National Library of Energy BETA

Sample records for highly structured biomimetic

  1. Borrowing from Nature to Produce Highly Structured Biomimetic Materials

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

    Borrowing from Nature to Produce Highly Structured Biomimetic Materials Borrowing from Nature to Produce Highly Structured Biomimetic Materials Print Wednesday, 27 June 2012 00:00 Doing Nature One Better Biological tissues such as those that make up our organs are amazing feats of structural engineering. Even more fantastic, the tissues assemble themselves from building blocks based on the proteins that cells synthesize without any outside direction. And, if this isn't mind-boggling enough,

  2. Borrowing from Nature to Produce Highly Structured Biomimetic Materials

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

    Borrowing from Nature to Produce Highly Structured Biomimetic Materials Print Doing Nature One Better Biological tissues such as those that make up our organs are amazing feats of structural engineering. Even more fantastic, the tissues assemble themselves from building blocks based on the proteins that cells synthesize without any outside direction. And, if this isn't mind-boggling enough, consider how all this takes place over large distances with both precision and accuracy. Chemists and

  3. Borrowing from Nature to Produce Highly Structured Biomimetic Materials

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

    Borrowing from Nature to Produce Highly Structured Biomimetic Materials Print Doing Nature One Better Biological tissues such as those that make up our organs are amazing feats of structural engineering. Even more fantastic, the tissues assemble themselves from building blocks based on the proteins that cells synthesize without any outside direction. And, if this isn't mind-boggling enough, consider how all this takes place over large distances with both precision and accuracy. Chemists and

  4. Borrowing from Nature to Produce Highly Structured Biomimetic Materials

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

    Borrowing from Nature to Produce Highly Structured Biomimetic Materials Print Doing Nature One Better Biological tissues such as those that make up our organs are amazing feats of structural engineering. Even more fantastic, the tissues assemble themselves from building blocks based on the proteins that cells synthesize without any outside direction. And, if this isn't mind-boggling enough, consider how all this takes place over large distances with both precision and accuracy. Chemists and

  5. Borrowing from Nature to Produce Highly Structured Biomimetic Materials

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

    Borrowing from Nature to Produce Highly Structured Biomimetic Materials Print Doing Nature One Better Biological tissues such as those that make up our organs are amazing feats of structural engineering. Even more fantastic, the tissues assemble themselves from building blocks based on the proteins that cells synthesize without any outside direction. And, if this isn't mind-boggling enough, consider how all this takes place over large distances with both precision and accuracy. Chemists and

  6. Borrowing from Nature to Produce Highly Structured Biomimetic Materials

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

    Borrowing from Nature to Produce Highly Structured Biomimetic Materials Print Doing Nature One Better Biological tissues such as those that make up our organs are amazing feats of structural engineering. Even more fantastic, the tissues assemble themselves from building blocks based on the proteins that cells synthesize without any outside direction. And, if this isn't mind-boggling enough, consider how all this takes place over large distances with both precision and accuracy. Chemists and

  7. Borrowing from Nature to Produce Highly Structured Biomimetic Materials

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

    Borrowing from Nature to Produce Highly Structured Biomimetic Materials Print Doing Nature One Better Biological tissues such as those that make up our organs are amazing feats of structural engineering. Even more fantastic, the tissues assemble themselves from building blocks based on the proteins that cells synthesize without any outside direction. And, if this isn't mind-boggling enough, consider how all this takes place over large distances with both precision and accuracy. Chemists and

  8. Borrowing from Nature to Produce Highly Structured Biomimetic Materials

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

    Borrowing from Nature to Produce Highly Structured Biomimetic Materials Print Doing Nature One Better Biological tissues such as those that make up our organs are amazing feats of structural engineering. Even more fantastic, the tissues assemble themselves from building blocks based on the proteins that cells synthesize without any outside direction. And, if this isn't mind-boggling enough, consider how all this takes place over large distances with both precision and accuracy. Chemists and

  9. Borrowing from Nature to Produce Highly Structured Biomimetic...

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

    tissues such as those that make up our organs are amazing feats of structural engineering. ... these structures appear to correlate strongly with tissue properties and functionalities. ...

  10. Self-Assembled Biomimetic Nanostructured Anti-Reflection Coatings for Highly Efficient Crystalline Silicon Solar Cells

    SciTech Connect (OSTI)

    2009-04-01

    This factsheet describes a study that will further develop the structure-property relationship understanding and performance testing of biomimetic nanostructured ARCs produced by a robust templating nanofabrication platform that combines the simplicity and cost benefits of bottom-up self-assembly with the scalability and compatibility of top-down microfabrication.

  11. S09 Symposium KK, Structure-Property Relationships in Biomineralized and Biomimetic Composites

    SciTech Connect (OSTI)

    David Kisailus; Lara Estroff; Himadri S. Gupta; William J. Landis; Pablo D. Zavattieri

    2010-06-07

    The technical presentations and discussions at this symposium disseminated and assessed current research and defined future directions in biomaterials research, with a focus on structure-function relationships in biological and biomimetic composites. The invited and contributed talks covered a diverse range of topics from fundamental biology, physics, chemistry, and materials science to potential applications in developing areas such as light-weight composites, multifunctional and smart materials, biomedical engineering, and nanoscaled sensors. The invited speakers were chosen to create a stimulating program with a mixture of established and junior faculty, industrial and academic researchers, and American and international experts in the field. This symposium served as an excellent introduction to the area for younger scientists (graduate students and post-doctoral researchers). Direct interactions between participants also helped to promote potential future collaborations involving multiple disciplines and institutions.

  12. A novel biomimetic approach to the design of high-performance ceramic/metal composites

    SciTech Connect (OSTI)

    Launey, Maximilien E.; Munch, Etienne; Alsem, Daan Hein; Saiz, Eduardo; Tomsia, Antoni P.; Ritchie, Robert O.

    2009-08-01

    The prospect of extending natural biological design to develop new synthetic ceramic-metal composite materials is examined. Using ice-templating of ceramic suspensions and subsequent metal infiltration, we demonstrate that the concept of ordered hierarchical design can be applied to create fine-scale laminated ceramic-metal (bulk) composites that are inexpensive, lightweight and display exceptional damage-tolerance properties. Specifically, Al{sub 2}O{sub 3}/Al-Si laminates with ceramic contents up to approximately 40 vol% and with lamellae thicknesses down to 10 {micro}m were processed and characterized. These structures achieve an excellent fracture toughness of 40 MPa{radical}m at a tensile strength of approximately 300 MPa. Salient toughening mechanisms are described together with further toughening strategies.

  13. Biomimetic hydrogel materials

    DOE Patents [OSTI]

    Bertozzi, Carolyn; Mukkamala, Ravindranath; Chen, Qing; Hu, Hopin; Baude, Dominique

    2000-01-01

    Novel biomimetic hydrogel materials and methods for their preparation. Hydrogels containing acrylamide-functionalized carbohydrate, sulfoxide, sulfide or sulfone copolymerized with a hydrophilic or hydrophobic copolymerizing material selected from the group consisting of an acrylamide, methacrylamide, acrylate, methacrylate, vinyl and a derivative thereof present in concentration from about 1 to about 99 wt %. and methods for their preparation. The method of use of the new hydrogels for fabrication of soft contact lenses and biomedical implants.

  14. Biomimetic Hydrogel Materials

    DOE Patents [OSTI]

    Bertozzi, Carolyn , Mukkamala, Ravindranath , Chen, Oing , Hu, Hopin , Baude, Dominique

    2003-04-22

    Novel biomimetic hydrogel materials and methods for their preparation. Hydrogels containing acrylamide-functionalized carbohydrate, sulfoxide, sulfide or sulfone copolymerized with a hydrophilic or hydrophobic copolymerizing material selected from the group consisting of an acrylamide, methacrylamide, acrylate, methacrylate, vinyl and a derivative thereof present in concentration from about 1 to about 99 wt %. and methods for their preparation. The method of use of the new hydrogels for fabrication of soft contact lenses and biomedical implants.

  15. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  16. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  17. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  18. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  19. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  20. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  1. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  2. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  3. Biomimetic Chalcogels for Solar Fuel Catalysis | ANSER Center...

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

    Biomimetic Chalcogels for Solar Fuel Catalysis Home > Research > ANSER Research Highlights > Biomimetic Chalcogels for Solar Fuel Catalysis...

  4. Biomimetic processing of oriented crystalline ceramic layers

    SciTech Connect (OSTI)

    Cesarano, J.; Shelnutt, J.A.

    1997-10-01

    The aim of this project was to develop the capabilities for Sandia to fabricate self assembled Langmuir-Blodgett (LB) films of various materials and to exploit their two-dimensional crystalline structure to promote the growth of oriented thin films of inorganic materials at room temperature. This includes the design and synthesis of Langmuir-active (amphiphilic) organic molecules with end groups offering high nucleation potential for various ceramics. A longer range goal is that of understanding the underlying principles, making it feasible to use the techniques presented in this report to fabricate unique oriented films of various materials for electronic, sensor, and membrane applications. Therefore, whenever possible, work completed in this report was completed with the intention of addressing the fundamental phenomena underlying the growth of crystalline, inorganic films on template layers of highly organized organic molecules. This problem was inspired by biological processes, which often produce exquisitely engineered structures via templated growth on polymeric layers. Seashells, for example, exhibit great toughness owing to their fine brick-and-mortar structure that results from templated growth of calcium carbonate on top of layers of ordered organic proteins. A key goal in this work, therefore, is to demonstrate a positive correlation between the order and orientation of the template layer and that of the crystalline ceramic material grown upon it. The work completed was comprised of several parallel efforts that encompassed the entire spectrum of biomimetic growth from solution. Studies were completed on seashells and the mechanisms of growth for calcium carbonate. Studies were completed on the characterization of LB films and the capability developed for the in-house fabrication of these films. Standard films of fatty acids were studied as well as novel polypeptides and porphyrins that were synthesized.

  5. Biomimetic catalysts responsive to specific chemical signals

    SciTech Connect (OSTI)

    Zhao, Yan

    2015-03-04

    Part 1. Design of Biomimetic Catalysts Based on Amphiphilic Systems The overall objective of our research is to create biomimetic catalysts from amphiphilic molecules. More specifically, we aim to create supramolecular systems that can be used to control the microenvironment around a catalytic center in a biomimetic fashion and apply the learning to construct supramolecular catalysts with novel functions found in enzymatic catalysts. We have prepared synthetic molecules (i.e., foldamers) that could fold into helical structures with nanometer-sized internal hydrophilic cavities. Cavities of this size are typically observed only in the tertiary and quaternary structures of proteins but were formed in our foldamer prepared in just a few steps from the monomer. Similar to many proteins, our foldamers displayed cooperativity in the folding/unfolding equilibrium and followed a two-state conformational transition. In addition, their conformational change could be triggered by solvent polarity, pH, or presence of metal ions and certain organic molecules. We studied their environmentally dependent conformational changes in solutions, surfactant micelles, and lipid bilayer membranes. Unlike conventional rigid supramolecular host, a foldamer undergoes conformational change during guest binding. Our study in the molecular recognition of an oligocholate host yielded some extremely exciting results. Cooperativity between host conformation and host–guest interactions was found to “magnify” weak binding interactions. In other words, since binding affinity is determined by the overall change of free energy during the binding, guest-induced conformational change of the host, whether near or far from the binding site, affects the binding. This study has strong implications in catalysis because enzymes have been hypothesized to harvest similar intramolecular forces to strengthen their binding with the transition state of an enzyme-catalyzed reaction. The supramolecular and

  6. Biomimetic Chalcogels for Solar Fuel Catalysis | ANSER Center |

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

    Argonne-Northwestern National Laboratory Biomimetic Chalcogels for Solar Fuel Catalysis Home > Research > ANSER Research Highlights > Biomimetic Chalcogels for Solar Fuel Catalysis

  7. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell...

  8. 9-Fluorenylmethyl (Fm) Disulfides: Biomimetic Precursors for...

    Office of Scientific and Technical Information (OSTI)

    9-Fluorenylmethyl (Fm) Disulfides: Biomimetic Precursors for Persulfides This content will become publicly available on February 12, 2017 Title: 9-Fluorenylmethyl (Fm) Disulfides: ...

  9. Biomimetic peptoid polymers

    DOE Patents [OSTI]

    Zuckermann, Ronald N.; Chu, Tammy K.; Nam, Ki Tae

    2015-07-07

    The present invention provides for novel peptoid oligomers that are capable of self-assembling into two-dimensional sheet structures. The peptoid oligomers can have alternately hydrophilic or polar side-chains and hydrophobic or apolar side-chains. The peptoid oligomers, and the two-dimensional sheet structures, can be applied to biological applications where the peptoid plays a role as a biological scaffold or building block. Also, the two-dimensional sheet structures of the present invention can be used as two-dimensional nanostructures in device applications.

  10. High temperature structural insulating material

    DOE Patents [OSTI]

    Chen, W.Y.

    1984-07-27

    A high temperature structural insulating material useful as a liner for cylinders of high temperature engines through the favorable combination of high service temperature (above about 800/sup 0/C), low thermal conductivity (below about 0.2 W/m/sup 0/C), and high compressive strength (above about 250 psi). The insulating material is produced by selecting hollow ceramic beads with a softening temperature above about 800/sup 0/C, a diameter within the range of 20-200 ..mu..m, and a wall thickness in the range of about 2 to 4 ..mu..m; compacting the beads and a compatible silicate binder composition under pressure and sintering conditions to provide the desired structural form with the structure having a closed-cell, compact array of bonded beads.

  11. High temperature structural insulating material

    DOE Patents [OSTI]

    Chen, Wayne Y.

    1987-01-01

    A high temperature structural insulating material useful as a liner for cylinders of high temperature engines through the favorable combination of high service temperature (above about 800.degree. C.), low thermal conductivity (below about 0.2 W/m.degree. C.), and high compressive strength (above about 250 psi). The insulating material is produced by selecting hollow ceramic beads with a softening temperature above about 800.degree. C., a diameter within the range of 20-200 .mu.m, and a wall thickness in the range of about 2-4 .mu.m; compacting the beads and a compatible silicate binder composition under pressure and sintering conditions to provide the desired structural form with the structure having a closed-cell, compact array of bonded beads.

  12. High temperature turbine engine structure

    DOE Patents [OSTI]

    Boyd, Gary L.

    1991-01-01

    A high temperature turbine engine includes a rotor portion having axially stacked adjacent ceramic rotor parts. A ceramic/ceramic joint structure transmits torque between the rotor parts while maintaining coaxial alignment and axially spaced mutually parallel relation thereof despite thermal and centrifugal cycling.

  13. High temperature turbine engine structure

    DOE Patents [OSTI]

    Boyd, Gary L.

    1990-01-01

    A high temperature turbine engine includes a hybrid ceramic/metallic rotor member having ceramic/metal joint structure. The disclosed joint is able to endure higher temperatures than previously possible, and aids in controlling heat transfer in the rotor member.

  14. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Biomimetic Dye Molecules for Solar Cells Print Wednesday, 28 April 2010 00:00 Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most

  15. Embedded high-contrast distributed grating structures

    DOE Patents [OSTI]

    Zubrzycki, Walter J.; Vawter, Gregory A.; Allerman, Andrew A.

    2002-01-01

    A new class of fabrication methods for embedded distributed grating structures is claimed, together with optical devices which include such structures. These new methods are the only known approach to making defect-free high-dielectric contrast grating structures, which are smaller and more efficient than are conventional grating structures.

  16. An Investigation into the Effects of Interface Stress and Interfacial Arrangement on Temperature Dependent Thermal Properties of a Biological and a Biomimetic Material

    SciTech Connect (OSTI)

    Tomar, Vikas

    2015-01-13

    A significant effort in the biomimetic materials research is on developing materials that can mimic and function in the same way as biological tissues, on bio-inspired electronic circuits, on bio-inspired flight structures, on bio-mimetic materials processing, and on structural biomimetic materials, etc. Most structural biological and biomimetic material properties are affected by two primary factors: (1) interfacial interactions between an organic and an inorganic phase usually in the form of interactions between an inorganic mineral phase and organic protein network; and (2) structural arrangement of the constituents. Examples are exoskeleton structures such as spicule, nacre, and crustacean exoskeletons. A significant effort is being directed towards making synthetic biomimetic materials based on a manipulation of the above two primary factors. The proposed research is based on a hypothesis that in synthetic materials with biomimetic morphology thermal conductivity, k, (how fast heat is carried away) and thermal diffusivity, D, (how fast a material’s temperature rises: proportional to the ratio of k and heat capacity) can be engineered to be either significantly low or significantly high based on a combination of chosen interface orientation and interfacial arrangement in comparison to conventional material microstructures with the same phases and phase volume fractions. METHOD DEVELOPMENT 1. We have established a combined Raman spectroscopy and nanomechanical loading based experimental framework to perform environment (liquid vs. air vs. vacuum) dependent and temperature dependent (~1000 degree-C) in-situ thermal diffusivity measurements in biomaterials at nanoscale to micron scale along with the corresponding analytical theoretic calculations. (Zhang and Tomar, 2013) 2. We have also established a new classical molecular simulation based framework to measure thermal diffusivity in biomolecular interfaces. We are writing a publication currently (Qu and Tomar

  17. Crump Geyser: High Precision Geophysics & Detailed Structural...

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

    Exploration & Slim Well Drilling Crump Geyser: High Precision Geophysics & Detailed Structural Exploration & Slim Well Drilling DOE Geothermal Peer Review 2010 - Presentation. ...

  18. ECIS-UNM: Biomimetic Membranes for Water Purification

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

    ... Reverse osmosis (RO) is currently the best method of desalination (making fresh water from ... A nanoporous biomimetic membrane on a nanostructured support used for water desalination ...

  19. Conformal coating of highly structured surfaces

    DOE Patents [OSTI]

    Ginley, David S.; Perkins, John; Berry, Joseph; Gennett, Thomas

    2012-12-11

    Method of applying a conformal coating to a highly structured substrate and devices made by the disclosed methods are disclosed. An example method includes the deposition of a substantially contiguous layer of a material upon a highly structured surface within a deposition process chamber. The highly structured surface may be associated with a substrate or another layer deposited on a substrate. The method includes depositing a material having an amorphous structure on the highly structured surface at a deposition pressure of equal to or less than about 3 mTorr. The method may also include removing a portion of the amorphous material deposited on selected surfaces and depositing additional amorphous material on the highly structured surface.

  20. High temperature turbine engine structure

    DOE Patents [OSTI]

    Carruthers, William D.; Boyd, Gary L.

    1992-01-01

    A high temperature ceramic/metallic turbine engine includes a metallic housing which journals a rotor member of the turbine engine. A ceramic disk-like shroud portion of the engine is supported on the metallic housing portion and maintains a close running clearance with the rotor member. A ceramic spacer assembly maintains the close running clearance of the shroud portion and rotor member despite differential thermal movements between the shroud portion and metallic housing portion.

  1. High temperature turbine engine structure

    DOE Patents [OSTI]

    Carruthers, William D.; Boyd, Gary L.

    1993-01-01

    A high temperature ceramic/metallic turbine engine includes a metallic housing which journals a rotor member of the turbine engine. A ceramic disk-like shroud portion of the engine is supported on the metallic housing portion and maintains a close running clearance with the rotor member. A ceramic spacer assembly maintains the close running clearance of the shroud portion and rotor member despite differential thermal movements between the shroud portion and metallic housing portion.

  2. High temperature turbine engine structure

    DOE Patents [OSTI]

    Carruthers, William D.; Boyd, Gary L.

    1994-01-01

    A high temperature ceramic/metallic turbine engine includes a metallic housing which journals a rotor member of the turbine engine. A ceramic disk-like shroud portion of the engine is supported on the metallic housing portion and maintains a close running clearance with the rotor member. A ceramic spacer assembly maintains the close running clearance of the shroud portion and rotor member despite differential thermal movements between the shroud portion and metallic housing portion.

  3. Facile one-pot synthesis of porphyrin based porous polymer networks (PPNs) as biomimetic catalysts

    SciTech Connect (OSTI)

    Zou, LF; Feng, DW; Liu, TF; Chen, YP; Fordham, S; Yuan, S; Tian, J; Zhou, HC

    2015-01-01

    Stable porphyrin based porous polymer networks, PPN-23 and PPN-24, have been synthesized through a facile one-pot approach by the aromatic substitution reactions of pyrrole and aldehydes. PPN-24(Fe) shows high catalytic efficiency as a biomimetic catalyst in the oxidation reaction of 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) in the presence of H2O2.

