Wenyuan; Yaghi, Omar M.; Liu, Cong; et al

    2014-12-04

    We report that amyloid fibers, once exclusively associated with disease, are acquiring utility as a class of biological nanomaterials. We introduce a method that utilizes the atomic structures of amyloid peptides, to design materials with versatile applications. As a model application, we designed amyloid fibers capable of capturing carbon dioxide from flue gas, to address the global problem of excess anthropogenic carbon dioxide. By measuring dynamic separation of carbon dioxide from nitrogen, we show that fibers with designed amino acid sequences double the carbon dioxide binding capacity of the previously reported fiber formed by VQIVYK from Tau protein. In amore » second application, we designed fibers that facilitate retroviral gene transfer. Finally, by measuring lentiviral transduction, we show that designed fibers exceed the efficiency of polybrene, a commonly used enhancer of transduction. The same procedures can be adapted to the design of countless other amyloid materials with a variety of properties and uses.« less

  13. Structure-Based Design of Functional Amyloid Materials

    SciTech Connect (OSTI)

    Li, Dan; Jones, Eric M.; Sawaya, Michael R.; Furukawa, Hiroyasu; Luo, Fang; Ivanova, Magdalena; Sievers, Stuart A.; Wang, Wenyuan; Yaghi, Omar M.; Liu, Cong; Eisenberg, David S.

    2014-12-04

    We report that amyloid fibers, once exclusively associated with disease, are acquiring utility as a class of biological nanomaterials. We introduce a method that utilizes the atomic structures of amyloid peptides, to design materials with versatile applications. As a model application, we designed amyloid fibers capable of capturing carbon dioxide from flue gas, to address the global problem of excess anthropogenic carbon dioxide. By measuring dynamic separation of carbon dioxide from nitrogen, we show that fibers with designed amino acid sequences double the carbon dioxide binding capacity of the previously reported fiber formed by VQIVYK from Tau protein. In a second application, we designed fibers that facilitate retroviral gene transfer. Finally, by measuring lentiviral transduction, we show that designed fibers exceed the efficiency of polybrene, a commonly used enhancer of transduction. The same procedures can be adapted to the design of countless other amyloid materials with a variety of properties and uses.

  14. FUNCTION GENERATOR FOR ANALOGUE COMPUTERS

    DOE Patents [OSTI]

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

    1961-12-12

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

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Advanced optical measurements for characterizing photophysical...

    Office of Scientific and Technical Information (OSTI)

    single molecule optical methods for improved control of nanomaterial functionalization. ... Finally, Raman fingerprinting of biological conjugates has been enabled by resonant signal ...

  1. Center for Nanophase Materials Sciences Strategic Plan

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

    ... overall theme of understanding and controlling the complexity of electronic, ionic, and molecular behavior at the nanoscale to enable the design of new functional nanomaterials. ...

  2. 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...

  3. 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...

  4. 1

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

    water-removal technique boosts performance of carbon nanomaterials March 23, 2016 ... amount of added water that collects between the oxygen-functionalized nanosheets. ...

  5. Novel water-removal technique boosts performance of carbon nanomateria...

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

    Technique boosts performance of carbon nanomaterials Novel water-removal technique boosts ... amount of added water that collects between the oxygen-functionalized nanosheets. ...

  6. Researchers Speak at American Chemical Society Meeting | GE Global...

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

    ... instrumentation, functional nanomaterials, bioinspired photonics, and wireless sensors. ... Most recent awards include 2010 Prism Award for photonics innovation by SPIE and Photonics ...

  7. 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.

  8. 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.

  9. Functional Area Qualification Standard Reference Guides

    Broader source: Energy.gov [DOE]

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

  10. Fire Protection Engineering Functional Area Qualification Standard

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

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

  11. 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...

  12. Polarized structure functions in nuclear matter

    SciTech Connect (OSTI)

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

    2011-10-24

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

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

    SciTech Connect (OSTI)

    Vorob'ev, A. I.

    2014-06-01

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

  14. Holography of gravitational action functionals

    SciTech Connect (OSTI)

    Mukhopadhyay, Ayan; Padmanabhan, T.

    2006-12-15

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

  15. 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.

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

    SciTech Connect (OSTI)

    Bell, M.