  4. Solid state NMR method development and studies of biological and biomimetic nanocomposites

    SciTech Connect (OSTI)

    Hu, Yanyan

    2011-02-07

    This thesis describes application and development of advanced solid-state nuclear magnetic resonance techniques for complex materials, in particular organic-inorganic nanocomposites and thermoelectric tellurides. The apatite-collagen interface, essential for understanding the biomineralization process in bone and engineering the interface for controlled bio-mimetic synthesis and optimized mechanical properties, is buried within the nanocomposite of bone. We used multinuclear solid-state NMR to study the composition and structure of the interface. Citrate has been identified as the main organic molecule strongly bound to the apatite surface with a density of 1/(2 nm){sup 2}, covering 1/6 of the total surface area in bovine bone. Citrate provides more carboxylate groups, one of the key functional groups found to affect apatite nucleation and growth, than all the non-collagenous proteins all together in bone; thus we propose that citrate stabilizes apatite crystals at a very small thickness of {approx}3 nm (4 unit cells) to increase bone fracture tolerance. The hypothesis has been confirmed in vitro by adding citrate in the bio-mimetic synthesis of polymerhydroxyapatite nanocomposites. The results have shown that the size of hydroxyapatite nanocrystals decreases as increasing citrate concentration. With citrate concentrations comparable to that in body fluids, similar-sized nanocrystals as in bone have been produced. Besides the dimensions of the apatite crystals, the composition of bone also affects its biofunctional and macroscopic mechanical properties; therefore, our team also extended its effort to enhance the inorganic portion in our bio-mimetic synthesis from originally 15 wt% to current 50 wt% compared to 65 wt% in bovine bone, by using Lysine-Leucine hydroxyapatite nucleating diblock co-polypeptide, which forms a gel at very low concentration. In this thesis, various advanced solid state NMR techniques have been employed to characterize nanocomposites

  5. High temperature ceramic/metal joint structure

    DOE Patents [OSTI]

    Boyd, Gary L.

    1991-01-01

    A high temperature turbine engine includes a hybrid ceramic/metallic rotor member having ceramic/metal joint structure. The disclosed joint is able to endure higher temperatures than previously possible, and aids in controlling heat transfer in the rotor member.

  6. Metal-Organic Frameworks as Biomimetic Catalysts | Center for...

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

    Abstract: In this Minireview, we have summarized the recent progress of biomimetic catalysis in the field of metal-organic frameworks (MOFs) with a focus on the implantation of...

  7. Ablation Casting Evaluation for High Volume Structural Castings...

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

    Ablation Casting Evaluation for High Volume Structural Castings Ablation Casting Evaluation for High Volume Structural Castings 2012 DOE Hydrogen and Fuel Cells Program and Vehicle ...

  8. Method for nanomachining high aspect ratio structures

    DOE Patents [OSTI]

    Yun, Wenbing; Spence, John; Padmore, Howard A.; MacDowell, Alastair A.; Howells, Malcolm R.

    2004-11-09

    A nanomachining method for producing high-aspect ratio precise nanostructures. The method begins by irradiating a wafer with an energetic charged-particle beam. Next, a layer of patterning material is deposited on one side of the wafer and a layer of etch stop or metal plating base is coated on the other side of the wafer. A desired pattern is generated in the patterning material on the top surface of the irradiated wafer using conventional electron-beam lithography techniques. Lastly, the wafer is placed in an appropriate chemical solution that produces a directional etch of the wafer only in the area from which the resist has been removed by the patterning process. The high mechanical strength of the wafer materials compared to the organic resists used in conventional lithography techniques with allows the transfer of the precise patterns into structures with aspect ratios much larger than those previously achievable.

  9. Structure of a High-Affinity

    SciTech Connect (OSTI)

    Saphire, E.O.; Montero, M.; Menendez, A.; Houten, N.E.van; Irving, M.B.; Pantophlet, R.; Swick, M.B.; Parren, P.W.H.I.; Burton, D.R.; Scott, J.K.; Wilson, I.A.; /Scripps Res. Inst. /Simon Fraser U. /British Columbia U.

    2007-07-13

    The human antibody b12 recognizes a discontinuous epitope on gp120 and is one of the rare monoclonal antibodies that neutralize a broad range of primary human immunodeficiency virus type 1 (HIV-1) isolates. We previously reported the isolation of B2.1, a dimeric peptide that binds with high specificity to b12 and competes with gp120 for b12 antibody binding. Here, we show that the affinity of B2.1 was improved 60-fold over its synthetic-peptide counterpart by fusing it to the N terminus of a soluble protein. This affinity, which is within an order of magnitude of that of gp120, probably more closely reflects the affinity of the phage-borne peptide. The crystal structure of a complex between Fab of b12 and B2.1 was determined at 1.8 Angstrom resolution. The structural data allowed the differentiation of residues that form critical contacts with b12 from those required for maintenance of the antigenic structure of the peptide, and revealed that three contiguous residues mediate B2.1's critical contacts with b12. This single region of critical contact between the B2.1 peptide and the b12 paratope is unlikely to mimic the discontinuous key binding residues involved in the full b12 epitope for gp120, as previously identified by alanine scanning substitutions on the gp120 surface. These structural observations are supported by experiments that demonstrate that B2.1 is an ineffective immunogenic mimic of the b12 epitope on gp120. Indeed, an extensive series of immunizations with B2.1 in various forms failed to produce gp120 cross-reactive sera. The functional and structural data presented here, however, suggest that the mechanism by which b12 recognizes the two antigens is very different. Here, we present the first crystal structure of peptide bound to an antibody that was originally raised against a discontinuous protein epitope. Our results highlight the challenge of producing immunogens that mimic discontinuous protein epitopes, and the necessity of combining

  10. Spin structure in high energy processes: Proceedings

    SciTech Connect (OSTI)

    DePorcel, L.; Dunwoodie, C.

    1994-12-01

    This report contains papers as the following topics: Spin, Mass, and Symmetry; physics with polarized Z{sup 0}s; spin and precision electroweak physics; polarized electron sources; polarization phenomena in quantum chromodynamics; polarized lepton-nucleon scattering; polarized targets in high energy physics; spin dynamics in storage rings and linear accelerators; spin formalism and applications to new physics searches; precision electroweak physics at LEP; recent results on heavy flavor physics from LEP experiments using 1990--1992 data; precise measurement of the left-right cross section asymmetry in Z boson production by electron-positron collisions; preliminary results on heavy flavor physics at SLD; QCD tests with SLD and polarized beams; recent results from TRISTAN at KEK; recent B physics results from CLEO; searching for the H dibaryon at Brookhaven; recent results from the compton observatory; the spin structure of the deuteron; spin structure of the neutron ({sup 3}HE) and the Bjoerken sum rule; a consumer`s guide to lattice QCD results; top ten models constrained by b {yields} sy; a review of the Fermilab fixed target program; results from the D0 experiment; results from CDF at FNAL; quantum-mechanical suppression of bremsstrahlung; report from the ZEUS collaboration at HERA; physics from the first year of H1 at HERA, and hard diffraction. These papers have been cataloged separately elsewhere.

  11. Robust, High-Throughput Analysis of Protein Structures

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

    Robust, High-Throughput Analysis of Protein Structures Print Scientists have developed a fast and efficient way to determine the structure of proteins, shortening a process that...

  12. Biomimetic model for [FeFe]-hydrogenase: Asymmetrically disubstituted

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

    diiron complex with a redox-active 2,2'-bipyridyl ligand Biomimetic model for [FeFe]-hydrogenase: Asymmetrically disubstituted diiron complex with a redox-active 2,2'-bipyridyl ligand Authors: Roy, S., Groy, T., Jones, A.K. Title: Biomimetic model for [FeFe]-hydrogenase: Asymmetrically disubstituted diiron complex with a redox-active 2,2'-bipyridyl ligand Source: Dalton Transactions Year: 2013 Volume: 42 Pages: 3843-3853 ABSTRACT: [FeFe]-hydrogenases feature a unique active site in which the

  13. Synthesis, Structure, and Electrochemical Performance of High...

    Office of Scientific and Technical Information (OSTI)

    While neither endmember shows good cycling stability, the intermediate composition, ... to follow the chemical and structural changes that occur as a function of cell voltage. ...

  14. High School Co-op Program Salary Structure

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

    Salary Structure High School Co-op Program Salary Structure Point your career towards Los Alamos Lab: work with the best minds on the planet in an inclusive environment that is rich in intellectual vitality and opportunities for growth. Contact Student Programs (505) 667-4866 Email High school internship program salary structure Program Description Yearly Hourly High school intern High school senior $21,320/yr $10.25/hr Post HS graduate High school graduate (limited to 90-day appointment)

  15. High School Co-op Program Salary Structure

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

    Salary Structure High School Co-op Program Salary Structure Point your career towards Los Alamos Lab: work with the best minds on the planet in an inclusive environment that is...

  16. Robust, High-Throughput Analysis of Protein Structures

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

    Robust, High-Throughput Analysis of Protein Structures Robust, High-Throughput Analysis of Protein Structures Print Wednesday, 28 October 2009 00:00 Scientists have developed a fast and efficient way to determine the structure of proteins, shortening a process that often takes years into a matter of days. The Structurally Integrated BiologY for Life Sciences (SIBYLS) beamline at the ALS has implemented the world's highest-throughput biological-solution x-ray scattering beamline enabling

  17. High performance hybrid magnetic structure for biotechnology applications

    DOE Patents [OSTI]

    Humphries, David E.; Pollard, Martin J.; Elkin, Christopher J.

    2006-12-12

    The present disclosure provides a high performance hybrid magnetic structure made from a combination of permanent magnets and ferromagnetic pole materials which are assembled in a predetermined array. The hybrid magnetic structure provides for separation and other biotechnology applications involving holding, manipulation, or separation of magnetic or magnetizable molecular structures and targets. Also disclosed are: a method of assembling the hybrid magnetic plates, a high throughput protocol featuring the hybrid magnetic structure, and other embodiments of the ferromagnetic pole shape, attachment and adapter interfaces for adapting the use of the hybrid magnetic structure for use with liquid handling and other robots for use in high throughput processes.

  18. High performance hybrid magnetic structure for biotechnology applications

    DOE Patents [OSTI]

    Humphries, David E; Pollard, Martin J; Elkin, Christopher J

    2005-10-11

    The present disclosure provides a high performance hybrid magnetic structure made from a combination of permanent magnets and ferromagnetic pole materials which are assembled in a predetermined array. The hybrid magnetic structure provides means for separation and other biotechnology applications involving holding, manipulation, or separation of magnetizable molecular structures and targets. Also disclosed are: a method of assembling the hybrid magnetic plates, a high throughput protocol featuring the hybrid magnetic structure, and other embodiments of the ferromagnetic pole shape, attachment and adapter interfaces for adapting the use of the hybrid magnetic structure for use with liquid handling and other robots for use in high throughput processes.

  19. High performance corrosion-resistant structural steels

    SciTech Connect (OSTI)

    Fletcher, F.B.; Ferry, B.N.; Beblo, D.G.

    1995-12-31

    A new corrosion-resistant structural steel named Duracorr was developed for low maintenance when compared to conventional structural steels. The new stainless steel is a dual phase composition between the established 12% Cr, ferritic T409 and martensitic T410 grades. Attractive combinations of hardness, strength, toughness, weldability and formability are derived from a microstructure that is a dual phase mixture of ferrite and martensite. The Duracorr composition, UNS S41003, provides for a microstructure of ferrite and austenite to be present throughout the hot rolling process. Cooling to room temperature causes transformation of the austenite to martensite. Subsequent tempering of the steel creates minimum mechanical properties of 275 MPa (40 ksi) yield strength and 455 MPa (66 ksi) tensile strength with room temperature longitudinal Charpy impact values typically greater than 34 J (25 ft-lbs).

  20. On-clip high frequency reliability and failure test structures

    DOE Patents [OSTI]

    Snyder, E.S.; Campbell, D.V.

    1997-04-29

    Self-stressing test structures for realistic high frequency reliability characterizations. An on-chip high frequency oscillator, controlled by DC signals from off-chip, provides a range of high frequency pulses to test structures. The test structures provide information with regard to a variety of reliability failure mechanisms, including hot-carriers, electromigration, and oxide breakdown. The system is normally integrated at the wafer level to predict the failure mechanisms of the production integrated circuits on the same wafer. 22 figs.

  1. On-clip high frequency reliability and failure test structures

    DOE Patents [OSTI]

    Snyder, Eric S.; Campbell, David V.

    1997-01-01

    Self-stressing test structures for realistic high frequency reliability characterizations. An on-chip high frequency oscillator, controlled by DC signals from off-chip, provides a range of high frequency pulses to test structures. The test structures provide information with regard to a variety of reliability failure mechanisms, including hot-carriers, electromigration, and oxide breakdown. The system is normally integrated at the wafer level to predict the failure mechanisms of the production integrated circuits on the same wafer.

  2. The Gadonanotubes: Structural Origin of their High-Performance...

    Office of Scientific and Technical Information (OSTI)

    Title: The Gadonanotubes: Structural Origin of their High-Performance MRI Contrast Agent Behavior Authors: Ma, Qing ; Jebb, Meghan ; Tweedle, Michael F. ; Wilson, Lon J. 1 ; NWU) ...

  3. The Effects of Highly Structured Low Density Carbon Nanotube...

    Office of Scientific and Technical Information (OSTI)

    Carbon Nanotube Networks on the Thermal Degradation Behaviour of Polysiloxanes Citation Details In-Document Search Title: The Effects of Highly Structured Low Density Carbon ...

  4. High pressure floating zone growth and structural properties...

    Office of Scientific and Technical Information (OSTI)

    quantum paraelectric BaFe12O19 Citation Details In-Document Search Title: High pressure floating zone growth and structural properties of ferrimagnetic quantum ...

  5. Synthesis, Structure, and Metalation of Two New Highly Porous...

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

    Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium Metal-Organic Frameworks Previous Next List William Morris, Boris Volosskiy, Selcuk Demir, Felipe Gndara,...

  6. Reflection High-Energy Electron Diffraction Beam-Induced Structural...

    Office of Scientific and Technical Information (OSTI)

    Reflection High-Energy Electron Diffraction Beam-Induced Structural and Property Changes on WO3 Thin Films Citation Details In-Document Search Title: Reflection High-Energy ...

  7. High Temperature Membrane with HUmidification-Independent Cluster Structure

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

    | Department of Energy with HUmidification-Independent Cluster Structure High Temperature Membrane with HUmidification-Independent Cluster Structure A presentation to the High Temperature Membranes Working Group meeting, May 19, 2006. lipp.pdf (132.46 KB) More Documents & Publications High Temperature Membrane Working Group New Proton Conductive Composit Materials with Co-continuous Phases Using Functionalized and Crosslinkable TFE/VDF Fluoropolymers High temperature membranes for DMFC

  8. High performance hybrid magnetic structure for biotechnology applications

    DOE Patents [OSTI]

    Humphries, David E.; Pollard, Martin J.; Elkin, Christopher J.

    2009-02-03

    The present disclosure provides a high performance hybrid magnetic structure made from a combination of permanent magnets and ferromagnetic pole materials which are assembled in a predetermined array. The hybrid magnetic structure provides means for separation and other biotechnology applications involving holding, manipulation, or separation of magnetic or magnetizable molecular structures and targets. Also disclosed are further improvements to aspects of the hybrid magnetic structure, including additional elements and for adapting the use of the hybrid magnetic structure for use in biotechnology and high throughput processes.

  9. CBEA High-Efficiency Parking Structure Lighting Specification | Department

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

    of Energy CBEA High-Efficiency Parking Structure Lighting Specification CBEA High-Efficiency Parking Structure Lighting Specification A Commercial Building Energy Alliance Project, Version 1.1. Released 2/15/2012. creea_parking_structure_spec.pdf (245.84 KB) More Documents & Publications CBEA LED Site Lighting Specification - Version 1.3, Released 2/15/2012 LED T8 Replacement Lamps Model Specification for LED Roadway Luminaires, V2.0

  10. Robust, High-Throughput Analysis of Protein Structures

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

    Robust, High-Throughput Analysis of Protein Structures Print Scientists have developed a fast and efficient way to determine the structure of proteins, shortening a process that often takes years into a matter of days. The Structurally Integrated BiologY for Life Sciences (SIBYLS) beamline at the ALS has implemented the world's highest-throughput biological-solution x-ray scattering beamline enabling genomic-scale protein-structure characterization. Coupling brilliant x rays from one of the

  11. Robust, High-Throughput Analysis of Protein Structures

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

    Robust, High-Throughput Analysis of Protein Structures Print Scientists have developed a fast and efficient way to determine the structure of proteins, shortening a process that often takes years into a matter of days. The Structurally Integrated BiologY for Life Sciences (SIBYLS) beamline at the ALS has implemented the world's highest-throughput biological-solution x-ray scattering beamline enabling genomic-scale protein-structure characterization. Coupling brilliant x rays from one of the

  12. Robust, High-Throughput Analysis of Protein Structures

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

    Robust, High-Throughput Analysis of Protein Structures Print Scientists have developed a fast and efficient way to determine the structure of proteins, shortening a process that often takes years into a matter of days. The Structurally Integrated BiologY for Life Sciences (SIBYLS) beamline at the ALS has implemented the world's highest-throughput biological-solution x-ray scattering beamline enabling genomic-scale protein-structure characterization. Coupling brilliant x rays from one of the

  13. Robust, High-Throughput Analysis of Protein Structures

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

    Robust, High-Throughput Analysis of Protein Structures Print Scientists have developed a fast and efficient way to determine the structure of proteins, shortening a process that often takes years into a matter of days. The Structurally Integrated BiologY for Life Sciences (SIBYLS) beamline at the ALS has implemented the world's highest-throughput biological-solution x-ray scattering beamline enabling genomic-scale protein-structure characterization. Coupling brilliant x rays from one of the

  14. Robust, High-Throughput Analysis of Protein Structures

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

    Robust, High-Throughput Analysis of Protein Structures Print Scientists have developed a fast and efficient way to determine the structure of proteins, shortening a process that often takes years into a matter of days. The Structurally Integrated BiologY for Life Sciences (SIBYLS) beamline at the ALS has implemented the world's highest-throughput biological-solution x-ray scattering beamline enabling genomic-scale protein-structure characterization. Coupling brilliant x rays from one of the

  15. Method for fabricating high aspect ratio structures in perovskite material

    DOE Patents [OSTI]

    Karapetrov, Goran T.; Kwok, Wai-Kwong; Crabtree, George W.; Iavarone, Maria

    2003-10-28

    A method of fabricating high aspect ratio ceramic structures in which a selected portion of perovskite or perovskite-like crystalline material is exposed to a high energy ion beam for a time sufficient to cause the crystalline material contacted by the ion beam to have substantially parallel columnar defects. Then selected portions of the material having substantially parallel columnar defects are etched leaving material with and without substantially parallel columnar defects in a predetermined shape having high aspect ratios of not less than 2 to 1. Etching is accomplished by optical or PMMA lithography. There is also disclosed a structure of a ceramic which is superconducting at a temperature in the range of from about 10.degree. K. to about 90.degree. K. with substantially parallel columnar defects in which the smallest lateral dimension of the structure is less than about 5 microns, and the thickness of the structure is greater than 2 times the smallest lateral dimension of the structure.

  16. Biomimetic Dye Molecules for Solar Cells

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

    traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency ... what makes them so efficient, and how to mimic them ...

  17. Biomimetic Dye Molecules for Solar Cells

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

    The most cost-effective solar cells are not high-end, high-efficiency single-crystal devices, but rather low-end cells based on organic molecules or conducting polymers. Vital ...

  18. Overview of Unpolarized Structure Function Measurements at High x

    SciTech Connect (OSTI)

    Holt, Roy J.

    2011-09-21

    A motivation and overview for recent measurements of unpolarized structure functions for the nucleon will be presented. Particular attention will be given to new experiments aimed at providing new high-x data.

  19. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights High-Pressure MOF Research Yields Structural Insights Print Wednesday, 26 February 2014 00:00 Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate

  20. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  1. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  2. High Aspect Ratio Metallic Structures for Use as Transparent Electrodes -

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

    Energy Innovation Portal Photovoltaic Solar Photovoltaic Advanced Materials Advanced Materials Find More Like This Return to Search High Aspect Ratio Metallic Structures for Use as Transparent Electrodes Ames Laboratory Contact AMES About This Technology Technology Marketing SummaryMetallic structures that can be used as transparent electrodes or to enhance the performance of solar cells or LEDs.DescriptionEfforts to develop new energy sources and more energy efficient devices has lead to

  3. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  4. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  5. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  6. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  7. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  8. Combining High Accuracy Electronic Structure Methods to Study Surface

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

    Reactions | Argonne Leadership Computing Facility A model of the aMnO2 (001) surface (side view) with lithium intercalated in the structure and an oxygen molecule adsorbed on top. Purple = Mn, red = O, green = Li. A model of the aMnO2 (001) surface (side view) with lithium intercalated in the structure and an oxygen molecule adsorbed on top. Purple = Mn, red = O, green = Li. Maria Chan, Argonne National Laboratory Combining High Accuracy Electronic Structure Methods to Study Surface

  9. Titanium cholla : lightweight, high-strength structures for aerospace applications.

    SciTech Connect (OSTI)

    Atwood, Clinton J.; Voth, Thomas Eugene; Taggart, David G.; Gill, David Dennis; Robbins, Joshua H.; Dewhurst, Peter

    2007-10-01

    Aerospace designers seek lightweight, high-strength structures to lower launch weight while creating structures that are capable of withstanding launch loadings. Most 'light-weighting' is done through an expensive, time-consuming, iterative method requiring experience and a repeated design/test/redesign sequence until an adequate solution is obtained. Little successful work has been done in the application of generalized 3D optimization due to the difficulty of analytical solutions, the large computational requirements of computerized solutions, and the inability to manufacture many optimized structures with conventional machining processes. The Titanium Cholla LDRD team set out to create generalized 3D optimization routines, a set of analytically optimized 3D structures for testing the solutions, and a method of manufacturing these complex optimized structures. The team developed two new computer optimization solutions: Advanced Topological Optimization (ATO) and FlexFEM, an optimization package utilizing the eXtended Finite Element Method (XFEM) software for stress analysis. The team also developed several new analytically defined classes of optimized structures. Finally, the team developed a 3D capability for the Laser Engineered Net Shaping{trademark} (LENS{reg_sign}) additive manufacturing process including process planning for 3D optimized structures. This report gives individual examples as well as one generalized example showing the optimized solutions and an optimized metal part.

  10. Dielectric-Lined High-Gradient Accelerator Structure

    SciTech Connect (OSTI)

    Jay L. Hirshfield

    2012-04-24

    Rectangular particle accelerator structures with internal planar dielectric elements have been studied, with a view towards devising structures with lower surface fields for a given accelerating field, as compared with structures without dielectrics. Success with this concept is expected to allow operation at higher accelerating gradients than otherwise on account of reduced breakdown probabilities. The project involves studies of RF breakdown on amorphous dielectrics in test cavities that could enable high-gradient structures to be built for a future multi-TeV collider. The aim is to determine what the limits are for RF fields at the surfaces of selected dielectrics, and the resulting acceleration gradient that could be achieved in a working structure. The dielectric of principal interest in this study is artificial CVD diamond, on account of its advertised high breakdown field ({approx}2 GV/m for dc), low loss tangent, and high thermal conductivity. Experimental studies at mm-wavelengths on materials and structures for achieving high acceleration gradient were based on the availability of the 34.3 GHz third-harmonic magnicon amplifier developed by Omega-P, and installed at the Yale University Beam Physics Laboratory. Peak power from the magnicon was measured to be about 20 MW in 0.5 {micro}s pulses, with a gain of 54 dB. Experiments for studying RF high-field effects on CVD diamond samples failed to show any evidence after more than 10{sup 5} RF pulses of RF breakdown up to a tangential surface field strength of 153 MV/m; studies at higher fields were not possible due to a degradation in magnicon performance. A rebuild of the tube is underway at this writing. Computed performance for a dielectric-loaded rectangular accelerator structure (DLA) shows highly competitive properties, as compared with an existing all-metal structure. For example, comparisons were made of a DLA structure having two planar CVD diamond elements with a all-metal CERN structure HDS

  11. High-pressure structural study of MnF2

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

    Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.; Konopkova, Zuzana; Raptis, Constantine

    2015-02-01

    In this study, manganese fluoride (MnF2) with the tetragonal rutile-type structure has been studied using a synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy in a diamond anvil cell up to 60 GPa at room temperature combined with first-principles density functional calculations. The experimental data reveal two pressure-induced structural phase transitions with the following sequence: rutile → SrI2 type (3 GPa)→ α–PbCl2 type (13 GPa). Complete structural information, including interatomic distances, has been determined in the case of MnF2 including the exact structure of the debated first high-pressure phase. First-principles density functional calculations confirm this phase transition sequence, and themore » two calculated transition pressures are in excellent agreement with the experiment. Lattice dynamics calculations also reproduce the experimental Raman spectra measured for the ambient and high-pressure phases. The results are discussed in line with the possible practical use of rutile-type fluorides in general and specifically MnF2 as a model compound to reveal the HP structural behavior of rutile-type SiO2 (Stishovite).« less

  12. Biological and Biomimetic Low-Temperature Routes to Materials...

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

    es047morse2012p.pdf (5.3 MB) More Documents & Publications Nano-scale Composite Hetero-structures: Novel High Capacity Reversible Anodes for Lithium-ion Batteries Novel Lithium ...

  13. High performance capacitors using nano-structure multilayer materials fabrication

    DOE Patents [OSTI]

    Barbee, T.W. Jr.; Johnson, G.W.; O`Brien, D.W.

    1996-01-23

    A high performance capacitor is described which is fabricated from nano-structure multilayer materials, such as by controlled, reactive sputtering, and having very high energy-density, high specific energy and high voltage breakdown. The multilayer capacitors, for example, may be fabricated in a ``notepad`` configuration composed of 200--300 alternating layers of conductive and dielectric materials so as to have a thickness of 1 mm, width of 200 mm, and length of 300 mm, with terminals at each end of the layers suitable for brazing, thereby guaranteeing low contact resistance and high durability. The ``notepad`` capacitors may be stacked in single or multiple rows (series-parallel banks) to increase the voltage and energy density. 5 figs.

  14. High performance capacitors using nano-structure multilayer materials fabrication

    DOE Patents [OSTI]

    Barbee, Jr., Troy W.; Johnson, Gary W.; O'Brien, Dennis W.

    1996-01-01

    A high performance capacitor fabricated from nano-structure multilayer materials, such as by controlled, reactive sputtering, and having very high energy-density, high specific energy and high voltage breakdown. The multilayer capacitors, for example, may be fabricated in a "notepad" configuration composed of 200-300 alternating layers of conductive and dielectric materials so as to have a thickness of 1 mm, width of 200 mm, and length of 300 mm, with terminals at each end of the layers suitable for brazing, thereby guaranteeing low contact resistance and high durability. The "notepad" capacitors may be stacked in single or multiple rows (series-parallel banks) to increase the voltage and energy density.

  15. High performance capacitors using nano-structure multilayer materials fabrication

    DOE Patents [OSTI]

    Barbee, T.W. Jr.; Johnson, G.W.; O`Brien, D.W.

    1995-05-09

    A high performance capacitor is fabricated from nano-structure multilayer materials, such as by controlled, reactive sputtering, and having very high energy-density, high specific energy and high voltage breakdown. The multilayer capacitors, for example, may be fabricated in a ``notepad`` configuration composed of 200-300 alternating layers of conductive and dielectric materials so as to have a thickness of 1 mm, width of 200 mm, and length of 300 mm, with terminals at each end of the layers suitable for brazing, thereby guaranteeing low contact resistance and high durability. The notepad capacitors may be stacked in single or multiple rows (series-parallel banks) to increase the voltage and energy density. 5 figs.

  16. High performance capacitors using nano-structure multilayer materials fabrication

    DOE Patents [OSTI]

    Barbee, Jr., Troy W.; Johnson, Gary W.; O'Brien, Dennis W.

    1995-01-01

    A high performance capacitor fabricated from nano-structure multilayer materials, such as by controlled, reactive sputtering, and having very high energy-density, high specific energy and high voltage breakdown. The multilayer capacitors, for example, may be fabricated in a "notepad" configuration composed of 200-300 alternating layers of conductive and dielectric materials so as to have a thickness of 1 mm, width of 200 mm, and length of 300 mm, with terminals at each end of the layers suitable for brazing, thereby guaranteeing low contact resistance and high durability. The "notepad" capacitors may be stacked in single or multiple rows (series-parallel banks) to increase the voltage and energy density.

  17. Structural Behaviour of Uranium Sulfide under High Pressure

    SciTech Connect (OSTI)

    Shareef, F.; Singh, S.; Gour, A.; Bhardwaj, P.; Sarwan, M.; Dubey, R. [High Pressure Research Lab, Department of Physics, Barkatullah University, Bhopal-462026 (India); Singh, R. K. [ITM University, Gurgaon, Haryana-122017 (India)

    2011-07-15

    The study of pressure induced structural phase transition of uranium sulphide, which crystallizes in rock salt (B1) structure, has been performed using the well described three body interaction model (TBIPM). Our present TBIP model consists of long range coulombic interaction, three body interactions, Hafemeister and Flygare type short-range overlap repulsion extended upto the second neighbor ions and the van der Waals interaction. The present results are in good agreement with the available experimental data on the phase transition pressure (Pt = 80.2 GPa). So it can be considered as an adequate and suitable model to perform high pressure studies.

  18. Electron beam enhanced surface modification for making highly resolved structures

    DOE Patents [OSTI]

    Pitts, J.R.

    1984-10-10

    A method for forming high resolution submicron structures on a substrate is provided by direct writing with a submicron electron beam in a partial pressure of a selected gas phase characterized by the ability to dissociate under the beam into a stable gaseous leaving group and a reactant fragment that combines with the substrate material under beam energy to form at least a surface compound. Variations of the method provide semiconductor device regions on doped silicon substrates, interconnect lines between active sites, three dimensional electronic chip structures, electron beam and optical read mass storage devices that may include color differentiated data areas, and resist areas for use with selective etching techniques.

  19. Electron beam enhanced surface modification for making highly resolved structures

    DOE Patents [OSTI]

    Pitts, John R.

    1986-01-01

    A method for forming high resolution submicron structures on a substrate is provided by direct writing with a submicron electron beam in a partial pressure of a selected gas phase characterized by the ability to dissociate under the beam into a stable gaseous leaving group and a reactant fragment that combines with the substrate material under beam energy to form at least a surface compound. Variations of the method provide semiconductor device regions on doped silicon substrates, interconnect lines between active sites, three dimensional electronic chip structures, electron beam and optical read mass storage devices that may include color differentiated data areas, and resist areas for use with selective etching techniques.

  20. High Aspect Ratio Metallic Structures for Use as Transparent Electrodes -

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

    Energy Innovation Portal Solar Photovoltaic Solar Photovoltaic Find More Like This Return to Search High Aspect Ratio Metallic Structures for Use as Transparent Electrodes Ames Laboratory Contact AMES About This Technology Technology Marketing Summary Polymer-based photovoltaic devices have received intense interest in recent years because of their potential to provide low-cost solar energy conversion, flexibility, manufacturability, and light weight. However, the efficiency of organic solar

  1. High Strength Nano-Structured Steel - Energy Innovation Portal

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

    Advanced Materials Advanced Materials Return to Search High Strength Nano-Structured Steel Idaho National Laboratory Success Story Details Partner Location Agreement Type Publication Date Nanosteel, Inc. Providence, Rhode Island License Work for Others (WFO) June 4, 2013 Video Bulk Materials Nanotechnology Summary The NanoSteel Company Complex modern challenges are driving new industrial market demands for metal alloys with properties and performance capabilities outside the known boundaries of

  2. Exploring the structure of high temperature, iron-bearing liquids

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

    Wilding, Martin; Benmore, Chris; Weber, Rick; Parise, John; Lazareva, Lena; Skinner, Lawrie; Alderman, Oliver; Tamalonis, Antony

    2015-06-25

    This paper describes the direct measurements of the structure of iron-bearing liquids using a combination of containerless techniques and in–situ high energy x-ray diffraction. These capabilities provide data that is important to help model and optimize processes such as smelting, steel making, and controlling slag chemistry. A successful programme of liquid studies has been undertaken and the Advanced Photon Source using these combined techniques which include the provision of gas mixing and the control of pO₂ and the changing influence of mixed valance elements. It is possible to combine rapid image acquisition with quenching of liquids to obtain the fullmore » diffraction patterns of deeply supercooled liquids and the metastable supercooled liquid regime, where the liquid structures and viscosity change most dramatically, can also be explored.« less

  3. Exploring the structure of high temperature, iron-bearing liquids

    SciTech Connect (OSTI)

    Wilding, Martin; Benmore, Chris; Weber, Rick; Parise, John; Lazareva, Lena; Skinner, Lawrie; Alderman, Oliver; Tamalonis, Antony

    2015-06-25

    This paper describes the direct measurements of the structure of iron-bearing liquids using a combination of containerless techniques and in–situ high energy x-ray diffraction. These capabilities provide data that is important to help model and optimize processes such as smelting, steel making, and controlling slag chemistry. A successful programme of liquid studies has been undertaken and the Advanced Photon Source using these combined techniques which include the provision of gas mixing and the control of pO₂ and the changing influence of mixed valance elements. It is possible to combine rapid image acquisition with quenching of liquids to obtain the full diffraction patterns of deeply supercooled liquids and the metastable supercooled liquid regime, where the liquid structures and viscosity change most dramatically, can also be explored.

  4. High energy density capacitors using nano-structure multilayer technology

    SciTech Connect (OSTI)

    Barbee, T.W. Jr.; Johnson, G.W.; O`Brien, D.W.

    1992-08-01

    Today, many pulse power and industrial applications are limited by capacitor performance. While incremental improvements are anticipated from existing capacitor technologies, significant advances are needed in energy density to enable these applications for both the military and for American economic competitiveness. We propose a program to research and develop a novel technology for making high voltage, high energy density capacitors. Nano-structure multilayer technologies developed at LLNL may well provide a breakthrough in capacitor performance. Our controlled sputtering techniques are capable of laying down extraordinarily smooth sub-micron layers of dielectric and conductor materials. With this technology, high voltage capacitors with an order of magnitude improvement in energy density may be achievable. Well-understood dielectrics and new materials will be investigated for use with this technology. Capacitors developed by nano-structure multilayer technology are inherently solid state, exhibiting extraordinary mechanical and thermal properties. The conceptual design of a Notepad capacitor is discussed to illustrate capacitor and capacitor bank design and performance with this technology. We propose a two phase R&D program to address DNA`s capacitor needs for electro-thermal propulsion and similar pulse power programs. Phase 1 will prove the concept and further our understanding of dielectric materials and design tradeoffs with multilayers. Nano-structure multilayer capacitors will be developed and characterized. As our materials research and modeling prove successful, technology insertion in our capacitor designs will improve the possibility for dramatic performance improvements. In Phase 2, we will make Notepad capacitors, construct a capacitor bank and demonstrate its performance in a meaningful pulse power application. We will work with industrial partners to design full scale manufacturing and move this technology to industry for volume production.

  5. Metalloproteomics: High-Throughput Structural and Functional Annotation of Proteins in Structural Genomics

    SciTech Connect (OSTI)

    Shi,W.; Zhan, C.; Lgnatov, A.; Manjasetty, B.; Marinkovic, N.; Sullivan, M.; Huang, R.; Chance, M.; Li, H.; et al.

    2005-01-01

    A high-throughput method for measuring transition metal content based on quantitation of X-ray fluorescence signals was used to analyze 654 proteins selected as targets by the New York Structural GenomiX Research Consortium. Over 10% showed the presence of transition metal atoms in stoichiometric amounts; these totals as well as the abundance distribution are similar to those of the Protein Data Bank. Bioinformatics analysis of the identified metalloproteins in most cases supported the metalloprotein annotation; identification of the conserved metal binding motif was also shown to be useful in verifying structural models of the proteins. Metalloproteomics provides a rapid structural and functional annotation for these sequences and is shown to be {approx}95% accurate in predicting the presence or absence of stoichiometric metal content. The project's goal is to assay at least 1 member from each Pfam family; approximately 500 Pfam families have been characterized with respect to transition metal content so far.

  6. Structure of high-burnup-fuel Zircaloy cladding. [PWR; BWR

    SciTech Connect (OSTI)

    Chung, H.M.

    1983-06-01

    Zircaloy cladding from high-burnup (> 20 MWd/kg U) fuel rods in light-water reactors is characterized by a high density of irradiation-induced defects (RID), compositional changes (e.g., oxygen and hydrogen uptake) associated with in-service corrosion, and geometrical changes produced by creepdown, bowing, and irradiation-induced growth. During a reactor power transient, the cladding is subject to localized stress imposed by thermal expansion of the cracked fuel pellets and to mechanical constraints imposed by pellet-cladding friction. As part of a program to provide a better understanding of brittle-type failure of Zircaloy fuel cladding by pellet-cladding interaction (PCI) phenomenon, the stress-rupture properties and microstructural characteristics of high-burnup spent fuel cladding have been under investigation. This paper reports the results of the microstructural examinations by optical microscopy, scanning (SEM), 100-keV transmission (TEM), and 1 MeV high-voltage (HVEM) electron microscopies of the fractured spent fuel cladding with a specific empahsis on a correlation of the structural characteristics with the fracture behavior.

  7. Structure recognition from high resolution images of ceramic composites

    SciTech Connect (OSTI)

    Ushizima, Daniela; Perciano, Talita; Krishnan, Harinarayan; Loring, Burlen; Bale, Hrishikesh; Parkinson, Dilworth; Sethian, James

    2015-01-05

    Fibers provide exceptional strength-to-weight ratio capabilities when woven into ceramic composites, transforming them into materials with exceptional resistance to high temperature, and high strength combined with improved fracture toughness. Microcracks are inevitable when the material is under strain, which can be imaged using synchrotron X-ray computed micro-tomography (mu-CT) for assessment of material mechanical toughness variation. An important part of this analysis is to recognize fibrillar features. This paper presents algorithms for detecting and quantifying composite cracks and fiber breaks from high-resolution image stacks. First, we propose recognition algorithms to identify the different structures of the composite, including matrix cracks and fibers breaks. Second, we introduce our package F3D for fast filtering of large 3D imagery, implemented in OpenCL to take advantage of graphic cards. Results show that our algorithms automatically identify micro-damage and that the GPU-based implementation introduced here takes minutes, being 17x faster than similar tools on a typical image file.

  8. Biomimetic Model Studies Reveal the Role of the Ca2+ Ion in Photosystem II

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

    | Stanford Synchrotron Radiation Lightsource Biomimetic Model Studies Reveal the Role of the Ca2+ Ion in Photosystem II Friday, October 31, 2014 Fig 1 Figure 1. The biomimetic complexes that model the OEC in the final step of water oxidation. In these complexes, a redox-active iron atom (orange) is bound to a TMC ligand (1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane, shown in gray and blue) and a peroxide moiety (red), which binds a redox- inactive metal ion (Mn+, green). Mn+ =

  9. Prospects for Accelerated Development of High Performance Structural Materials

    SciTech Connect (OSTI)

    Zinkle, Steven J; Ghoniem, Nasr M.

    2011-01-01

    We present an overview of key aspects for development of steels for fission and fusion energy applications, by linking material fabrication to thermo-mechanical properties through a physical understanding of microstructure evolution. Numerous design constraints (e.g. reduced activation, low ductile-brittle transition temperature, low neutron-induced swelling, good creep resistance, and weldability) need to be considered, which in turn can be controlled through material composition and processing techniques. Recent progress in the development of high-performance steels for fossil and fusion energy systems is summarized, along with progress in multiscale modeling of mechanical behavior in metals. Prospects for future design of optimum structural steels in nuclear applications by utilization of the hierarchy of multiscale experimental and computational strategies are briefly described.

  10. Electronic Structure of Crystalline 4He at High Pressures

    SciTech Connect (OSTI)

    Mao, Ho Kwang; Shirley, Eric L.; Ding, Yang; Eng, Peter; Cai, Yong Q.; Chow, Paul; Xiao, Yuming; Jinfu Shu, A=Kao, Chi-Chang; Hemley, Russell J.; Kao, Chichang; Mao, Wendy L.; ,

    2011-01-10

    Using inelastic X-ray scattering techniques, we have succeeded in probing the high-pressure electronic structure of helium crystal at 300 K which has the widest known electronic energy bandgap of all materials, that was previously inaccessible to measurements due to the extreme energy and pressure range. We observed rich electron excitation spectrum, including a cut-off edge above 23 eV, a sharp exciton peak showing linear volume dependence, and a series of excitations and continuum at 26 to 45 eV. We determined electronic dispersion along the {Gamma}-M direction over two Brillouin zones, and provided a quantitative picture of the helium exciton beyond the simplified Wannier-Frenkel description.

  11. Structure and Hydration of Highly-Branched, Monodisperse Phytoglycogen Nanoparticles

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

    Nickels, Jonathan D.; Atkinson, John; Papp-Szabo, Erzsebet; Stanley, Christopher; Diallo, Souleymane O.; Perticaroli, Stefania; Baylis, Benjamin; Mahon, Perry; Ehlers, Georg; Katsaras, John; et al

    2016-01-30

    Phytoglycogen is a naturally occurring polysaccharide nanoparticle made up of extensively branched glucose monomers. It has a number of unusual and advantageous properties, such as high water retention, low viscosity, and high stability in water, which make this biomaterial a promising candidate for a wide variety of applications. For this paper, we have characterized the structure and hydration of aqueous dispersions of phytoglycogen nanoparticles using neutron scattering. Small angle neutron scattering results suggest that the phytoglycogen nanoparticles behave similar to hard sphere colloids and are hydrated by a large number of water molecules (each nanoparticle contains between 250% and 285%more » of its mass in water). This suggests that phytoglycogen is an ideal sample in which to study the dynamics of hydration water. To this end, we used quasielastic neutron scattering (QENS) to provide an independent and consistent measure of the hydration number, and to estimate the retardation factor (or degree of water slow-down) for hydration water translational motions. These data demonstrate a length-scale dependence in the measured retardation factors that clarifies the origin of discrepancies between retardation factor values reported for hydration water using different experimental techniques. Finally, the present approach can be generalized to other systems containing nanoconfined water.« less

  12. High-pressure stability relations, crystal structures, and physical...

    Office of Scientific and Technical Information (OSTI)

    ... Country of Publication: United States Language: English Subject: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANTIFERROMAGNETISM; CRYSTAL STRUCTURE; EXCHANGE ...

  13. A Reversible Structural Phase Transition in ZnV2O6 at High Pressures...

    Office of Scientific and Technical Information (OSTI)

    A Reversible Structural Phase Transition in ZnV2O6 at High Pressures Citation Details In-Document Search Title: A Reversible Structural Phase Transition in ZnV2O6 at High Pressures ...

  14. Method for improving performance of highly stressed electrical insulating structures

    DOE Patents [OSTI]

    Wilson, Michael J.; Goerz, David A.