    1997-11-01

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

  17. Functional Encyclopedia of Bacteria and Archaea

    SciTech Connect (OSTI)

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

    2013-03-20

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

  18. 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.

  19. 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.

  20. 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.

  1. 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. ...

  2. Inorganic-organic hybrid semiconductor nanomaterials: (ZnSe)...

    Office of Scientific and Technical Information (OSTI)

    method in a ternary solution and characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectra, ultraviolet-visible ...

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

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

    (OFCVT). deer07vanderwal.pdf (6.56 MB) More Documents & Publications 21st Century Truck Partnership - Roadmap and Technical White Papers Appendix of Supporting ...

  4. 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.

  5. OSTIblog Articles in the nanomaterials Topic | OSTI, US Dept...

    Office of Scientific and Technical Information (OSTI)

    ribbons of colors from a fluorescent green to brilliant purple to a vivid crimson ... physics, chemistry, energy security, advanced space propulsion, and material science. ...

  6. Petascale Simulations of Self-Healing Nanomaterials | Argonne Leadership

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

    Computing Facility H2 production from water using a LiAl particle A 16,611-atom quantum molecular dynamics simulation on 786,432 Blue Gene/Q cores shows H2 production from water using a LiAl particle. The valance electron density (silver isosurface) is centered around Al atoms, whereas some of the Li atoms (red spheres) are dissolved into water. Produced H2 molecules are represented by green ellipsoids. Water molecules are not shown for clarity. Ken-ichi Nomura, University of Southern

  7. 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.

  8. 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.

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

    Office of Scientific and Technical Information (OSTI)

    The adsorbed content of the maltodextrin was characterized using thermogravimetric analysis (TGA). less Authors: Tallant, David Robert ; Lu, Ping ; Lambert, Timothy N. ; Bell, ...

  10. Bioremediation of nanomaterials (Patent) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    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 ...

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

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

    Jet-engine turbine blades are made of Ni-base superalloys, containing precipitate particles in the size ranges of (400-600) nm.These nano-precipitates (called g') attribute to the ...

  12. Petascale Simulations of Self-Healing Nanomaterials | Argonne...

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

    systems capable of sensing and repairing damage in harsh chemical environments and in ... Neutron Source at Oak Ridge, and X-ray Laser Source at Stanford) to provide a ...

  13. 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.

  14. Active Transport of Nanomaterials Using Motor Proteins -Final Report

    SciTech Connect (OSTI)

    Hess, Henry

    2005-09-01

    During the six months of funding we have focused first on the completion of the research begun at the University of Washington in the previous funding cycle. Specifically, we developed a method to polymerize oriented networks of microtubules on lithographically patterned surfaces (M.S. thesis Robert Doot). The properties of active transport have been studied detail, yielding insights into the dispersion mechanisms (Nitta et al.). The assembly of multifunctional structures with a microtubule core has been investigated (Ramachandran et al.). Isaac Luria (B.S. in physics, U. of Florida 2005) worked on the directed assembly of nanoscale, non-equilibrium structures as a summer intern. He is now a graduate student in my group at the University of Florida. T. Nitta and H. Hess: Dispersion in Active Transport by Kinesin-Powered Molecular Shuttles, Nano Letters, 5, 1337-1342 (2005) S. Ramachandran, K.-H. Ernst, G. D. Bachand, V. Vogel, H. Hess*: Selective Loading of Kinesin-Powered Molecular Shuttles with Protein Cargo and its Application to Biosensing, submitted to Small (2005)

  15. Quantitative, contactless electrical characterization of 1D nanomateri...

    Office of Scientific and Technical Information (OSTI)

    Close Cite: Bibtex Format Close 0 pages in this document matching the terms "" Search For Terms: Enter terms in the toolbar above to search the full text of this document for ...

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

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

    panels and composite structures * Photonics and Electronics - Smart materials, smart ... cellulose fibers AMO Focus Area II Photonics and Electronics: Smart materials, Smart ...

  17. The Tactical and Strategic Implementation of Sustainable Nanomaterials

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

    Maniac World Whispering Crane Institute x 100k 200 nm Tactical Implementation Have a Plan - Incremental Innovation Strategy Ensure Product Safety - Utilize Materials Known ...

  18. Nanomaterials: Organic and Inorganic for Next-Generation Diesel Technologies

    Office of Energy Efficiency and Renewable Energy (EERE)

    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).