    2002-01-01

    Removing the electrical field from the internal volume of high-voltage structures; e.g., bushings, connectors, capacitors, and cables. The electrical field is removed from inherently weak regions of the interconnect, such as between the center conductor and the solid dielectric, and places it in the primary insulation. This is accomplished by providing a conductive surface on the inside surface of the principal solid dielectric insulator surrounding the center conductor and connects the center conductor to this conductive surface. The advantage of removing the electric fields from the weaker dielectric region to a stronger area improves reliability, increases component life and operating levels, reduces noise and losses, and allows for a smaller compact design. This electric field control approach is currently possible on many existing products at a modest cost. Several techniques are available to provide the level of electric field control needed. Choosing the optimum technique depends on material, size, and surface accessibility. The simplest deposition method uses a standard electroless plating technique, but other metalization techniques include vapor and energetic deposition, plasma spraying, conductive painting, and other controlled coating methods.

  15. Load test of the 272W Building high bay roof deck and support structure

    SciTech Connect (OSTI)

    McCoy, R.M.

    1994-09-28

    This reports the results of the Load Test of the 272W Building High Bay Roof Deck and Support Structure.

  16. All-metal metamaterial slow-wave structure for high-power sources with high efficiency

    SciTech Connect (OSTI)

    Wang, Yanshuai; Duan, Zhaoyun Tang, Xianfeng; Wang, Zhanliang; Zhang, Yabin; Gong, Yubin; Feng, Jinjun

    2015-10-12

    In this paper, we have proposed a metamaterial (MTM) which is suitable for the compact high-power vacuum electron devices. For example, an S-band slow-wave structure (SWS) based on the all-metal MTMs has been studied by both simulation and experiment. The results show that this MTM SWS is very helpful to miniaturize the high-power vacuum electron devices and largely improve the output power and the electronic efficiency. The simulation model of an S-band MTM backward wave oscillator (BWO) is built, and the particle-in-cell simulated results are presented here: a 2.454 GHz signal is generated and its peak output power is 4.0 MW with a higher electronic efficiency of 31.5% relative to the conventional BWOs.

  17. HYPERFINE STRUCTURE CONSTANTS OF ENERGETICALLY HIGH-LYING LEVELS OF ODD PARITY OF ATOMIC VANADIUM

    SciTech Connect (OSTI)

    Güzelçimen, F.; Yapıcı, B.; Demir, G.; Er, A.; Öztürk, I. K.; Başar, Gö.; Kröger, S.; Tamanis, M.; Ferber, R.; Docenko, D.; Başar, Gü. E-mail: sophie.kroeger@htw-berlin.de

    2014-09-01

    High-resolution Fourier transform spectra of a vanadium-argon plasma have been recorded in the wavelength range of 365-670 nm (15,000-27,400 cm{sup –1}). Optical bandpass filters were used in the experimental setup to enhance the sensitivity of the Fourier transform spectrometer. In total, 138 atomic vanadium spectral lines showing resolved or partially resolved hyperfine structure have been analyzed to determine the magnetic dipole hyperfine structure constants A of the involved energy levels. One of the investigated lines has not been previously classified. As a result, the magnetic dipole hyperfine structure constants A for 90 energy levels are presented: 35 of them belong to the configuration 3d {sup 3}4s4p and 55 to the configuration 3d {sup 4}4p. Of these 90 constants, 67 have been determined for the first time, with 23 corresponding to the configuration 3d {sup 3}4s4p and 44 to 3d {sup 4}4p.

  18. Phosphate bonded structural products from high volume wastes

    DOE Patents [OSTI]

    Singh, Dileep (Naperville, IL); Wagh, Arun S. (Joliet, IL)

    1998-01-01

    A method to produce structural products from benign waste is provided comprising mixing pretreated oxide with phosphoric acid to produce an acid solution, mixing the acid solution with waste particles to produce a slurry, and allowing the slurry to cure. The invention also provides for a structural material comprising waste particles enveloped by an inorganic binder.

  19. Phosphate bonded structural products from high volume wastes

    DOE Patents [OSTI]

    Singh, D.; Wagh, A.S.

    1998-12-08

    A method to produce structural products from benign waste is provided comprising mixing pretreated oxide with phosphoric acid to produce an acid solution, mixing the acid solution with waste particles to produce a slurry, and allowing the slurry to cure. The invention also provides for a structural material comprising waste particles enveloped by an inorganic binder. 1 fig.

  20. Identification of high angle structures controlling the geothermal...

    Open Energy Info (EERE)

    with dips between 80 and 90 degrees. Original drilling targets focused on the subsurface projection of a surface structure, mapped as the Rye Patch fault, with an erroneously low...

  1. Robust, High-Throughput Analysis of Protein Structures

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

    that require genomic-scale information, such as Berkeley Lab's bioenergy efforts and cancer biology studies. Artist's abstract depiction of high-throughput SAXS combining...

  2. Moisture and Structural Analysis for High Performance Hybrid Wall Assemblies

    SciTech Connect (OSTI)

    Grin, A.; Lstiburek, J.

    2012-09-01

    Based on past experience in the Building America program, BSC has found that combinations of materials and approachesin other words, systemsusually provide optimum performance. Integration is necessary, as described in this research project. The hybrid walls analyzed utilize a combination of exterior insulation, diagonal metal strapping, and spray polyurethane foam and leave room for cavity-fill insulation. These systems can provide effective thermal, air, moisture, and water barrier systems in one assembly and provide structure.

  3. Size-dependent structure of silver nanoparticles under high pressure

    SciTech Connect (OSTI)

    Koski, Kristie Jo

    2008-12-31

    Silver noble metal nanoparticles that are<10 nm often possess multiply twinned grains allowing them to adopt shapes and atomic structures not observed in bulk materials. The properties exhibited by particles with multiply twinned polycrystalline structures are often far different from those of single-crystalline particles and from the bulk. I will present experimental evidence that silver nanoparticles<10 nm undergo a reversible structural transformation under hydrostatic pressures up to 10 GPa. Results for nanoparticles in the intermediate size range of 5 to 10 nm suggest a reversible linear pressure-dependent rhombohedral distortion which has not been previously observed in bulk silver. I propose a mechanism for this transitiion that considers the bond-length distribution in idealized multiply twinned icosahedral particles. Results for nanoparticles of 3.9 nm suggest a reversible linear pressure-dependent orthorhombic distortion. This distortion is interpreted in the context of idealized decahedral particles. In addition, given these size-dependent measurements of silver nanoparticle compression with pressure, we have constructed a pressure calibration curve. Encapsulating these silver nanoparticles in hollow metal oxide nanospheres then allows us to measure the pressure inside a nanoshell using x-ray diffraction. We demonstrate the measurement of pressure gradients across nanoshells and show that these nanoshells have maximum resolved shear strengths on the order of 500 MPa to IGPa.

  4. Exploring electronic structure through high-resolution hard x...

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

    solid angle spectroscopy end-station at beamline 6-2 (SSRL). Three multicrystal high energy-resolution x-ray spectrometers (a 40-crystal low-q x-ray Raman spectrometer, a ...

  5. High Temperature Membrane with Humidification-Independent Cluster Structure

    SciTech Connect (OSTI)

    Lipp, Ludwig

    2015-07-10

    The objective of this project was to develop high temperature membranes to facilitate the wide-spread deployment of hydrogen fuel cells. High temperature membranes offer significant advantages in PEM system operation, overall capital and operating costs. State-of-the-art Nafion-based membranes are inadequate for the high temperature operation. These conventional membranes become unstable at higher temperatures (90-120°C) and lose their conductivity, particularly at low relative humidity. In this program, alternate materials were developed to enable fabrication of novel high performance composite membranes. FCE’s concept for the multi-component composite membrane, named mC2, has been used in the design of more conductive membranes.

  6. Cryogenic deformation of high temperature superconductive composite structures

    DOE Patents [OSTI]

    Roberts, Peter R.; Michels, William; Bingert, John F.

    2001-01-01

    An improvement in a process of preparing a composite high temperature oxide superconductive wire is provided and involves conducting at least one cross-sectional reduction step in the processing preparation of the wire at sub-ambient temperatures.

  7. Structural behaviour of niobium oxynitride under high pressure

    SciTech Connect (OSTI)

    Sharma, Bharat Bhooshan Poswal, H. K. Pandey, K. K. Sharma, Surinder M.; Yakhmi, J. V.; Ohashi, Y.; Kikkawa, S.

    2014-04-24

    High pressure investigation of niobium oxynitrides (NbN{sub 0.98}O{sub 0.02}) employing synchrotron based angle dispersive x-ray diffraction experiments was carried out in very fine pressure steps using membrane driven diamond anvil cell. Ambient cubic phase was found to be stable up to ∼18 GPa. At further high pressure cubic phase showed rhombohedral distortion.

  8. Hexagonal-structured epsilon-NbN: Ultra-incompressibility, High...

    Office of Scientific and Technical Information (OSTI)

    Hexagonal-structured epsilon-NbN: Ultra-incompressibility, High Shear Rigidity, and a Possible Hard Superconducting Material Citation Details In-Document Search Title: ...

  9. Structural Deformation of Sm@C88 Under High Pressure (Journal...

    Office of Scientific and Technical Information (OSTI)

    Deformation of Sm@C88 Under HighPressure Citation Details In-Document Search Title: Structural Deformation of Sm@C88 Under High Pressure Authors: J Cui ; M Yao ; H Yang ; Z Liu ; ...

  10. Summary report of working group 3: High gradient and laser-structure based acceleration

    SciTech Connect (OSTI)

    Solyak, N.; Cowan, B.M.; /Tech-X, Boulder

    2010-01-01

    The charge for the working group on high gradient and laser-structure based acceleration was to assess the current challenges involved in developing an advanced accelerator based on electromagnetic structures, and survey state-of-the-art methods to address those challenges. The topics of more than 50 presentations in the working group covered a very broad range of issues, from ideas, theoretical models and simulations, to design and manufacturing of accelerating structures and, finally, experimental results on obtaining extremely high accelerating gradients in structures from conventional microwave frequency range up to THz and laser frequencies. Workshop discussion topics included advances in the understanding of the physics of breakdown and other phenomena, limiting high gradient performance of accelerating structures. New results presented in this workshop demonstrated significant progress in the fields of conventional vacuum structure-based acceleration, dielectric wakefield acceleration, and laser-structure acceleration.

  11. High efficiency proportional neutron detector with solid liner internal structures

    DOE Patents [OSTI]

    Kisner, Roger Allen; Holcomb, David Eugene; Brown, Gilbert M.

    2014-08-05

    A tube-style neutron detector, a panel-style neutron detector incorporating a plurality of tube-style neutron detectors, and a panel-style neutron detector including a plurality of anode wires are provided. A plurality of channels is provided in a neutron detector such that each channel has an inner surface of a coating layer including a neutron-absorbing material. A wire anode is provided at end of each channel so that electrons generated by a charged daughter particle generated by a neutron are collected to detect a neutron-matter interaction. Moderator units can be incorporated into a neutron detector to provide improved detection efficiencies and/or to determine neutron energy spectrum. Gas-based proportional response from the neutron detectors can be employed for special nuclear material (SNM) detection. This neutron detector can provide similar performance to .sup.3He-based detectors without requiring .sup.3He and without containing toxic, flammable, or high-pressure materials.

  12. Nano-scale Composite Hetero-structures: Novel High Capacity Reversible...

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

    0kumta.pdf (1.9 MB) More Documents & Publications Nano-scale Composite Hetero-structures: Novel High Capacity Reversible Anodes for Lithium-ion Batteries Nanoscale ...

  13. Structural integrity and potential failure modes of hanford high-level waste tanks

    SciTech Connect (OSTI)

    Han, F.C.

    1996-09-30

    Structural Integrity of the Hanford High-Level Waste Tanks were evaluated based on the existing Design and Analysis Documents. All tank structures were found adequate for the normal operating and seismic loads. Potential failure modes of the tanks were assessed by engineering interpretation and extrapolation of the existing engineering documents.

  14. Development of High-Gradient Dielectric Laser-Driven Particle Accelerator Structures

    SciTech Connect (OSTI)

    Byer, Robert L.

    2013-11-07

    The thrust of Stanford's program is to conduct research on high-gradient dielectric accelerator structures driven with high repetition-rate, tabletop infrared lasers. The close collaboration between Stanford and SLAC (Stanford Linear Accelerator Center) is critical to the success of this project, because it provides a unique environment where prototype dielectric accelerator structures can be rapidly fabricated and tested with a relativistic electron beam.

  15. Electronic Structure of LaOFeP - a Different Type of High Temperature

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

    Superconductor Electronic Structure of LaOFeP - a Different Type of High Temperature Superconductor The recent discovery of superconductivity in iron-based layered compounds has created renewed interest in high temperature superconductivity. With a superconducting transition temperature as high as 55 K, this discovery not only ended the monopoly of copper oxides in the family of high temperature superconductors, but also provides a new direction to understand the essential ingredients for

  16. QCD Precision Measurements and Structure Function Extraction at a High Statistics, High Energy Neutrino Scattering Experiment: NuSOnG

    SciTech Connect (OSTI)

    Adams, T.; Batra, P.; Bugel, Leonard G.; Camilleri, Leslie Loris; Conrad, Janet Marie; de Gouvea, A.; Fisher, Peter H.; Formaggio, Joseph Angelo; Jenkins, J.; Karagiorgi, Georgia S.; Kobilarcik, T.R.; /Fermilab /Texas U.

    2009-06-01

    We extend the physics case for a new high-energy, ultra-high statistics neutrino scattering experiment, NuSOnG (Neutrino Scattering On Glass) to address a variety of issues including precision QCD measurements, extraction of structure functions, and the derived Parton Distribution Functions (PDFs). This experiment uses a Tevatron-based neutrino beam to obtain a sample of Deep Inelastic Scattering (DIS) events which is over two orders of magnitude larger than past samples. We outline an innovative method for fitting the structure functions using a parameterized energy shift which yields reduced systematic uncertainties. High statistics measurements, in combination with improved systematics, will enable NuSOnG to perform discerning tests of fundamental Standard Model parameters as we search for deviations which may hint of 'Beyond the Standard Model' physics.

  17. Interaction of an ultrarelativistic electron bunch train with a W-band accelerating structure: High power and high gradient

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

    Wang, D.; Antipov, S.; Jing, C.; Power, J. G.; Conde, M.; Wisniewski, E.; Liu, W.; Qiu, J.; Ha, G.; Dolgashev, V.; et al

    2016-02-05

    Electron beam interaction with high frequency structures (beyond microwave regime) has a great impact on future high energy frontier machines. We report on the generation of multimegawatt pulsed rf power at 91 GHz in a planar metallic accelerating structure driven by an ultrarelativistic electron bunch train. This slow-wave wakefield device can also be used for high gradient acceleration of electrons with a stable rf phase and amplitude which are controlled by manipulation of the bunch train. To achieve precise control of the rf pulse properties, a two-beam wakefield interferometry method was developed in which the rf pulse, due to themore » interference of the wakefields from the two bunches, was measured as a function of bunch separation. As a result, measurements of the energy change of a trailing electron bunch as a function of the bunch separation confirmed the interferometry method.« less

  18. Status of High Power Tests of Normal Conducting Single-Cell Structures

    SciTech Connect (OSTI)

    Dolgashev, V.A.; Tantawi, S.G.; Higashi, Y.; Higo, T.; /KEK, Tsukuba

    2011-11-04

    We report the results of ongoing high power tests of single-cell standing wave structures. These tests are part of an experimental and theoretical study of rf breakdown in normal conducting structures at 11.4 GHz. The goal of this study is to determine the maximum gradient possibilities for normal-conducting rf powered particle beam accelerators. The test setup consists of reusable mode launchers and short test structures powered by SLACs XL-4 klystron. The mode launchers and structures were manufactured at SLAC and KEK and tested at the SLAC klystron test laboratory.

  19. Synthesis of Ag{sub 2}S nanorods by biomimetic method in the lysozyme matrix

    SciTech Connect (OSTI)

    Qin, Dezhi Zhang, Li; He, Guoxu; Zhang, Qiuxia

    2013-09-01

    Graphical abstract: - Highlights: • Firstly, Ag{sub 2}S nanorods were synthesized by biomimetic method in the lysozyme solutions. • The study of the interaction between Ag{sup +} and the lysozyme. • Discussion of possible formation mechanism of Ag{sub 2}S nanorods. • The synthesis process of lyso-conjugated Ag{sub 2}S nanocrystals is facile, effective and environment friendly. - Abstract: Ag{sub 2}S nanorods were successfully synthesized by biomimetic route in the lysozyme solution at physiological temperature and atmospheric pressure. The transmission electron microscopy (TEM) images revealed that the prepared nanorods are uniform and monodisperse with homogeneous size about 50 nm in diameter and 150 nm in length. The optical property of Ag{sub 2}S nanocrystals was studied by the ultraviolet–visible (UV–vis) and photoluminescence (PL) spectroscopy, the results show that the products exhibit well-defined emission at 471 nm and 496 nm excited by 292 nm. The interaction of Ag{sup +}/Ag{sub 2}S with the lysozyme was investigated through Fourier transform infrared (FT-IR) spectroscopy, which shows that the cooperation effect of the lysozyme and Ag{sup +} could be responsible for the formation of as obtained Ag{sub 2}S nanorods.

  20. Laminin and biomimetic extracellular elasticity enhance functional differentiation in mammary epithelia

    SciTech Connect (OSTI)

    Alcaraz, Jordi; Xu, Ren; Mori, Hidetoshi; Nelson, Celeste M.; Mroue, Rana; Spencer, Virginia A.; Brownfield, Doug; Radisky, Derek C.; Bustamante, Carlos; Bissell, Mina J.

    2008-10-20

    In the mammary gland, epithelial cells are embedded in a 'soft' environment and become functionally differentiated in culture when exposed to a laminin-rich extracellular matrix gel. Here, we define the processes by which mammary epithelial cells integrate biochemical and mechanical extracellular cues to maintain their differentiated phenotype. We used single cells cultured on top of gels in conditions permissive for {beta}-casein expression using atomic force microscopy to measure the elasticity of the cells and their underlying substrata. We found that maintenance of {beta}-casein expression required both laminin signalling and a 'soft' extracellular matrix, as is the case in normal tissues in vivo, and biomimetic intracellular elasticity, as is the case in primary mammary epithelial organoids. Conversely, two hallmarks of breast cancer development, stiffening of the extracellular matrix and loss of laminin signalling, led to the loss of {beta}-casein expression and non-biomimetic intracellular elasticity. Our data indicate that tissue-specific gene expression is controlled by both the tissues unique biochemical milieu and mechanical properties, processes involved in maintenance of tissue integrity and protection against tumorigenesis.

  1. Exploring electronic structure through high-resolution hard x-ray

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

    spectroscopies | Stanford Synchrotron Radiation Lightsource Exploring electronic structure through high-resolution hard x-ray spectroscopies Tuesday, July 23, 2013 - 11:00am SLAC, Conference Room 137-322 Presented by Dimosthenis Sokaras, Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory Modern high brilliance beamlines coupled with recent advances in hard-x-ray optics are establishing high-resolution hard x-ray spectroscopies as a powerful analytical tool for

  2. High Resolution/High Fidelity Seismic Imaging and Parameter Estimation for Geological Structure and Material Characterization

    SciTech Connect (OSTI)

    Ru-Shan Wu; Xiao-Bi Xie

    2008-06-08

    Our proposed work on high resolution/high fidelity seismic imaging focused on three general areas: (1) development of new, more efficient, wave-equation-based propagators and imaging conditions, (2) developments towards amplitude-preserving imaging in the local angle domain, in particular, imaging methods that allow us to estimate the reflection as a function of angle at a layer boundary, and (3) studies of wave inversion for local parameter estimation. In this report we summarize the results and progress we made during the project period. The report is divided into three parts, totaling 10 chapters. The first part is on resolution analysis and its relation to directional illumination analysis. The second part, which is composed of 6 chapters, is on the main theme of our work, the true-reflection imaging. True-reflection imaging is an advanced imaging technology which aims at keeping the image amplitude proportional to the reflection strength of the local reflectors or to obtain the reflection coefficient as function of reflection-angle. There are many factors which may influence the image amplitude, such as geometrical spreading, transmission loss, path absorption, acquisition aperture effect, etc. However, we can group these into two categories: one is the propagator effect (geometric spreading, path losses); the other is the acquisition-aperture effect. We have made significant progress in both categories. We studied the effects of different terms in the true-amplitude one-way propagators, especially the terms including lateral velocity variation of the medium. We also demonstrate the improvements by optimizing the expansion coefficients in different terms. Our research also includes directional illumination analysis for both the one-way propagators and full-wave propagators. We developed the fast acquisition-aperture correction method in the local angle-domain, which is an important element in the true-reflection imaging. Other developments include the super

  3. Local structures of high-entropy alloys (HEAs) on atomic scales: An overview

    SciTech Connect (OSTI)

    Diao, Haoyan; Santodonato, Louis J.; Tang, Zhi; Egami, Takeshi; Liaw, Peter K.

    2015-08-29

    The high-entropy alloys, containing several elements mixed in equimolar or near-equimolar ratios, have shown exceptional engineering properties. Local structures on the atomic level are essential to understand the mechanical behaviors and related mechanisms. This article covers the local structure and stress on the atomic level are reviewed by the pair-distribution function of neutron-diffraction data, ab-initio molecular dynamics simulations, and the atomic probe microscopy.

  4. Local structures of high-entropy alloys (HEAs) on atomic scales: An overview

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

    Diao, Haoyan; Santodonato, Louis J.; Tang, Zhi; Egami, Takeshi; Liaw, Peter K.