  19. High performance batteries with carbon nanomaterials and ionic liquids

    DOE Patents [OSTI]

    Lu, Wen

    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.

  20. 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...

  1. 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.

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

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

  7. 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...

  8. Design Principles for Materials with Magnetic Functionality

    SciTech Connect (OSTI)

    Thompson, Joe David

    2015-11-05

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

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

    Office of Scientific and Technical Information (OSTI)

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

  10. Emergency Support Function #12; Energy Annex

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

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

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

    Office of Scientific and Technical Information (OSTI)

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

  12. 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...

  13. 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...

  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. Perturbation kernels for generalized seismological data functionals...

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

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

  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. 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...

  18. 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...

  19. 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...

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

    Office of Scientific and Technical Information (OSTI)

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

  1. 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.

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

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

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

  3. 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.

  4. 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.

  5. Network architecture functional description and design

    SciTech Connect (OSTI)

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

    1989-05-25

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

  6. 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.

  7. 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.

  8. 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.

  9. Low work function, stable thin films

    DOE Patents [OSTI]

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

    2000-01-01

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

  10. 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.

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

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

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

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

    Office of Scientific and Technical Information (OSTI)

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

  13. Weak measurement and Bohmian conditional wave functions

    SciTech Connect (OSTI)

    Norsen, Travis; Struyve, Ward

    2014-11-15

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

  14. Proton structure functions at small x

    SciTech Connect (OSTI)

    Hentschinski, Martin

    2015-01-01

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

  15. Proton structure functions at small x

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

    Hentschinski, Martin

    2015-01-01

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

  16. Surface-functionalized mesoporous carbon materials

    DOE Patents [OSTI]

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

    2016-02-02

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

  17. Loop expansion in a functional space

    SciTech Connect (OSTI)

    Kroger, H.; Labelle, P.

    1989-07-15

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

  18. 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.

  19. Physicochemically functional ultrathin films by interfacial polymerization

    DOE Patents [OSTI]

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

    1990-01-01

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

  20. 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.

  1. 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.

  2. Parallel 3D Fast Fourier Transform Functions

    Energy Science and Technology Software Center (OSTI)

    2008-12-19

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

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

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

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

  4. 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.

  5. 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.

  6. 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...

  7. Critical Assessment of Function Annotation Meeting, 2011

    SciTech Connect (OSTI)

    Friedberg, Iddo

    2015-01-21

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

  8. 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...

  9. 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.

  10. 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 ...

  11. 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.

  12. Structure functions and intrinsic quark orbital motion

    SciTech Connect (OSTI)

    Zavada, Petr

    2007-06-13

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

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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...

  19. Coulomb wave functions in momentum space

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

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

    2015-01-01

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

  20. Coulomb wave functions in momentum space

    SciTech Connect (OSTI)

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

    2015-01-01

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

  1. 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.

  2. Method of making low work function component

    DOE Patents [OSTI]

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

    2011-11-15

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

  3. 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}.

  4. 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.

  5. 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.

  6. Liquid Observation Well (LOW) Functional Design

    SciTech Connect (OSTI)

    Paul, B.

    1995-01-04

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

  7. 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.

  8. Functional Area Qualification Standard Job Task Analyses

    Broader source: Energy.gov [DOE]

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

  9. 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.

  10. PowerPoint Presentation

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

    / Office of Science / Nanoscale Science Research Centers Center for Nanoscale Materials / Argonne National Laboratory * Center for Functional Nanomaterials / Brookhaven National Laboratory The Molecular Foundry / Lawrence Berkeley National Laboratory * Center for Nanophase Materials Sciences / Oak Ridge National Laboratory Center for Integrated Nanotechnologies / Sandia National Laboratories and Los Alamos National Laboratory * Nanophotonics & Optical Nanomaterials - Synthesis, excitation

  11. 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.

  12. 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.

  13. 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.

  14. Infrared photoemitting diode having reduced work function

    DOE Patents [OSTI]

    Hirschfeld, Tomas B.

    1984-01-01

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

  15. 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.

  16. Radiation Protection Functional Area Qualification Standard

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

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

  17. dual-function | netl.doe.gov

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

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

  18. 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.