    2015-01-01

    The high-entropy alloys, containing several elements mixed in equimolar or near-equimolar ratios, have shown exceptional engineering properties. Local structures on the atomic level are essential to understand the mechanical behaviors and related mechanisms. This article covers the local structure and stress on the atomic level are reviewed by the pair-distribution function of neutron-diffraction data, ab-initio molecular dynamics simulations, and the atomic probe microscopy.

  5. Automated High Throughput Protein Crystallization Screening at Nanoliter Scale and Protein Structural Study on Lactate Dehydrogenase

    SciTech Connect (OSTI)

    Fenglei Li

    2006-08-09

    The purposes of our research were: (1) To develop an economical, easy to use, automated, high throughput system for large scale protein crystallization screening. (2) To develop a new protein crystallization method with high screening efficiency, low protein consumption and complete compatibility with high throughput screening system. (3) To determine the structure of lactate dehydrogenase complexed with NADH by x-ray protein crystallography to study its inherent structural properties. Firstly, we demonstrated large scale protein crystallization screening can be performed in a high throughput manner with low cost, easy operation. The overall system integrates liquid dispensing, crystallization and detection and serves as a whole solution to protein crystallization screening. The system can dispense protein and multiple different precipitants in nanoliter scale and in parallel. A new detection scheme, native fluorescence, has been developed in this system to form a two-detector system with a visible light detector for detecting protein crystallization screening results. This detection scheme has capability of eliminating common false positives by distinguishing protein crystals from inorganic crystals in a high throughput and non-destructive manner. The entire system from liquid dispensing, crystallization to crystal detection is essentially parallel, high throughput and compatible with automation. The system was successfully demonstrated by lysozyme crystallization screening. Secondly, we developed a new crystallization method with high screening efficiency, low protein consumption and compatibility with automation and high throughput. In this crystallization method, a gas permeable membrane is employed to achieve the gentle evaporation required by protein crystallization. Protein consumption is significantly reduced to nanoliter scale for each condition and thus permits exploring more conditions in a phase diagram for given amount of protein. In addition

  6. Biomimetic multifunctional porous chalcogels as solar fuel catalysts.

    SciTech Connect (OSTI)

    Yuhas, B. D.; Smeigh, A. L.; Samuel, A. P. S.; Shim, Y.; Bag, S.; Douvalis, A. P.; Wasielewski, M. R.; Kanatzidis, M. G.

    2011-05-01

    Biological systems that can capture and store solar energy are rich in a variety of chemical functionalities, incorporating light-harvesting components, electron-transfer cofactors, and redox-active catalysts into one supramolecule. Any artificial mimic of such systems designed for solar fuels production will require the integration of complex subunits into a larger architecture. We present porous chalcogenide frameworks that can contain both immobilized redox-active Fe{sub 4}S{sub 4} clusters and light-harvesting photoredox dye molecules in close proximity. These multifunctional gels are shown to electrocatalytically reduce protons and carbon disulfide. In addition, incorporation of a photoredox agent into the chalcogels is shown to photochemically produce hydrogen. The gels have a high degree of synthetic flexibility, which should allow for a wide range of light-driven processes relevant to the production of solar fuels.

  7. High regularity of Z-DNA revealed by ultra high-resolution crystal structure at 0.55;#8201;Å

    SciTech Connect (OSTI)

    Brzezinski, Krzysztof; Brzuszkiewicz, Anna; Dauter, Miroslawa; Kubicki, Maciej; Jaskolski, Mariusz; Dauter, Zbigniew

    2011-12-02

    The crystal structure of a Z-DNA hexamer duplex d(CGCGCG){sub 2} determined at ultra high resolution of 0.55 {angstrom} and refined without restraints, displays a high degree of regularity and rigidity in its stereochemistry, in contrast to the more flexible B-DNA duplexes. The estimations of standard uncertainties of all individually refined parameters, obtained by full-matrix least-squares optimization, are comparable with values that are typical for small-molecule crystallography. The Z-DNA model generated with ultra high-resolution diffraction data can be used to revise the stereochemical restraints applied in lower resolution refinements. Detailed comparisons of the stereochemical library values with the present accurate Z-DNA parameters, shows in general a good agreement, but also reveals significant discrepancies in the description of guanine-sugar valence angles and in the geometry of the phosphate groups.

  8. Multiscale modeling of thermal conductivity of high burnup structures in UO2 fuels

    SciTech Connect (OSTI)

    Bai, Xian -Ming; Tonks, Michael R.; Zhang, Yongfeng; Hales, Jason D.

    2015-12-22

    The high burnup structure forming at the rim region in UO2 based nuclear fuel pellets has interesting physical properties such as improved thermal conductivity, even though it contains a high density of grain boundaries and micron-size gas bubbles. To understand this counterintuitive phenomenon, mesoscale heat conduction simulations with inputs from atomistic simulations and experiments were conducted to study the thermal conductivities of a small-grain high burnup microstructure and two large-grain unrestructured microstructures. We concluded that the phonon scattering effects caused by small point defects such as dispersed Xe atoms in the grain interior must be included in order to correctly predict the thermal transport properties of these microstructures. In extreme cases, even a small concentration of dispersed Xe atoms such as 10-5 can result in a lower thermal conductivity in the large-grain unrestructured microstructures than in the small-grain high burnup structure. The high-density grain boundaries in a high burnup structure act as defect sinks and can reduce the concentration of point defects in its grain interior and improve its thermal conductivity in comparison with its large-grain counterparts. Furthermore, an analytical model was developed to describe the thermal conductivity at different concentrations of dispersed Xe, bubble porosities, and grain sizes. Upon calibration, the model is robust and agrees well with independent heat conduction modeling over a wide range of microstructural parameters.

  9. Multiscale modeling of thermal conductivity of high burnup structures in UO2 fuels

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

    Bai, Xian -Ming; Tonks, Michael R.; Zhang, Yongfeng; Hales, Jason D.

    2015-12-22

    The high burnup structure forming at the rim region in UO2 based nuclear fuel pellets has interesting physical properties such as improved thermal conductivity, even though it contains a high density of grain boundaries and micron-size gas bubbles. To understand this counterintuitive phenomenon, mesoscale heat conduction simulations with inputs from atomistic simulations and experiments were conducted to study the thermal conductivities of a small-grain high burnup microstructure and two large-grain unrestructured microstructures. We concluded that the phonon scattering effects caused by small point defects such as dispersed Xe atoms in the grain interior must be included in order to correctlymore » predict the thermal transport properties of these microstructures. In extreme cases, even a small concentration of dispersed Xe atoms such as 10-5 can result in a lower thermal conductivity in the large-grain unrestructured microstructures than in the small-grain high burnup structure. The high-density grain boundaries in a high burnup structure act as defect sinks and can reduce the concentration of point defects in its grain interior and improve its thermal conductivity in comparison with its large-grain counterparts. Furthermore, an analytical model was developed to describe the thermal conductivity at different concentrations of dispersed Xe, bubble porosities, and grain sizes. Upon calibration, the model is robust and agrees well with independent heat conduction modeling over a wide range of microstructural parameters.« less

  10. Porous silicon structures with high surface area/specific pore size

    DOE Patents [OSTI]

    Northrup, M.A.; Yu, C.M.; Raley, N.F.

    1999-03-16

    Fabrication and use of porous silicon structures to increase surface area of heated reaction chambers, electrophoresis devices, and thermopneumatic sensor-actuators, chemical preconcentrates, and filtering or control flow devices. In particular, such high surface area or specific pore size porous silicon structures will be useful in significantly augmenting the adsorption, vaporization, desorption, condensation and flow of liquids and gases in applications that use such processes on a miniature scale. Examples that will benefit from a high surface area, porous silicon structure include sample preconcentrators that are designed to adsorb and subsequently desorb specific chemical species from a sample background; chemical reaction chambers with enhanced surface reaction rates; and sensor-actuator chamber devices with increased pressure for thermopneumatic actuation of integrated membranes. Examples that benefit from specific pore sized porous silicon are chemical/biological filters and thermally-activated flow devices with active or adjacent surfaces such as electrodes or heaters. 9 figs.

  11. Porous silicon structures with high surface area/specific pore size

    DOE Patents [OSTI]

    Northrup, M. Allen; Yu, Conrad M.; Raley, Norman F.

    1999-01-01

    Fabrication and use of porous silicon structures to increase surface area of heated reaction chambers, electrophoresis devices, and thermopneumatic sensor-actuators, chemical preconcentrates, and filtering or control flow devices. In particular, such high surface area or specific pore size porous silicon structures will be useful in significantly augmenting the adsorption, vaporization, desorption, condensation and flow of liquids and gasses in applications that use such processes on a miniature scale. Examples that will benefit from a high surface area, porous silicon structure include sample preconcentrators that are designed to adsorb and subsequently desorb specific chemical species from a sample background; chemical reaction chambers with enhanced surface reaction rates; and sensor-actuator chamber devices with increased pressure for thermopneumatic actuation of integrated membranes. Examples that benefit from specific pore sized porous silicon are chemical/biological filters and thermally-activated flow devices with active or adjacent surfaces such as electrodes or heaters.

  12. High-pressure structure made of rings with peripheral weldments of reduced thickness

    DOE Patents [OSTI]

    Leventry, Samuel C.

    1988-01-01

    A high-pressure structure having a circular cylindrical metal shell made of metal rings joined together by weldments and which have peripheral areas of reduced shell thickness at the weldments which permit a reduction in the amount of weld metal deposited while still maintaining sufficient circumferential or hoop stress strength.

  13. Guidelines for development of structural integrity programs for DOE high-level waste storage tanks

    SciTech Connect (OSTI)

    Bandyopadhyay, K.; Bush, S.; Kassir, M.; Mather, B.; Shewmon, P.; Streicher, M.; Thompson, B.; Rooyen, D. van; Weeks, J.

    1997-01-01

    Guidelines are provided for developing programs to promote the structural integrity of high-level waste storage tanks and transfer lines at the facilities of the Department of Energy. Elements of the program plan include a leak-detection system, definition of appropriate loads, collection of data for possible material and geometric changes, assessment of the tank structure, and non-destructive examination. Possible aging degradation mechanisms are explored for both steel and concrete components of the tanks, and evaluated to screen out nonsignificant aging mechanisms and to indicate methods of controlling the significant aging mechanisms. Specific guidelines for assessing structural adequacy will be provided in companion documents. Site-specific structural integrity programs can be developed drawing on the relevant portions of the material in this document.

  14. Prediction of new high pressure structural sequence in thorium carbide: A first principles study

    SciTech Connect (OSTI)

    Sahoo, B. D. Joshi, K. D.; Gupta, Satish C.

    2015-05-14

    In the present work, we report the detailed electronic band structure calculations on thorium monocarbide. The comparison of enthalpies, derived for various phases using evolutionary structure search method in conjunction with first principles total energy calculations at several hydrostatic compressions, yielded a high pressure structural sequence of NaCl type (B1) → Pnma → Cmcm → CsCl type (B2) at hydrostatic pressures of ∼19 GPa, 36 GPa, and 200 GPa, respectively. However, the two high pressure experimental studies by Gerward et al. [J. Appl. Crystallogr. 19, 308 (1986); J. Less-Common Met. 161, L11 (1990)] one up to 36 GPa and other up to 50 GPa, on substoichiometric thorium carbide samples with carbon deficiency of ∼20%, do not report any structural transition. The discrepancy between theory and experiment could be due to the non-stoichiometry of thorium carbide samples used in the experiment. Further, in order to substantiate the results of our static lattice calculations, we have determined the phonon dispersion relations for these structures from lattice dynamic calculations. The theoretically calculated phonon spectrum reveal that the B1 phase fails dynamically at ∼33.8 GPa whereas the Pnma phase appears as dynamically stable structure around the B1 to Pnma transition pressure. Similarly, the Cmcm structure also displays dynamic stability in the regime of its structural stability. The B2 phase becomes dynamically stable much below the Cmcm to B2 transition pressure. Additionally, we have derived various thermophysical properties such as zero pressure equilibrium volume, bulk modulus, its pressure derivative, Debye temperature, thermal expansion coefficient and Gruneisen parameter at 300 K and compared these with available experimental data. Further, the behavior of zero pressure bulk modulus, heat capacity and Helmholtz free energy has been examined as a function temperature and compared with the experimental data of Danan [J

  15. Structural Analysis of a Highly Glycosylated and Unliganded gp120-Based Antigen Using Mass Spectrometry

    SciTech Connect (OSTI)

    L Wang; Y Qin; S Ilchenko; J Bohon; W Shi; M Cho; K Takamoto; M Chance

    2011-12-31

    Structural characterization of the HIV-1 envelope protein gp120 is very important for providing an understanding of the protein's immunogenicity and its binding to cell receptors. So far, the crystallographic structure of gp120 with an intact V3 loop (in the absence of a CD4 coreceptor or antibody) has not been determined. The third variable region (V3) of the gp120 is immunodominant and contains glycosylation signatures that are essential for coreceptor binding and entry of the virus into T-cells. In this study, we characterized the structure of the outer domain of gp120 with an intact V3 loop (gp120-OD8) purified from Drosophila S2 cells utilizing mass spectrometry-based approaches. We mapped the glycosylation sites and calculated the glycosylation occupancy of gp120-OD8; 11 sites from 15 glycosylation motifs were determined as having high-mannose or hybrid glycosylation structures. The specific glycan moieties of nine glycosylation sites from eight unique glycopeptides were determined by a combination of ECD and CID MS approaches. Hydroxyl radical-mediated protein footprinting coupled with mass spectrometry analysis was employed to provide detailed information about protein structure of gp120-OD8 by directly identifying accessible and hydroxyl radical-reactive side chain residues. Comparison of gp120-OD8 experimental footprinting data with a homology model derived from the ligated CD4-gp120-OD8 crystal structure revealed a flexible V3 loop structure in which the V3 tip may provide contacts with the rest of the protein while residues in the V3 base remain solvent accessible. In addition, the data illustrate interactions between specific sugar moieties and amino acid side chains potentially important to the gp120-OD8 structure.

  16. Multi-direction high-efficiency second harmonic generation in ellipse structure nonlinear photonic crystals

    SciTech Connect (OSTI)

    Chen, Bao-Qin; Zhang, Chao; Liu, Rong-Juan; Li, Zhi-Yuan

    2014-10-13

    We have designed and fabricated a lithium niobate (LN) nonlinear photonic crystal (NPC) with a two-dimensional (2D) ellipse structure of inverse poling domains. The structure can offer continuously varying reciprocal lattice vectors in different directions to compensate the phase-mismatching during the second harmonic generation (SHG) for diverse pump wavelengths. We consider three propagation directions with large effective nonlinear susceptibility and measure the nonlinear conversion efficiency of SHG. The experimental data are in good agreement with the quantitative calculation results using the effective susceptibility model with pump depletion. With high-efficiency SHG in multiple propagation direction, the 2D ellipse structure of LN NPC has the potential to realize various broadband nonlinear frequency conversion processes in different propagation direction with a single crystal.

  17. Dynamics and structure of self-generated magnetics fields on solids following high contrast, high intensity laser irradiation

    SciTech Connect (OSTI)

    Albertazzi, B.; Chen, S. N.; Fuchs, J.; Antici, P.; Böker, J.; Swantusch, M.; Willi, O.; Borghesi, M.; Breil, J.; Feugeas, J. L.; Nicolaï, Ph.; Tikhonchuk, V. T.; D'Humières, E.; Dervieux, V.; Nakatsutsumi, M.; Romagnagni, L.; Lancia, L.; Shepherd, R.; Sentoku, Y.; Starodubtsev, M.; and others

    2015-12-15

    The dynamics of self-generated magnetic B-fields produced following the interaction of a high contrast, high intensity (I > 10{sup 19 }W cm{sup −2}) laser beam with thin (3 μm thick) solid (Al or Au) targets is investigated experimentally and numerically. Two main sources drive the growth of B-fields on the target surfaces. B-fields are first driven by laser-generated hot electron currents that relax over ∼10–20 ps. Over longer timescales, the hydrodynamic expansion of the bulk of the target into vacuum also generates B-field induced by non-collinear gradients of density and temperature. The laser irradiation of the target front side strongly localizes the energy deposition at the target front, in contrast to the target rear side, which is heated by fast electrons over a much larger area. This induces an asymmetry in the hydrodynamic expansion between the front and rear target surfaces, and consequently the associated B-fields are found strongly asymmetric. The sole long-lasting (>30 ps) B-fields are the ones growing on the target front surface, where they remain of extremely high strength (∼8–10 MG). These B-fields have been recently put by us in practical use for focusing laser-accelerated protons [B. Albertazzi et al., Rev. Sci. Instrum. 86, 043502 (2015)]; here we analyze in detail their dynamics and structure.

  18. Cavity resonance absorption in ultra-high bandwidth CRT deflection structure by a resistive load

    DOE Patents [OSTI]

    Dunham, Mark E.; Hudson, Charles L.

    1993-01-01

    An improved ultra-high bandwidth helical coil deflection structure for a hode ray tube is described comprising a first metal member having a bore therein, the metal walls of which form a first ground plane; a second metal member coaxially mounted in the bore of the first metal member and forming a second ground plane; a helical deflection coil coaxially mounted within the bore between the two ground planes; and a resistive load disposed in one end of the bore and electrically connected to the first and second ground planes, the resistive load having an impedance substantially equal to the characteristic impedance of the coaxial line formed by the two coaxial ground planes to inhibit cavity resonance in the structure within the ultra-high bandwidth of operation. Preferably, the resistive load comprises a carbon film on a surface of an end plug in one end of the bore.

  19. Cavity resonance absorption in ultra-high bandwidth CRT deflection structure by a resistive load

    DOE Patents [OSTI]

    Dunham, M.E.; Hudson, C.L.

    1993-05-11

    An improved ultra-high bandwidth helical coil deflection structure for a cathode ray tube is described comprising a first metal member having a bore therein, the metal walls of which form a first ground plane; a second metal member coaxially mounted in the bore of the first metal member and forming a second ground plane; a helical deflection coil coaxially mounted within the bore between the two ground planes; and a resistive load disposed in one end of the bore and electrically connected to the first and second ground planes, the resistive load having an impedance substantially equal to the characteristic impedance of the coaxial line formed by the two coaxial ground planes to inhibit cavity resonance in the structure within the ultra-high bandwidth of operation. Preferably, the resistive load comprises a carbon film on a surface of an end plug in one end of the bore.

  20. Fluid-Structure Interaction Modeling of High-Aspect Ratio Nuclear Fuel Plates Using COMSOL

    SciTech Connect (OSTI)

    Curtis, Franklin G [ORNL] [ORNL; Ekici, Kivanc [ORNL] [ORNL; Freels, James D [ORNL] [ORNL

    2013-01-01

    The High Flux Isotope Reactor at the Oak Ridge National Lab is in the research stage of converting its fuel from high-enriched uranium to low-enriched uranium. Due to different physical properties of the new fuel and changes to the internal fuel plate design, the current safety basis must be re-evaluated through rigorous computational analyses. One of the areas being explored is the fluid-structure interaction phenomenon due to the interaction of thin fuel plates (50 mils thickness) and the cooling fluid (water). Detailed computational fluid dynamics and fluid-structure interaction simulations have only recently become feasible due to improved numerical algorithms and advancements in computing technology. For many reasons including the already built-in fluid-structure interaction module, COMSOL has been chosen for this complex problem. COMSOL's ability to solve multiphysics problems using a fully-coupled and implicit solution algorithm is crucial in obtaining a stable and accurate solution. Our initial findings show that COMSOL can accurately model such problems due to its ability to closely couple the fluid dynamics and the structural dynamics problems.

  1. High energy density capacitors for power electronic applications using nano-structure multilayer technology

    SciTech Connect (OSTI)

    Barbee, T.W. Jr.; Johnson, G.W.

    1995-09-01

    Power electronics applications are currently limited by capacitor size and performance. Only incremental improvements are anticipated in existing capacitor technologies, while significant performance advances are required in energy density and overall performance to meet the technical needs of the applications which are important for U.S. economic competitiveness. One application, the Power Electronic Building Block (PEBB), promises a second electronics revolution in power electronic design. High energy density capacitors with excellent electrical thermal and mechanical performance represent an enabling technology in the PEBB concept. We propose a continuing program to research and develop LLNL`s nano-structure multilayer technologies for making high voltage, high energy density capacitors. Our controlled deposition techniques are capable of synthesizing extraordinarily smooth sub-micron thick layers of dielectric and conductor materials. We have demonstrated that, with this technology, high voltage capacitors with an order of magnitude improvement in energy density are achievable.

  2. Possible Diamond-Like Nanoscale Structures Induced by Slow Highly-Charged Ions on Graphite (HOPG)

    SciTech Connect (OSTI)

    Sideras-Haddad, E.; Schenkel, T.; Shrivastava, S.; Makgato, T.; Batra, A.; Weis, C. D.; Persaud, A.; Erasmus, R.; Mwakikunga, B.

    2009-01-06

    The interaction between slow highly-charged ions (SHCI) of different charge states from an electron-beam ion trap and highly oriented pyrolytic graphite (HOPG) surfaces is studied in terms of modification of electronic states at single-ion impact nanosizeareas. Results are presented from AFM/STM analysis of the induced-surface topological features combined with Raman spectroscopy. I-V characteristics for a number of different impact regions were measured with STM and the results argue for possible formation of diamond-like nanoscale structures at the impact sites.