  19. 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

  20. Functional electrolyte for lithium-ion batteries

    DOE Patents [OSTI]

    Zhang, Lu; Zhang, Zhengcheng; Amine, Khalil

    2015-04-14

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

  1. Nuclear Safety Specialist Functional Area Qualification Standard

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

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

  2. Occupational Safety Functional Area Qualification Standard

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

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

  3. Quality Assurance Functional Area Qualification Standard

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

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

  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. 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

  6. Industrial Hygiene Functional Area Qualification Standard

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

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

  7. Instrumentation and Control Functional Area Qualification Standard

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

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

  8. The structure and function of presynaptic endosomes

    SciTech Connect (OSTI)

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

    2015-07-15

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

  9. 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.

  10. Maximum entropy models of ecosystem functioning

    SciTech Connect (OSTI)

    Bertram, Jason

    2014-12-05

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

  11. 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.

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

    Office of Scientific and Technical Information (OSTI)

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

  13. 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...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  16. 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 ...

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

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

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

  18. 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....

  19. 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,...

  20. 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...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Energy Savers [EERE]

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

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

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

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

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

  6. 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...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  10. 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...

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

    Office of Scientific and Technical Information (OSTI)

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

  12. 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...

  13. Smisc - A collection of miscellaneous functions

    SciTech Connect (OSTI)

    Landon Sego, PNNL

    2015-08-31

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

  14. 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

  15. 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.

  16. The circular velocity function of group galaxies

    SciTech Connect (OSTI)

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

    2014-09-20

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

  17. 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.

  18. A Green's function quantum average atom model

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

    Starrett, Charles Edward

    2015-05-21

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

  19. Accelerating functional verification of an integrated circuit

    SciTech Connect (OSTI)

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

    2015-10-27

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

  20. 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.

  1. 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.

  2. 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.

  3. Criticality Safety Functional Area Qualification Standard

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

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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

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

    SciTech Connect (OSTI)

    Hugo, Jacques

    2015-03-02

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

  9. 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

  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. 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.

  12. 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.

  13. 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.

  14. 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.

  15. Functionalized inorganic membranes for gas separation

    DOE Patents [OSTI]

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

    2008-07-08

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

  16. An Orientation Distribution Function for Trabecular Bone

    SciTech Connect (OSTI)

    Lawrence Livermore National Laboratory

    2004-10-08

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

  17. 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.

  18. 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.

  19. Arithmetic functions in torus and tree networks

    DOE Patents [OSTI]

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

    2007-12-25

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

  20. Guidance on Inherently Governmental Functions | Department of Energy

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

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

  1. 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

  2. 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.

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

    SciTech Connect (OSTI)

    Goryainov, Victor V; Kudryavtseva, Olga S

    2011-07-31

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

  4. Confidential balls minimizing in mean convex functional

    SciTech Connect (OSTI)

    Kaminsky, V.

    1994-12-31

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

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. Synthesis of functional materials in combustion reactions

    SciTech Connect (OSTI)

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

    2015-12-15

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

  14. Communication: Embedded fragment stochastic density functional theory

    SciTech Connect (OSTI)

    Neuhauser, Daniel; Baer, Roi; Rabani, Eran

    2014-07-28

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

  15. Hazard function theory for nonstationary natural hazards

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

    Read, Laura K.; Vogel, Richard M.

    2016-04-11

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

  16. 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.

  17. 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....

  18. 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.

  19. 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

  20. 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...

  1. On strongly GA-convex functions and stochastic processes

    SciTech Connect (OSTI)

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

    2014-08-20

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

  2. Functional performance requirements for seismic network upgrade

    SciTech Connect (OSTI)

    Lee, R.C.

    1991-08-18

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

  3. Development of pair distribution function analysis

    SciTech Connect (OSTI)

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

    1996-09-01

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

  4. 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.

  5. 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.

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

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

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

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

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

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

  8. 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.

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

    Office of Scientific and Technical Information (OSTI)

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

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

    DOE Patents [OSTI]

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

    2014-08-19

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

  11. 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

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

    Office of Scientific and Technical Information (OSTI)

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

  13. 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)

  14. 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.

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

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

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

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

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

  18. 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

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

    Office of Scientific and Technical Information (OSTI)

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

  20. 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.

  1. 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

  2. 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

  3. 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

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

    Office of Scientific and Technical Information (OSTI)

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

  5. 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.

  6. 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).

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

    SciTech Connect (OSTI)

    Sazdjian, H.

    2008-08-29

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

  8. 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).

  9. Inorganic-Organic Hybrid Thermoelectrics

    Broader source: Energy.gov [DOE]

    Large-scale synthesis of inorganic and organic nanomaterials (single-crystalline nanowires and functionalized conducting polymer thin films) together with strategies for large-scale assembly are discussed

  10. Iran Thomas Auditorium, 8600 Environmental Transmission Electron...

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

    for Catalysis Research: The Example of Carbon Nanotubes Eric A. Stach Center for Functional Nanomaterials Brookhaven National Laboratory CNMS D D I I S S C C O O V V E E R...

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

    SciTech Connect (OSTI)

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

    2014-03-28

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

  12. Quantum Newtonian cosmology and the biconfluent Heun functions

    SciTech Connect (OSTI)

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

    2015-09-15

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

  13. 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.

  14. 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.

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

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

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

  16. 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, ...

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

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

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

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

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

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

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

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

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

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

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  5. 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 ...

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

    SciTech Connect (OSTI)

    CONRADS, T.J.

    2000-01-12

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

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

  9. 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...

  10. 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 ...

  11. 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...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  15. Optimization of Gutzwiller wave functions in quantum Monte Carlo

    SciTech Connect (OSTI)

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

    1999-06-01

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

  16. 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...

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

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

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

  18. 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 ...

  19. 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.

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

    Office of Scientific and Technical Information (OSTI)

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

  1. 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...

  2. 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...

  3. 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...

  4. Defining the functional determinants for RNA surveillance by...

    Office of Scientific and Technical Information (OSTI)

    Defining the functional determinants for RNA surveillance by RIG-I Citation Details ... Research Org: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL ...

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

    Office of Scientific and Technical Information (OSTI)

    ...antitoxin systems in bacteria by shotgun cloning Citation Details In-Document Search Title: Discovery of functional toxinantitoxin systems in bacteria by shotgun cloning ...

  6. 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 ...

  7. An optimal point spread function subtraction algorithm for high...

    Office of Scientific and Technical Information (OSTI)

    An optimal point spread function subtraction algorithm for high-contrast imaging: a ... This image is built as a linear combination of all available images and is optimized ...

  8. Half-harmonic Kelvin probe force microscopy with transfer function...

    Office of Scientific and Technical Information (OSTI)

    Using linear and half-harmonic BE enables quantitative correction of the cantilever transfer function. Half-harmonic band excitation Kelvin probe force microscopy (HBE KPFM) thus ...

  9. Pseudorandom functions revisited: The cascade construction and its concrete security

    SciTech Connect (OSTI)

    Bellare, M.; Canetti, R.; Krawczyk, H.

    1996-12-31

    Pseudorandom function families are a powerful cryptographic primitive, yielding, in particular, simple solutions for the main problems in private key cryptography. Their existence based on general assumptions (namely, the existence of one-way functions) has been established. In this work we investigate new ways of designing pseudorandom function families. The goal is to find constructions that are both efficient and secure, and thus eventually to bring the benefits of pseudorandom functions to practice. The basic building blocks in our design are certain limited versions of pseudorandom function families, called finite-length input pseudorandom function families, for which very efficient realizations exist in practical cryptography. Thus rather than starting from one-way functions, we propose constructions of {open_quote}full-fledged{close_quotes} pseudorandom function families from these limited ones. In particular we propose the cascade construction, and provide a concrete security analysis which relates the strength of the cascade to that of the underlying finite pseudorandom function family in a precise and quantitative way.

  10. 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...

  11. National Rotor Testbed Functional Scaling Presented at American...

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

    Functional Scaling Presented at American Institute of Aeronautics and Astronautics 2014 ... Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, ...

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

    Office of Scientific and Technical Information (OSTI)

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

  13. 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...

  14. 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.

  15. 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,...

  16. 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: ...

  17. Directed Organization of Functional Materials at Inorganic-Macromolecu...

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

    Directed Organization of Functional Materials at Inorganic-Macromolecular Interfaces Research The purpose of this project is to develop a quantitative physical picture of...

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

    Office of Scientific and Technical Information (OSTI)

    Title: Deep Bed Adsorption Testing using Silver-Functionalized Aerogel Nuclear fission ... Subject: 12 MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES ...

  19. 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...

  20. 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...