  3. High temperature thermoelectric properties of rock-salt structure PbS

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

    Parker, David S.; Singh, David J.

    2013-12-18

    We present an analysis of the high temperature transport properties of rock-salt structure PbS, a sister compound to the better studied lead chalcogenides PbSe and PbTe. In this study, we find thermopower magnitudes exceeding 200 V/K in a wide doping range for temperatures of 800 K and above. Based on these calculations, and an analysis of recent experimental work we find that this material has a potential for high thermoelectric performance. Also, we find favorable mechanical properties, based on an analysis of published data.

  4. HIGH EFFICIENCY STRUCTURAL FLOWTHROUGH ROTOR WITH ACTIVE FLAP CONTROL: VOLUME ZERO: OVERVIEW AND COMMERCIAL PATH

    SciTech Connect (OSTI)

    Zuteck, Michael D.; Jackson, Kevin L.; Santos, Richard A.

    2015-05-16

    The Zimitar one-piece rotor primary structure is integrated, so balanced thrust and gravity loads flow through the hub region without transferring out of its composite material. Large inner rotor geometry is used since there is no need to neck down to a blade root region and pitch bearing. Rotor control is provided by a highly redundant, five flap system on each blade, sized so that easily handled standard electric linear actuators are sufficient.

  5. Surface modification of structural materials by low-energy high-current pulsed electron beam treatment

    SciTech Connect (OSTI)

    Panin, A. V. E-mail: kms@ms.tsc.ru; Kazachenok, M. S. E-mail: kms@ms.tsc.ru; Sinyakova, E. A.; Borodovitsina, O. M.; Ivanov, Yu. F.; Leontieva-Smirnova, M. V.

    2014-11-14

    Microstructure formation in surface layers of pure titanium and ferritic-martensitic steel subjected to electron beam treatment is studied. It is shown that low energy high-current pulsed electron beam irradiation leads to the martensite structure within the surface layer of pure titanium. Contrary, the columnar ferrite grains grow during solidification of ferritic-martensitic steel. The effect of electron beam energy density on the surface morphology and microstructure of the irradiated metals is demonstrated.

  6. Structure Stabilization by Mixed Anions in Oxyfluoride Cathodes for High-Energy Lithium Batteries

    SciTech Connect (OSTI)

    Kim, Sung-Wook; Pereira, Nathalie; Chernova, Natasha A.; Omenya, Fredrick; Gao, Peng; Whittingham, M. Stanley; Amatucci, Glenn G.; Su, Dong; Wang, Feng

    2015-08-24

    Mixed-anion oxyfluorides (i.e., FeOxF2-x) are an appealing alternative to pure fluorides as high-capacity cathodes in lithium batteries, with enhanced cyclability via oxygen substitution. Yet, it is still unclear how the mixed anions impact the local phase transformation and structural stability of oxyfluorides during cycling due to the complexity of electrochemical reactions, involving both lithium intercalation and conversion. Herein, we investigated the local chemical and structural ordering in FeO0.7F1.3 at length scales spanning from single particles to the bulk electrode, via a combination of electron spectrum-imaging, magnetization, electrochemistry, and synchrotron X-ray measurements. The FeO0.7F1.3 nanoparticles retain a FeF2-like rutile structure but chemically heterogeneous, with an F-rich core covered by thin O-rich shell. Upon lithiation the O-rich rutile phase is transformed into Li—Fe—O(—F) rocksalt that has high lattice coherency with converted metallic Fe, a feature that may facilitate the local electron and ion transport. The O-rich rocksalt is highly stable over lithiation/delithiation and thus advantageous to maintain the integrity of the particle, and due to its predominant distribution on the surface, it is expected to prevent the catalytic interaction of Fe with electrolyte. Our findings of the structural origin of cycling stability in oxyfluorides may provide insights into developing viable high-energy electrodes for lithium batteries.

  7. Tracing the structure of asymmetric molecules from high-order harmonic generation

    SciTech Connect (OSTI)

    Chen Yanjun; Zhang, Bing

    2011-11-15

    We investigate high-order harmonic generation (HHG) from asymmetric molecules exposed to intense laser fields. We show that the emissions of odd and even harmonics depend differently on the orientation angle, the internuclear distance, as well as the effective charge. This difference mainly comes from different roles of intramolecular interference in the HHG of odd and even harmonics. These roles map the structure of the asymmetric molecule to the odd vs even HHG spectra.

  8. High-R Walls for New Construction Structural Performance. Wind Pressure Testing

    SciTech Connect (OSTI)

    DeRenzis, A.; Kochkin, V.

    2013-01-01

    This technical report is focused primarily on laboratory testing that evaluates wind pressure performance characteristics for wall systems constructed with exterior insulating sheathing. This research and test activity will help to facilitate the ongoing use of non-structural sheathing options and provide a more in-depth understanding of how wall system layers perform in response to high wind perturbations normal to the surface.

  9. HIGH EFFICIENCY STRUCTURAL FLOWTHROUGH ROTOR WITH ACTIVE FLAP CONTROL: VOLUME TWO: INNOVATION & COST OF ENERGY

    SciTech Connect (OSTI)

    Zuteck, Michael D.; Jackson, Kevin L.; Santos, Richard A.

    2015-05-16

    The Zimitar one-piece rotor primary structure is integrated, so balanced thrust and gravity loads flow through the hub region without transferring out of its composite material. Large inner rotor geometry is used since there is no need to neck down to a blade root region and pitch bearing. Rotor control is provided by a highly redundant, five flap system on each blade, sized so that easily handled standard electric linear actuators are sufficient.

  10. HIGH EFFICIENCY STRUCTURAL FLOWTHROUGH ROTOR WITH ACTIVE FLAP CONTROL: VOLUME ONE: PRELIMINARY DESIGN REPORT

    SciTech Connect (OSTI)

    Zuteck, Michael D.; Jackson, Kevin L.; Santos, Richard A.; Chow, Ray; Nordenholz, Thomas R.; Wamble, John Lee

    2015-05-16

    The Zimitar one-piece rotor primary structure is integrated, so balanced thrust and gravity loads flow through the hub region without transferring out of its composite material. Large inner rotor geometry is used since there is no need to neck down to a blade root region and pitch bearing. Rotor control is provided by a highly redundant, five flap system on each blade, sized so that easily handled standard electric linear actuators are sufficient.

  11. Intergrating Magnetotellurics, Soil Gas Geochemistry and Structural Analysis to Identify Hidden, High Enthalpy, Extensional Geothermal Systems

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

    Integrating Magnetotellurics, Soil Gas Geochemistry and Structural Analysis to Identify Hidden, High-Enthalpy, Extensional Geothermal Systems Principal Investigator: Philip E. Wannamaker University of Utah Energy & Geoscience Institute 423 Wakara Way, Ste 300 Salt Lake City, UT 84108 pewanna@egi.utah.edu April 24, 2013 This presentation does not contain any proprietary confidential, or otherwise restricted information. Track1: Geophysics McGinness Hills, NV October, 2011 2 | US DOE

  12. HIGH EFFICIENCY STRUCTURAL FLOWTHROUGH ROTOR WITH ACTIVE FLAP CONTROL: VOLUME THREE: MARKET & TEAM

    SciTech Connect (OSTI)

    Zuteck, Michael D.; Jackson, Kevin L.; Santos, Richard A.

    2015-05-16

    The Zimitar one-piece rotor primary structure is integrated, so balanced thrust and gravity loads flow through the hub region without transferring out of its composite material. Large inner rotor geometry is used since there is no need to neck down to a blade root region and pitch bearing. Rotor control is provided by a highly redundant, five flap system on each blade, sized so that easily handled standard electric linear actuators are sufficient.

  13. Performance analysis of high quality parallel preconditioners applied to 3D finite element structural analysis

    SciTech Connect (OSTI)

    Kolotilina, L.; Nikishin, A.; Yeremin, A.

    1994-12-31

    The solution of large systems of linear equations is a crucial bottleneck when performing 3D finite element analysis of structures. Also, in many cases the reliability and robustness of iterative solution strategies, and their efficiency when exploiting hardware resources, fully determine the scope of industrial applications which can be solved on a particular computer platform. This is especially true for modern vector/parallel supercomputers with large vector length and for modern massively parallel supercomputers. Preconditioned iterative methods have been successfully applied to industrial class finite element analysis of structures. The construction and application of high quality preconditioners constitutes a high percentage of the total solution time. Parallel implementation of high quality preconditioners on such architectures is a formidable challenge. Two common types of existing preconditioners are the implicit preconditioners and the explicit preconditioners. The implicit preconditioners (e.g. incomplete factorizations of several types) are generally high quality but require solution of lower and upper triangular systems of equations per iteration which are difficult to parallelize without deteriorating the convergence rate. The explicit type of preconditionings (e.g. polynomial preconditioners or Jacobi-like preconditioners) require sparse matrix-vector multiplications and can be parallelized but their preconditioning qualities are less than desirable. The authors present results of numerical experiments with Factorized Sparse Approximate Inverses (FSAI) for symmetric positive definite linear systems. These are high quality preconditioners that possess a large resource of parallelism by construction without increasing the serial complexity.

  14. Missing Money--Will the Current Electricity Market Structure Support High (~50%) Wind/Solar?; NREL (National Renewable Energy Laboratory)

    SciTech Connect (OSTI)

    Milligan, Michael

    2015-05-15

    This presentation summarizes the missing money problem and whether the current electricity market structure will support high penetration levels of wind and solar.

  15. The interaction of high-speed turbulence with flames: Global properties and internal flame structure

    SciTech Connect (OSTI)

    Poludnenko, A.Y.; Oran, E.S. [Laboratory for Computational Physics and Fluid Dynamics, Naval Research Laboratory, Washington, DC 20375 (United States)

    2010-05-15

    We study the dynamics and properties of a turbulent flame, formed in the presence of subsonic, high-speed, homogeneous, isotropic Kolmogorov-type turbulence in an unconfined system. Direct numerical simulations are performed with Athena-RFX, a massively parallel, fully compressible, high-order, dimensionally unsplit, reactive flow code. A simplified reaction-diffusion model represents a stoichiometric H{sub 2}-air mixture. The system being modeled represents turbulent combustion with the Damkoehler number Da=0.05 and with the turbulent velocity at the energy injection scale 30 times larger than the laminar flame speed. The simulations show that flame interaction with high-speed turbulence forms a steadily propagating turbulent flame with a flame brush width approximately twice the energy injection scale and a speed four times the laminar flame speed. A method for reconstructing the internal flame structure is described and used to show that the turbulent flame consists of tightly folded flamelets. The reaction zone structure of these is virtually identical to that of the planar laminar flame, while the preheat zone is broadened by approximately a factor of two. Consequently, the system evolution represents turbulent combustion in the thin reaction zone regime. The turbulent cascade fails to penetrate the internal flame structure, and thus the action of small-scale turbulence is suppressed throughout most of the flame. Finally, our results suggest that for stoichiometric H{sub 2}-air mixtures, any substantial flame broadening by the action of turbulence cannot be expected in all subsonic regimes. (author)

  16. Road Map for Studies to Produce Consistent and High Performance SRF Accelerator Structures

    SciTech Connect (OSTI)

    Ganapati Rao Myneni; John F. OHanlon

    2007-06-20

    Superconducting Radio Frequency (SRF) accelerator structures made from high purity niobium are becoming the technological choice for a large number of future accelerators and energy recovery LINACs (ERL). Most of the presently planned accelerators and ERL requirements will be met with some effort by the current SRF technology where accelerating gradients of about 20 MV/m can be produced on a routine basis with an acceptable yield. However, the XFEL at DESY and the planned ILC require acceleration gradients more than 28 MV/m and 35 MV/m respectively. At the recent ILC meeting at Snowmass (2005) concern was expressed regarding the wide spread in the achieved accelerator gradients and the relatively low yields. For obtaining accelerating gradients of 35 MV/m in SRF accelerator structures consistently, a deeper understanding of the causes for the spread has to be gained and advances have to be made in many scientific and high technology fields, including materials, surface and vacuum sciences, application of reliable processes and procedures, which provide contamination free surfaces and avoid recontamination and cryogenics related technologies. In this contribution a road map for studies needed to produce consistent and high performance SRF accelerator structures from the needed materials development to clean and non-recontaminating processes and procedures will be presented.

  17. Understanding the Structure of High-K Gate Oxides - Oral Presentation

    SciTech Connect (OSTI)

    Miranda, Andre

    2015-08-25

    Hafnium Oxide (HfO2) amorphous thin films are being used as gate oxides in transistors because of their high dielectric constant (κ) over Silicon Dioxide. The present study looks to find the atomic structure of HfO2 thin films which hasn’t been done with the technique of this study. In this study, two HfO2 samples were studied. One sample was made with thermal atomic layer deposition (ALD) on top of a Chromium and Gold layer on a silicon wafer. The second sample was made with plasma ALD on top of a Chromium and Gold layer on a Silicon wafer. Both films were deposited at a thickness of 50nm. To obtain atomic structure information, Grazing Incidence X-ray diffraction (GIXRD) was carried out on the HfO2 samples. Because of this, absorption, footprint, polarization, and dead time corrections were applied to the scattering intensity data collected. The scattering curves displayed a difference in structure between the ALD processes. The plasma ALD sample showed the broad peak characteristic of an amorphous structure whereas the thermal ALD sample showed an amorphous structure with characteristics of crystalline materials. This appears to suggest that the thermal process results in a mostly amorphous material with crystallites within. Further, the scattering intensity data was used to calculate a pair distribution function (PDF) to show more atomic structure. The PDF showed atom distances in the plasma ALD sample had structure up to 10 Å, while the thermal ALD sample showed the same structure below 10 Å. This structure that shows up below 10 Å matches the bond distances of HfO2 published in literature. The PDF for the thermal ALD sample also showed peaks up to 20 Å, suggesting repeating atomic spacing outside the HfO2 molecule in the sample. This appears to suggest that there is some crystalline structure within the thermal ALD sample.

  18. High-resolution structure of a retroviral protease folded as a monomer

    SciTech Connect (OSTI)

    Gilski, Miroslaw [A. Mickiewicz University, 60-780 Poznan (Poland); Polish Academy of Sciences, 61-704 Poznan (Poland); Kazmierczyk, Maciej; Krzywda, Szymon [A. Mickiewicz University, 60-780 Poznan (Poland); Zbransk, Helena [Academy of Sciences of the Czech Republic, 166 10 Prague (Czech Republic); Cooper, Seth; Popovi?, Zoran [University of Washington, Box 352350, Seattle, WA 98195 (United States); Khatib, Firas; DiMaio, Frank; Thompson, James; Baker, David [University of Washington, Box 357350, Seattle, WA 98195 (United States); Pichov, Iva [Academy of Sciences of the Czech Republic, 166 10 Prague (Czech Republic); Jaskolski, Mariusz, E-mail: mariuszj@amu.edu.pl [A. Mickiewicz University, 60-780 Poznan (Poland); Polish Academy of Sciences, 61-704 Poznan (Poland)

    2011-11-01

    The crystal structure of MasonPfizer monkey virus protease folded as a monomer has been solved by molecular replacement using a model generated by players of the online game Foldit. The structure shows at high resolution the details of a retroviral protease folded as a monomer which can guide rational design of protease dimerization inhibitors as retroviral drugs. MasonPfizer monkey virus (M-PMV), a D-type retrovirus assembling in the cytoplasm, causes simian acquired immunodeficiency syndrome (SAIDS) in rhesus monkeys. Its pepsin-like aspartic protease (retropepsin) is an integral part of the expressed retroviral polyproteins. As in all retroviral life cycles, release and dimerization of the protease (PR) is strictly required for polyprotein processing and virion maturation. Biophysical and NMR studies have indicated that in the absence of substrates or inhibitors M-PMV PR should fold into a stable monomer, but the crystal structure of this protein could not be solved by molecular replacement despite countless attempts. Ultimately, a solution was obtained in mr-rosetta using a model constructed by players of the online protein-folding game Foldit. The structure indeed shows a monomeric protein, with the N- and C-termini completely disordered. On the other hand, the flap loop, which normally gates access to the active site of homodimeric retropepsins, is clearly traceable in the electron density. The flap has an unusual curled shape and a different orientation from both the open and closed states known from dimeric retropepsins. The overall fold of the protein follows the retropepsin canon, but the C{sup ?} deviations are large and the active-site DTG loop (here NTG) deviates up to 2.7 from the standard conformation. This structure of a monomeric retropepsin determined at high resolution (1.6 ) provides important extra information for the design of dimerization inhibitors that might be developed as drugs for the treatment of retroviral infections, including

  19. Nano-sized structured layered positive electrode materials to enable high energy density and high rate capability lithium batteries

    DOE Patents [OSTI]

    Deng, Haixia; Belharouak, Ilias; Amine, Khalil

    2012-10-02

    Nano-sized structured dense and spherical layered positive active materials provide high energy density and high rate capability electrodes in lithium-ion batteries. Such materials are spherical second particles made from agglomerated primary particles that are Li.sub.1+.alpha.(Ni.sub.xCo.sub.yMn.sub.z).sub.1-tM.sub.tO.sub.2-dR.sub.d- , where M is selected from can be Al, Mg, Fe, Cu, Zn, Cr, Ag, Ca, Na, K, In, Ga, Ge, V, Mo, Nb, Si, Ti, Zr, or a mixture of any two or more thereof, R is selected from F, Cl, Br, I, H, S, N, or a mixture of any two or more thereof, and 0.ltoreq..alpha..ltoreq.0.50; 0

  20. Structure Stabilization by Mixed Anions in Oxyfluoride Cathodes for High-Energy Lithium Batteries

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

    Kim, Sung-Wook; Pereira, Nathalie; Chernova, Natasha A.; Omenya, Fredrick; Gao, Peng; Whittingham, M. Stanley; Amatucci, Glenn G.; Su, Dong; Wang, Feng

    2015-08-24

    Mixed-anion oxyfluorides (i.e., FeOxF2-x) are an appealing alternative to pure fluorides as high-capacity cathodes in lithium batteries, with enhanced cyclability via oxygen substitution. Yet, it is still unclear how the mixed anions impact the local phase transformation and structural stability of oxyfluorides during cycling due to the complexity of electrochemical reactions, involving both lithium intercalation and conversion. Herein, we investigated the local chemical and structural ordering in FeO0.7F1.3 at length scales spanning from single particles to the bulk electrode, via a combination of electron spectrum-imaging, magnetization, electrochemistry, and synchrotron X-ray measurements. The FeO0.7F1.3 nanoparticles retain a FeF2-like rutile structuremore » but chemically heterogeneous, with an F-rich core covered by thin O-rich shell. Upon lithiation the O-rich rutile phase is transformed into Li—Fe—O(—F) rocksalt that has high lattice coherency with converted metallic Fe, a feature that may facilitate the local electron and ion transport. The O-rich rocksalt is highly stable over lithiation/delithiation and thus advantageous to maintain the integrity of the particle, and due to its predominant distribution on the surface, it is expected to prevent the catalytic interaction of Fe with electrolyte. Our findings of the structural origin of cycling stability in oxyfluorides may provide insights into developing viable high-energy electrodes for lithium batteries.« less

  1. Solar wind suprathermal electron Stahl widths across high-speed stream structures

    SciTech Connect (OSTI)

    Skoug, Ruth M [Los Alamos National Laboratory; Steinberg, John T [Los Alamos National Laboratory; Goodrich, Katherine A [Los Alamos National Laboratory; Anderson, Brett R [DARTMUTH UNIV.

    2011-01-03

    Suprathermal electrons (100-1500 eV) observed in the solar wind typically show a strahl distribution, that is, a beam directed away from the Sun along the magnetic field direction. The strahl width observed at 1 AU is highly variable, ranging from 10-70 degrees. The obsenred finite width of the strahl results from the competition between beam focusing as the interplanetary magnetic field strength drops with distance from the Sun, and pitch-angle scattering as the beam interacts with the solar wind plasma in transit from the sun. Here we examine strahl width, observed with ACE SWEPAM across high-speed stream structures to investigate variations in electron scattering as a function of local plasma characteristics. We find that narrow strahls (less than 20 degrees wide), indicating reduced scattering, are observed within high-speed streams. Narrow strahls are also observed in both very low temperature solar wind, in association with ICMEs. Case studies of high-speed streams typically show the strahl narrowing at the leading edge of the stream. In some cases, the strahl narrows at the reverse shock or pressure wave, in other cases at the stream interface. The narrowing can either occur discontinuously or gradually over a period of hours. Within the high-speed wind, the strahl remains narrow for a period of hours to days, and then gradually broadens. The strahl width is roughly constant at all energies across these structures. For some fraction of high-speed streams, counterstreaming is associated with passage of the corotating interaction region. In these cases, we find the widths of the two counterstreaming beams frequently differ by more than 40 degrees. This dramatic difference in strahl width contrasts with observations in the solar wind as a whole, in which counterstreaming strahls typically differ in width by less than 20 degrees.

  2. High-Resolution Structure of the Photosynthetic Mn4Ca Catalyst from X-ray Spectroscopy

    SciTech Connect (OSTI)

    Yachandra, Vittal; Yano, Junko; Kern, Jan; Pushkar, Yulia; Sauer, Kenneth; Glatzel, Pieter; Bergmann, Uwe; Messinger, Johannes; Zouni, Athina; Yachandra, Vittal K.

    2007-08-01

    The application of high-resolution X-ray spectroscopy methods to study the photosynthetic water oxidizing complex, which contains a unique hetero-nuclear catalytic Mn4Ca cluster, are described. Issues of X-ray damage especially at the metal sites in the Mn4Ca cluster are discussed. The structure of the Mn4Ca catalyst at high-resolution which has so far eluded attempts of determination by X-ray diffraction, EXAFS and other spectroscopic techniques has been addressed using polarized EXAFS techniques applied to oriented PS II membrane preparations and PS II single crystals. A review of how the resolution of traditional EXAFS techniques can be improved, using methods such as range-extended EXAFS is presented, and the changes that occur in the structure of the cluster as it advances through the catalytic cycle are described. X-ray absorption and emission techniques (XANES and K? emission) have been used earlier to determine the oxidation states of the Mn4Ca cluster, and in this report we review the use of X-ray resonant Raman spectroscopy to understand the electronic structure of the Mn4Ca cluster as it cycles through the intermediate S-states.

  3. High Efficiency Solar-based Catalytic Structure for CO{sub 2} Reforming

    SciTech Connect (OSTI)

    Menkara, Hisham

    2013-09-30

    Throughout this project, we developed and optimized various photocatalyst structures for CO{sub 2} reforming into hydrocarbon fuels and various commodity chemical products. We also built several closed-loop and continuous fixed-bed photocatalytic reactor system prototypes for a larger-scale demonstration of CO{sub 2} reforming into hydrocarbons, mainly methane and formic acid. The results achieved have indicated that with each type of reactor and structure, high reforming yields can be obtained by refining the structural and operational conditions of the reactor, as well as by using various sacrificial agents (hole scavengers). We have also demonstrated, for the first time, that an aqueous solution containing acid whey (a common bio waste) is a highly effective hole scavenger for a solar-based photocatalytic reactor system and can help reform CO{sub 2} into several products at once. The optimization tasks performed throughout the project have resulted in efficiency increase in our conventional reactors from an initial 0.02% to about 0.25%, which is 10X higher than our original project goal. When acid whey was used as a sacrificial agent, the achieved energy efficiency for formic acid alone was ~0.4%, which is 16X that of our original project goal and higher than anything ever reported for a solar-based photocatalytic reactor. Therefore, by carefully selecting sacrificial agents, it should be possible to reach energy efficiency in the range of the photosynthetic efficiency of typical crop and biofuel plants (1-3%).

  4. Structural phase transitions in Bi2Se3 under high pressure

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

    Yu, Zhenhai; Gu, Genda; Wang, Lin; Hu, Qingyang; Zhao, Jinggeng; Yan, Shuai; Yang, Ke; Sinogeikin, Stanislav; Mao, Ho -kwang

    2015-11-02

    Raman spectroscopy and angle dispersive X-ray diffraction (XRD) experiments of bismuth selenide (Bi2Se3) have been carried out to pressures of 35.6 and 81.2 GPa, respectively, to explore its pressure-induced phase transformation. The experiments indicate that a progressive structural evolution occurs from an ambient rhombohedra phase (Space group (SG): R-3m) to monoclinic phase (SG: C2/m) and eventually to a high pressure body-centered tetragonal phase (SG: I4/mmm). Evidenced by our XRD data up to 81.2 GPa, the Bi2Se3 crystallizes into body-centered tetragonal structures rather than the recently reported disordered body-centered cubic (BCC) phase. Furthermore, first principles theoretical calculations favor the viewpoint thatmore » the I4/mmm phase Bi2Se3 can be stabilized under high pressure (>30 GPa). Remarkably, the Raman spectra of Bi2Se3 from this work (two independent runs) are still Raman active up to ~35 GPa. Furthermore, it is worthy to note that the disordered BCC phase at 27.8 GPa is not observed here. The remarkable difference in atomic radii of Bi and Se in Bi2Se3 may explain why Bi2Se3 shows different structural behavior than isocompounds Bi2Te3 and Sb2Te3.« less

  5. High Curie temperature of Ce-Fe-Si compounds with ThMn12 structure

    SciTech Connect (OSTI)

    Zhou, C; Pinkerton, FE; Herbst, JF

    2015-01-15

    We report the discovery of ternary CeFe(12-x)Si(x)compounds possessing the ThMn12 structure. The samples were prepared by melt spinning followed by annealing. In contrast to other known Ce Fe-based binary and ternary compounds, CeFe12-xSix compounds exhibit exceptionally high Curie temperatures whose values increase with added Si substitution. The highest T. = 583 K in CeFe10Si2 rivals that of the well-established Nd2Fe14B compound. We ascribe the T-c behavior to a combination of Si-induced 3d band structure changes and partial Ce3+ stabilization. (C) 2014 Published by Elsevier Ltd.

  6. Structural and magnetic phase transitions in gadolinium under high pressures and low temperatures

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

    Samudrala, Gopi K.; Tsoi, Georgiy M.; Weir, Samuel T.; Vohra, Yogesh K.

    2014-11-07

    High pressure structural transition studies have been carried out on rare earth metal gadolinium in a diamond anvil cell at room temperature to 169 GPa. Gadolinium has been compressed to 38% of its initial volume at this pressure. With increasing pressure, a crystal structure sequence of hcp → Smtype→ dhcp → fcc → dfcc → monoclinic has been observed in our studies on gadolinium. The measured equation of state of gadolinium is presented to 169 GPa at ambient temperature. Magnetic ordering temperature of gadolinium has been studied using designer diamond anvils to a pressure of 25 GP and a temperaturemore » of 10 K. The magnetic ordering temperature has been determined from the four-point electrical resistivity measurements carried out on gadolinium. Furthermore, our experiments show that the magnetic transition temperature decreases with increasing pressure to 19 GPa and then increases when gadolinium is subjected to higher pressures.« less

  7. Structural and magnetic phase transitions in gadolinium under high pressures and low temperatures

    SciTech Connect (OSTI)

    Samudrala, Gopi K.; Tsoi, Georgiy M.; Weir, Samuel T.; Vohra, Yogesh K.

    2014-11-07

    High pressure structural transition studies have been carried out on rare earth metal gadolinium in a diamond anvil cell at room temperature to 169 GPa. Gadolinium has been compressed to 38% of its initial volume at this pressure. With increasing pressure, a crystal structure sequence of hcp → Smtype→ dhcp → fcc → dfcc → monoclinic has been observed in our studies on gadolinium. The measured equation of state of gadolinium is presented to 169 GPa at ambient temperature. Magnetic ordering temperature of gadolinium has been studied using designer diamond anvils to a pressure of 25 GP and a temperature of 10 K. The magnetic ordering temperature has been determined from the four-point electrical resistivity measurements carried out on gadolinium. Furthermore, our experiments show that the magnetic transition temperature decreases with increasing pressure to 19 GPa and then increases when gadolinium is subjected to higher pressures.

  8. Metal segregation in hierarchically structured cathode materials for high-energy lithium batteries

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

    Lin, Feng; Xin, Huolin L.; Nordlund, Dennis; Li, Yuyi; Quan, Matthew K.; Cheng, Lei; Weng, Tsu -Chien; Liu, Yijin; Doeff, Marca M.

    2016-01-11

    Controlling surface and interfacial properties of battery materials is key to improving performance in rechargeable Li-ion devices. Surface reconstruction from a layered to a rock salt structure in metal oxide cathode materials is commonly observed and results in poor high-voltage cycling performance, impeding attempts to improve energy density. Hierarchically structured LiNi0.4Mn0.4Co0.2O2 (NMC-442) spherical powders, made by spray pyrolysis, exhibit local elemental distribution gradients that deviate from the global NMC-442 composition; specifically, they are Ni-rich and Mn-poor at particle surfaces. These materials demonstrate improved Coulombic efficiencies, discharge capacities, and high-voltage capacity retention in lithium half-cell configurations. The subject powders show superiormore » resistance against surface reconstruction due to the tailored surface chemistry, compared to conventional NMC-442 materials. This paves the way towards the development of a new generation of robust and stable high-energy NMC cathodes for Li-ion batteries.« less

  9. High-throughput analysis of T-DNA location and structure using sequence capture

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

    Inagaki, Soichi; Henry, Isabelle M.; Lieberman, Meric C.; Comai, Luca

    2015-10-07

    Agrobacterium-mediated transformation of plants with T-DNA is used both to introduce transgenes and for mutagenesis. Conventional approaches used to identify the genomic location and the structure of the inserted T-DNA are laborious and high-throughput methods using next-generation sequencing are being developed to address these problems. Here, we present a cost-effective approach that uses sequence capture targeted to the T-DNA borders to select genomic DNA fragments containing T-DNA—genome junctions, followed by Illumina sequencing to determine the location and junction structure of T-DNA insertions. Multiple probes can be mixed so that transgenic lines transformed with different T-DNA types can be processed simultaneously,more » using a simple, index-based pooling approach. We also developed a simple bioinformatic tool to find sequence read pairs that span the junction between the genome and T-DNA or any foreign DNA. We analyzed 29 transgenic lines of Arabidopsis thaliana, each containing inserts from 4 different T-DNA vectors. We determined the location of T-DNA insertions in 22 lines, 4 of which carried multiple insertion sites. Additionally, our analysis uncovered a high frequency of unconventional and complex T-DNA insertions, highlighting the needs for high-throughput methods for T-DNA localization and structural characterization. Transgene insertion events have to be fully characterized prior to use as commercial products. As a result, our method greatly facilitates the first step of this characterization of transgenic plants by providing an efficient screen for the selection of promising lines.« less

  10. High-throughput analysis of T-DNA location and structure using sequence capture

    SciTech Connect (OSTI)

    Inagaki, Soichi; Henry, Isabelle M.; Lieberman, Meric C.; Comai, Luca

    2015-10-07

    Agrobacterium-mediated transformation of plants with T-DNA is used both to introduce transgenes and for mutagenesis. Conventional approaches used to identify the genomic location and the structure of the inserted T-DNA are laborious and high-throughput methods using next-generation sequencing are being developed to address these problems. Here, we present a cost-effective approach that uses sequence capture targeted to the T-DNA borders to select genomic DNA fragments containing T-DNA—genome junctions, followed by Illumina sequencing to determine the location and junction structure of T-DNA insertions. Multiple probes can be mixed so that transgenic lines transformed with different T-DNA types can be processed simultaneously, using a simple, index-based pooling approach. We also developed a simple bioinformatic tool to find sequence read pairs that span the junction between the genome and T-DNA or any foreign DNA. We analyzed 29 transgenic lines of Arabidopsis thaliana, each containing inserts from 4 different T-DNA vectors. We determined the location of T-DNA insertions in 22 lines, 4 of which carried multiple insertion sites. Additionally, our analysis uncovered a high frequency of unconventional and complex T-DNA insertions, highlighting the needs for high-throughput methods for T-DNA localization and structural characterization. Transgene insertion events have to be fully characterized prior to use as commercial products. As a result, our method greatly facilitates the first step of this characterization of transgenic plants by providing an efficient screen for the selection of promising lines.

  11. Improved Structure and Fabrication of Large, High-Power KHPS Rotors - Final Scientific/Technical Report

    SciTech Connect (OSTI)

    Corren, Dean; Colby, Jonathan; Adonizio, Mary Ann

    2013-01-29

    Verdant Power, Inc, working in partnership with the National Renewable Energy Laboratory (NREL), Sandia National Laboratories (SNL), and the University of Minnesota St. Anthony Falls Laboratory (SAFL), among other partners, used evolving Computational Fluid Dynamics (CFD) and Finite Element Analysis (FEA) models and techniques to improve the structure and fabrication of large, high-power composite Kinetic Hydropower System (KHPS) rotor blades. The objectives of the project were to: design; analyze; develop for manufacture and fabricate; and thoroughly test, in the lab and at full scale in the water, the improved KHPS rotor blade.

  12. Formation of surface nano-structures by plasma expansion induced by highly charged ions

    SciTech Connect (OSTI)

    Moslem, W. M.; El-Said, A. S.

    2012-12-15

    Slow highly charged ions (HCIs) create surface nano-structures (nano-hillocks) on the quartz surface. The formation of hillocks was only possible by surpassing a potential energy threshold. By using the plasma expansion approach with suitable hydrodynamic equations, the creation mechanism of the nano-hillocks induced by HCIs is explained. Numerical analysis reveal that within the nanoscale created plasma region, the increase of the temperature causes an increase of the self-similar solution validity domain, and consequently the surface nano-hillocks become taller. Furthermore, the presence of the negative (positive) nano-dust particles would lead to increase (decrease) the nano-hillocks height.

  13. Modeling the Structural Response from a Propagating High Explosive Using Smooth Particle Hydrodynamics

    SciTech Connect (OSTI)

    Margraf, J

    2012-06-12

    This report primarily concerns the use of two massively parallel finite element codes originally written and maintained at Lawrence Livermore National Laboratory. ALE3D is an explicit hydrodynamics code commonly employed to simulate wave propagation from high energy scenarios and the resulting interaction with nearby structures. This coupled response ensures that a structure is accurately applied with a blast loading varying both in space and time. Figure 1 illustrates the radial outward propagation of a pressure wave due to a center detonated spherical explosive originating from the lower left. The radial symmetry seen in this scenario is lost when instead a cylindrocal charge is detonated. Figure 2 indicates that a stronger, faster traveling pressure wave occurs in the direction of the normal axis to the cylinder. The ALE3D name is derived because of the use of arbitrary-Lagrange-Eulerian elements in which the mesh is allowed to advect; a process through which the mesh is modified to alleviate tanlging and general mesh distortion often cuased by high energy scenarios. The counterpart to an advecting element is a Lagrange element, whose mesh moves with the material. Ideally all structural components are kept Lagrange as long as possible to preserve accuracy of material variables and minimize advection related errors. Advection leads to mixed zoning, so using structural Lagrange elements also improves the visualization when post processing the results. A simplified representation of the advection process is shown in Figure 3. First the mesh is distorted due to material motion during the Lagrange step. The mesh is then shifted to an idealized and less distorted state to prevent irregular zones caused by the Lagrange motion. Lastly, the state variables are remapped to the elements of the newly constructed mesh. Note that Figure 3 represents a purely Eulerian mesh relaxation because the mesh is relocated back to the pre-Lagrange position. This is the case when the

  14. High resolution interface nanochemistry and structure: Final project report, December 1, 1993--February 28, 1997

    SciTech Connect (OSTI)

    Carpenter, R.W.; Lin, S.H.

    1997-02-27

    Work includes studies of interface and grain boundary chemistry and structure in silicon nitride matrix/silicon carbide whisker composites, and in monolithic silicon nitride and silicon carbide synthesized by several different methods. Off-stoichiometric, impurity, and sintering aid elemental distributions in these materials (and other ceramics) have been of great interest because of expected effects on properties but these distributions have proven very difficult to measure because the spatial resolution required is high. The authors made a number of these measurements for the first time, using techniques and instrumentation developed here. Interfaces between metals and SiC are the basis for important metal matrix composites and contacts for high temperature SiC-based solid state electronic devices. The authors have investigated ultrapure interfaces between Ti, Hf, Ti-Hf alloys, Pt, and Co and Si-terminated (0001) 6H SiC single crystals for the first time.

  15. Microscopic silicon-based lateral high-aspect-ratio structures for thin film conformality analysis

    SciTech Connect (OSTI)

    Gao, Feng; Arpiainen, Sanna; Puurunen, Riikka L.

    2015-01-15

    Film conformality is one of the major drivers for the interest in atomic layer deposition (ALD) processes. This work presents new silicon-based microscopic lateral high-aspect-ratio (LHAR) test structures for the analysis of the conformality of thin films deposited by ALD and by other chemical vapor deposition means. The microscopic LHAR structures consist of a lateral cavity inside silicon with a roof supported by pillars. The cavity length (e.g., 20–5000 μm) and cavity height (e.g., 200–1000 nm) can be varied, giving aspect ratios of, e.g., 20:1 to 25 000:1. Film conformality can be analyzed with the microscopic LHAR by several means, as demonstrated for the ALD Al{sub 2}O{sub 3} and TiO{sub 2} processes from Me{sub 3}Al/H{sub 2}O and TiCl{sub 4}/H{sub 2}O. The microscopic LHAR test structures introduced in this work expose a new parameter space for thin film conformality investigations expected to prove useful in the development, tuning and modeling of ALD and other chemical vapor deposition processes.

  16. Substrate Structures For Growth Of Highly Oriented And/Or Epitaxial Layers Thereon

    DOE Patents [OSTI]

    Arendt, Paul N.; Foltyn, Stephen R.; Groves, James R.; Jia, Quanxi

    2005-07-26

    A composite substrate structure including a substrate, a layer of a crystalline metal oxide or crystalline metal oxynitride material upon the substrate, a layer of an oriented cubic oxide material having a rock-salt-like structure upon the crystalline metal oxide or crystalline metal oxynitride material layer is provided together with additional layers such as one or more layers of a buffer material upon the oriented cubic oxide material layer. Jc's of 2.3×106 A/cm2 have been demonstrated with projected Ic's of 320 Amperes across a sample 1 cm wide for a superconducting article including a flexible polycrystalline metallic substrate, an inert oxide material layer upon the surface of the flexible polycrystalline metallic substrate, a layer of a crystalline metal oxide or crystalline metal oxynitride material upon the layer of the inert oxide material, a layer of an oriented cubic oxide material having a rock-salt-like structure upon the crystalline metal oxide or crystalline metal oxynitride material layer, a layer of a buffer material upon the oriented cubic oxide material layer, and, a top-layer of a high temperature superconducting material upon the layer of a buffer material.

  17. A highly-active and stable hydrogen evolution catalyst based on pyrite-structured cobalt phosphosulfide

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

    Liu, Wen; Hu, Enyuan; Jiang, Hong; Xiang, Yingjie; Weng, Zhe; Li, Min; Fan, Qi; Yu, Xiqian; Altman, Eric I.; Wang, Hailiang

    2016-02-19

    Rational design and controlled synthesis of hybrid structures comprising multiple components with distinctive functionalities are an intriguing and challenging approach to materials development for important energy applications like electrocatalytic hydrogen production, where there is a great need for cost effective, active and durable catalyst materials to replace the precious platinum. Here we report a structure design and sequential synthesis of a highly active and stable hydrogen evolution electrocatalyst material based on pyrite-structured cobalt phosphosulfide nanoparticles grown on carbon nanotubes. The three synthetic steps in turn render electrical conductivity, catalytic activity and stability to the material. The hybrid material exhibits superiormore » activity for hydrogen evolution, achieving current densities of 10 mA cm–2 and 100 mA cm–2 at overpotentials of 48 mV and 109 mV, respectively. Lastly, phosphorus substitution is crucial for the chemical stability and catalytic durability of the material, the molecular origins of which are uncovered by X-ray absorption spectroscopy and computational simulation.« less

  18. Strong gravitational lensing as a tool to investigate the structure of jets at high energies

    SciTech Connect (OSTI)

    Barnacka, Anna; Geller, Margaret J.; Benbow, Wystan; Dell'antonio, Ian P.

    2014-06-20

    The components of blazar jets that emit radiation span a factor of 10{sup 10} in scale. The spatial structure of these emitting regions depends on the observed energy. Photons emitted at different sites cross the lens plane at different distances from the mass-weighted center of the lens. Thus there are differences in magnification ratios and time delays between the images of lensed blazars observed at different energies. When the lens structure and redshift are known from optical observations, these constraints can elucidate the structure of the source at high energies. At these energies, current technology is inadequate to resolve these sources, and the observed light curve is thus the sum of the images. Durations of ?-ray flares are short compared with typical time delays; thus both the magnification ratio and the time delay can be measured for the delayed counterparts. These measurements are a basis for localizing the emitting region along the jet. To demonstrate the power of strong gravitational lensing, we build a toy model based on the best studied and the nearest relativistic jet M87.

  19. Substrate Structures For Growth Of Highly Oriented And/Or Epitaxial Layers Thereon

    DOE Patents [OSTI]

    Arendt, Paul N. (Los Alamos, NM); Foltyn, Stephen R. (Los Alamos, NM); Groves, James R. (Los Alamos, NM); Jia, Quanxi (Los Alamos, NM)

    2005-07-26

    A composite substrate structure including a substrate, a layer of a crystalline metal oxide or crystalline metal oxynitride material upon the substrate, a layer of an oriented cubic oxide material having a rock-salt-like structure upon the crystalline metal oxide or crystalline metal oxynitride material layer is provided together with additional layers such as one or more layers of a buffer material upon the oriented cubic oxide material layer. Jc's of 2.3106 A/cm2 have been demonstrated with projected Ic's of 320 Amperes across a sample 1 cm wide for a superconducting article including a flexible polycrystalline metallic substrate, an inert oxide material layer upon the surface of the flexible polycrystalline metallic substrate, a layer of a crystalline metal oxide or crystalline metal oxynitride material upon the layer of the inert oxide material, a layer of an oriented cubic oxide material having a rock-salt-like structure upon the crystalline metal oxide or crystalline metal oxynitride material layer, a layer of a buffer material upon the oriented cubic oxide material layer, and, a top-layer of a high temperature superconducting material upon the layer of a buffer material.

  20. Insensitive high-energy energetic structural material of tungsten-polytetrafluoroethylene-aluminum composites

    SciTech Connect (OSTI)

    Wang, Liu; Liu, Jinxu Zhang, Xinbo; Li, Shukui

    2015-11-15

    Energetic structural material is a kind of materials that are inert under normal conditions but could produce exothermic chemical reaction when subjected to impact. This report shows a kind of energetic structural material of tungsten (W)-polytetrafluoroethylene (PTFE)-aluminum (Al) with density of 4.12 g/cm{sup 3}, excellent ductility and dynamic compressive strength of 96 MPa. Moreover, 50W-35PTFE-15Al (wt%) can exhibit a high reaction energy value of more than 2 times of TNT per unit mass and 5 times of TNT per unit volume, respectively, but with excellent insensitivity compared with traditional explosives. Under thermal conditions, the W-PTFE-Al composite can keep stable at 773 K. Under impact loading, when the strain rate up to ∼4820 s{sup −1} coupled with the absorbed energy per unit volume of 120 J/cm{sup 3}, deflagration occurs and combustion lasts for 500 μs. During impact compressive deformation, the PTFE matrix is elongated into nano-fibers, thus significantly increases the reaction activity of W-PTFE-Al composites. The nano-fiber structure is necessary for the reaction of W-PTFE-Al composites. The formation of PTFE nano-fibers must undergo severe plastic deformation, and therefore the W-PTFE-Al composites exhibit excellent insensitivity and safety. Furthermore, the reaction mechanisms of W-PTFE-Al composites in argon and in air are revealed.

  1. Support structure design of the Nb?Sn quadrupole for the high luminosity LHC

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

    Juchno, M.; Anerella, M.; Ambrosio, G.; Cheng, D.; Felice, H.; Ferracin, P.; Perez, J. C.; Prin, H.; Schmalzle, J.

    2014-10-31

    New low-? quadrupole magnets are being developed within the scope of the High Luminosity LHC (HL-LHC) project in collaboration with the US LARP program. The aim of the HLLHC project is to study and implement machine upgrades necessary for increasing the luminosity of the LHC. The new quadrupoles, which are based on the Nb?Sn superconducting technology, will be installed in the LHC Interaction Regions and will have to generate a gradient of 140 T/m in a coil aperture of 150 mm. In this paper, we describe the design of the short model magnet support structure and discuss results of themoredetailed 3D numerical analysis performed in preparation for the first short model test.less

  2. Lubricant-infused micro/nano-structured surfaces with tunable dynamic omniphobicity at high temperatures

    SciTech Connect (OSTI)

    Daniel, Daniel; Max, Mankin N.; Belisle, Rebecca A.; Wong, Tak-Sing; Aizenberg, Joanna

    2013-06-12

    Omniphobic surfaces that can repel fluids at temperatures higher than 100 #2;°C are rare. Most stateof- the-art liquid-repellent materials are based on the lotus effect, where a thin air layer is maintained throughout micro/nanotextures leading to high mobility of liquids. However, such behavior eventually fails at elevated temperatures when the surface tension of test liquids decreases significantly. Here, we demonstrate a class of lubricant-infused structured surfaces that can maintain a robust omniphobic state even for low-surface-tension liquids at temperatures up to at least 200 °#2;C. We also demonstrate how liquid mobility on such surfaces can be tuned by a factor of 1000.

  3. Lubricant-infused micro/nano-structured surfaces with tunable dynamic omniphobicity at high temperatures

    SciTech Connect (OSTI)

    Daniel, D; Mankin, MN; Belisle, RA; Wong, TS; Aizenberg, J

    2013-06-10

    Omniphobic surfaces that can repel fluids at temperatures higher than 100 degrees C are rare. Most state-of-the-art liquid-repellent materials are based on the lotus effect, where a thin air layer is maintained throughout micro/nanotextures leading to high mobility of liquids. However, such behavior eventually fails at elevated temperatures when the surface tension of test liquids decreases significantly. Here, we demonstrate a class of lubricant-infused structured surfaces that can maintain a robust omniphobic state even for low-surface-tension liquids at temperatures up to at least 200 degrees C. We also demonstrate how liquid mobility on such surfaces can be tuned by a factor of 1000. (C) 2013 Author(s).

  4. Highly Insulating Glazing Systems using Non-Structural Center Glazing Layers

    SciTech Connect (OSTI)

    Kohler, Christian; Arasteh, Dariush; Goudey, Howdy; Kohler, Christian

    2008-04-09

    Three layer insulating glass units with two low-e coatings and an effective gas fill are known to be highly insulating, with center-of-glass U-factors as low as 0.57 W/m{sup 2}-K (0.10 Btu/h-ft{sup 2}- F). Such units have historically been built with center layers of glass or plastic which extend all the way through the spacer system. This paper shows that triple glazing systems with non-structural center layers which do not create a hermetic seal at the edge have the potential to be as thermally efficient as standard designs, while potentially removing some of the production and product integration issues that have discouraged the use of triples.

  5. Structure of a designed protein cage that self-assembles into a highly porous cube

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

    Lai, Yen-Ting; Reading, Eamonn; Hura, Greg L.; Tsai, Kuang-Lei; Laganowsky, Arthur; Asturias, Francisco J.; Tainer, John A.; Robinson, Carol V.; Yeates, Todd O.

    2014-11-10

    Natural proteins can be versatile building blocks for multimeric, self-assembling structures. Yet, creating protein-based assemblies with specific geometries and chemical properties remains challenging. Highly porous materials represent particularly interesting targets for designed assembly. Here we utilize a strategy of fusing two natural protein oligomers using a continuous alpha-helical linker to design a novel protein that self assembles into a 750 kDa, 225 Å diameter, cube-shaped cage with large openings into a 130 Å diameter inner cavity. A crystal structure of the cage showed atomic level agreement with the designed model, while electron microscopy, native mass spectrometry, and small angle x-raymore » scattering revealed alternate assembly forms in solution. These studies show that accurate design of large porous assemblies with specific shapes is feasible, while further specificity improvements will likely require limiting flexibility to select against alternative forms. Finally, these results provide a foundation for the design of advanced materials with applications in bionanotechnology, nanomedicine and material sciences.« less

  6. COMPRESSION MOLDED, BIO-FIBER REINFORCED, HIGH PERFORMANCE THERMOSET COMPOSITES FOR STRUCTURAL AND SEMI-STRUCTURAL APPLICATIONS

    SciTech Connect (OSTI)

    Fifield, Leonard S.; Simmons, Kevin L.

    2010-09-15

    Major goals for the future of transportation materials include reduced weight of components, reduced cost of materials and increased use of renewable content. Reinforcement of transportation composites with plant fibers has the potential to decrease component weight relative to glass fiber reinforcement, reduce cost of materials relative to carbon fiber reinforcement, and significantly increase the fraction of composite components from a renewable source. Barriers to widespread application of natural fiber reinforced components in structural and semi-structural vehicle applications have included the natural propensity of these materials to uptake moisture and the corresponding loss of mechanical properties with exposure to moisture. Through novel advances in fiber treatment, processing and molding to address moisture absorption and resin interfacing, Pacific Northwest National Laboratory is reducing these barriers. Herein we demonstrate natural fiber reinforced composites that are 1) composed of more than 50wt% renewable content, 2) weigh 17% less than glass fiber composites with the same fiber volume, and 3) exhibit wet mechanical properties suitable for semi-structural application. Lower cost, lower energy in production, and reduced greenhouse gas production are anticipated advantages of the described PNNL technologies.

  7. Understanding the structure and structural degradation mechanisms in high-voltage lithium-ion battery cathode oxides. A review of materials diagnostics

    SciTech Connect (OSTI)

    Mohanty, Debasish; Li, Jianlin; Nagpure, Shrikant C; Wood, III, David L; Daniel, Claus

    2015-12-21

    Materials diagnostic techniques are the principal tools used in the development of low-cost, high-performance electrodes for next-generation lithium-based energy storage technologies. Also, this review highlights the importance of materials diagnostic techniques in unraveling the structure and the structural degradation mechanisms in high-voltage, high-capacity oxides that have the potential to be implemented in high-energy-density lithium-ion batteries for transportation that can use renewable energy and is less-polluting than today. The rise in CO2 concentration in the earth’s atmosphere due to the use of petroleum products in vehicles and the dramatic increase in the cost of gasoline demand the replacement of current internal combustion engines in our vehicles with environmentally friendly, carbon free systems. Therefore, vehicles powered fully/partially by electricity are being introduced into today’s transportation fleet. As power requirements in all-electric vehicles become more demanding, lithium-ion battery (LiB) technology is now the potential candidate to provide higher energy density. Moreover, discovery of layered high-voltage lithium-manganese–rich (HV-LMR) oxides has provided a new direction toward developing high-energy-density LiBs because of their ability to deliver high capacity (~250 mA h/g) and to be operated at high operating voltage (~4.7 V). Unfortunately, practical use of HV-LMR electrodes is not viable because of structural changes in the host oxide during operation that can lead to fundamental and practical issues. This article provides the current understanding on the structure and structural degradation pathways in HV-LMR oxides, and manifests the importance of different materials diagnostic tools to unraveling the key mechanism(s). Furthermore, the fundamental insights reported, might become the tools to manipulate the chemical and/or structural aspects of HV-LMR oxides for low cost, high-energy-density LiB applications.

  8. Understanding the structure and structural degradation mechanisms in high-voltage lithium-ion battery cathode oxides. A review of materials diagnostics

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

    Mohanty, Debasish; Li, Jianlin; Nagpure, Shrikant C; Wood, III, David L; Daniel, Claus

    2015-12-21

    Materials diagnostic techniques are the principal tools used in the development of low-cost, high-performance electrodes for next-generation lithium-based energy storage technologies. Also, this review highlights the importance of materials diagnostic techniques in unraveling the structure and the structural degradation mechanisms in high-voltage, high-capacity oxides that have the potential to be implemented in high-energy-density lithium-ion batteries for transportation that can use renewable energy and is less-polluting than today. The rise in CO2 concentration in the earth’s atmosphere due to the use of petroleum products in vehicles and the dramatic increase in the cost of gasoline demand the replacement of current internalmore » combustion engines in our vehicles with environmentally friendly, carbon free systems. Therefore, vehicles powered fully/partially by electricity are being introduced into today’s transportation fleet. As power requirements in all-electric vehicles become more demanding, lithium-ion battery (LiB) technology is now the potential candidate to provide higher energy density. Moreover, discovery of layered high-voltage lithium-manganese–rich (HV-LMR) oxides has provided a new direction toward developing high-energy-density LiBs because of their ability to deliver high capacity (~250 mA h/g) and to be operated at high operating voltage (~4.7 V). Unfortunately, practical use of HV-LMR electrodes is not viable because of structural changes in the host oxide during operation that can lead to fundamental and practical issues. This article provides the current understanding on the structure and structural degradation pathways in HV-LMR oxides, and manifests the importance of different materials diagnostic tools to unraveling the key mechanism(s). Furthermore, the fundamental insights reported, might become the tools to manipulate the chemical and/or structural aspects of HV-LMR oxides for low cost, high-energy-density LiB applications.« less

  9. Understanding the structure and structural degradation mechanisms in high-voltage lithium-ion battery cathode oxides. A review of materials diagnostics

    SciTech Connect (OSTI)

    Mohanty, Debasish; Li, Jianlin; Nagpure, Shrikant C; Wood, III, David L; Daniel, Claus

    2015-01-01

    Materials diagnostic techniques are the principal tools used in the development of low-cost, high-performance electrodes for next-generation lithium-based energy storage technologies. Also, this review highlights the importance of materials diagnostic techniques in unraveling the structure and the structural degradation mechanisms in high-voltage, high-capacity oxides that have the potential to be implemented in high-energy-density lithium-ion batteries for transportation that can use renewable energy and is less-polluting than today. The rise in CO2 concentration in the earth’s atmosphere due to the use of petroleum products in vehicles and the dramatic increase in the cost of gasoline demand the replacement of current internal combustion engines in our vehicles with environmentally friendly, carbon free systems. Therefore, vehicles powered fully/partially by electricity are being introduced into today’s transportation fleet. As power requirements in all-electric vehicles become more demanding, lithium-ion battery (LiB) technology is now the potential candidate to provide higher energy density. Moreover, discovery of layered high-voltage lithium-manganese–rich (HV-LMR) oxides has provided a new direction toward developing high-energy-density LiBs because of their ability to deliver high capacity (~250 mA h/g) and to be operated at high operating voltage (~4.7 V). Unfortunately, practical use of HV-LMR electrodes is not viable because of structural changes in the host oxide during operation that can lead to fundamental and practical issues. This article provides the current understanding on the structure and structural degradation pathways in HV-LMR oxides, and manifests the importance of different materials diagnostic tools to unraveling the key mechanism(s). Furthermore, the fundamental insights reported, might become the tools to manipulate the chemical and/or structural aspects of HV-LMR oxides for low cost, high-energy-density LiB applications.

  10. Electronic structure of the primary electron donor of Blastochloris viridis heterodimer mutants : high field EPR study.

    SciTech Connect (OSTI)

    Ponomarenko, N. S.; Poluektov, O. G.; Bylina, E. J.; Norris, J. R.; Chemical Sciences and Engineering Division; Univ. of Chicago

    2010-09-01

    High-field electron paramagnetic resonance (HF EPR) has been employed to investigate the primary electron donor electronic structure of Blastochloris viridis heterodimer mutant reaction centers (RCs). In these mutants the amino acid substitution His(M200)Leu or His(L173)Leu eliminates a ligand to the primary electron donor, resulting in the loss of a magnesium in one of the constituent bacteriochlorophylls (BChl). Thus, the native BChl/BChl homodimer primary donor is converted into a BChl/bacteriopheophytin (BPhe) heterodimer. The heterodimer primary donor radical in chemically oxidized RCs exhibits a broadened EPR line indicating a highly asymmetric distribution of the unpaired electron over both dimer constituents. Observed triplet state EPR signals confirm localization of the excitation on the BChl half of the heterodimer primary donor. Theoretical simulation of the triplet EPR lineshapes clearly shows that, in the case of mutants, triplet states are formed by an intersystem crossing mechanism in contrast to the radical pair mechanism in wild type RCs. Photooxidation of the mutant RCs results in formation of a BPhe anion radical within the heterodimer pair. The accumulation of an intradimer BPhe anion is caused by the substantial loss of interaction between constituents of the heterodimer primary donor along with an increase in the reduction potential of the heterodimer primary donor D/D{sup +} couple. This allows oxidation of the cytochrome even at cryogenic temperatures and reduction of each constituent of the heterodimer primary donor individually. Despite a low yield of primary donor radicals, the enhancement of the semiquinone-iron pair EPR signals in these mutants indicates the presence of kinetically viable electron donors.

  11. Alternate approaches to verifying the structural adequacy of the Defense High Level Waste Shipping Cask

    SciTech Connect (OSTI)

    Zimmer, A.; Koploy, M.

    1991-12-01

    In the early 1980s, the US Department of Energy/Defense Programs (DOE/DP) initiated a project to develop a safe and efficient transportation system for defense high level waste (DHLW). A long-standing objective of the DHLW transportation project is to develop a truck cask that represents the leading edge of cask technology as well as one that fully complies with all applicable DOE, Nuclear Regulatory Commission (NRC), and Department of Transportation (DOT) regulations. General Atomics (GA) designed the DHLW Truck Shipping Cask using state-of-the-art analytical techniques verified by model testing performed by Sandia National Laboratories (SNL). The analytical techniques include two approaches, inelastic analysis and elastic analysis. This topical report presents the results of the two analytical approaches and the model testing results. The purpose of this work is to show that there are two viable analytical alternatives to verify the structural adequacy of a Type B package and to obtain an NRC license. It addition, this data will help to support the future acceptance by the NRC of inelastic analysis as a tool in packaging design and licensing.

  12. High Resolution Structure of the Neisseria gonorrhoeae Type IV Pilus: A

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

    Membrane-bound Fibrous Assembly Structure of the Neisseria gonorrhoeae Type IV Pilus: A Membrane-bound Fibrous Assembly Membrane proteins are notoriously difficult to crystallize, and fiber-forming proteins were actually declared "uncrystallizable" by the eminent x-ray crystallographer Sir Lawrence Bragg. Supported by the facilities and staff at SSRL, a team of researchers has recently determined structures that solved both problems by defining the atomic structure of the

  13. Electric Industry Structure and Regulatory Responses in a High Distributed Energy Resources Future

    SciTech Connect (OSTI)

    Corneli, Steve; Kihm, Steve; Schwartz, Lisa

    2015-11-01

    The emergence of distributed energy resources (DERs) that can generate, manage and store energy on the customer side of the electric meter is widely recognized as a transformative force in the power sector. This report focuses on two key aspects of that transformation: structural changes in the electric industry and related changes in business organization and regulation that are likely to result from them. Both industry structure and regulation are inextricably linked. History shows that the regulation of the power sector has responded primarily to innovation in technologies and business models that created significant structural changes in the sector’s cost and organizational structure.

  14. Glass-water interactions: Effect of high-valence cations on glass structure and chemical durability

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

    Pierce, Eric M.; Kerisit, Sebastien N.; Charpentier, Thibault; Angeli, Frederic; Icenhower, J. P.; McGrail, B. Pete; Charles F. Windisch; Burton, Sarah D.; Hopf, Juliane

    2016-02-27

    Spectroscopic measurements, dissolution experiments, and Monte Carlo simulations were performed to investigate the effect of high valence cations (HVC) on the mechanisms of glass dissolution under dilute and near-saturated conditions. Raman and NMR spectroscopy were used to determine the structural changes that occur in glass, specifically network formers (e.g., Al, Si, and B), with the addition of the HVC element hafnium in the Na2O Al2O3 B2O3 HfO2 SiO2 system (e.g., Na/(Al+B) = 1.0 and HfO2/SiO2 from 0.0 to 0.42). Spectroscopic measurements revealed that increasing hafnium content decreases N4 and increases the amount of Si–O–Hf moieties in the glass. Results frommore » flow through experiments conducted under dilute and near saturated conditions show a decrease of approximately 100 or more in the dissolution rate over the series from 0 to 20 mol% HfO2. Comparing the average steady-state rates obtained under dilute conditions to the rates obtained for near-saturated conditions reveal a divergence in the magnitude between the average steady state rates measured in these different conditions. The reason for this divergence was investigated more thoroughly using Monte Carlo simulations. Simulations indicate that the divergence in glass dissolution behavior under dilute and near-saturated conditions result from the formation of a low coordination Si sites when Si from the saturated solution adsorbs to Hf on the glass surface. The residence time of the newly formed low coordination Si sites is longer at the glass surface and increases the density of anchor sites from which altered layers with higher Si densities can form than in the absence of Hf. These results illustrate the importance of understanding solid water/solid-fluid interactions by linking macroscopic reaction kinetics to nanometer scale interfacial processes.« less

  15. Developing Enzyme and Biomimetic Catalysts for Upgrading Heavy Crudes via Biological Hydrogenation and Hydrodesulfurization

    SciTech Connect (OSTI)

    Borole, A P

    2006-08-22

    The recovery and conversion of heavy oils is limited due to the high viscosity of these crudes and their high heteroatom content. Conventional technology relies on thermochemical hydrogenation and hydrodesulfurization to address these problems and is energy intensive due to the high operating temperature and pressure. This project was initiated to explore biological catalysts for adding hydrogen to the heavy oil molecules. Biological enzymes are efficient at hydrogen splitting at very mild conditions such as room temperature and pressure, however, they are very specific in terms of the substrates they hydrogenate. The goal of the project was to investigate how the specificity of these enzymes can be altered to develop catalysts for oil upgrading. Three approaches were used. First was to perform chemical modification of the enzyme surface to improve binding of other non-natural substrates. Second approach was to expose the deeply buried catalytic active site of the enzyme by removal of protein scaffolding to enable better interaction with other substrates. The third approach was based on molecular biology to develop genetically engineered systems for enabling targeted structural changes in the enzyme. The first approach was found to be limited in success due to the non-specificity of the chemical modification and inability to target the region near the active site or the site of substrate binding. The second approach produced a smaller catalyst capable of catalyzing hydrogen splitting, however, further experimentation is needed to address reproducibility and stability issues. The third approach which targeted cloning of hydrogenase in alternate hosts demonstrated progress, although further work is necessary to complete the cloning process. The complex nature of the hydrogenase enzyme structure-function relationship and role of various ligands in the protein require significant more research to better understand the enzyme and to enable success in strategies in

  16. Imprinting high-gradient topographical structures onto optical surfaces using magnetorheological finishing: Manufacturing corrective optical elements for high-power laser applications

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

    Menapace, Joseph A.; Ehrmann, Paul E.; Bayramian, Andrew J.; Bullington, Amber; Di Nicola, Jean -Michel G.; Haefner, Constantin; Jarboe, Jeffrey; Marshall, Christopher; Schaffers, Kathleen I.; Smith, Cal

    2016-03-15

    Corrective optical elements form an important part of high-precision optical systems. We have developed a method to manufacture high-gradient corrective optical elements for high-power laser systems using deterministic magnetorheological finishing (MRF) imprinting technology. Several process factors need to be considered for polishing ultraprecise topographical structures onto optical surfaces using MRF. They include proper selection of MRF removal function and wheel sizes, detailed MRF tool and interferometry alignment, and optimized MRF polishing schedules. Dependable interferometry also is a key factor in high-gradient component manufacture. A wavefront attenuating cell, which enables reliable measurement of gradients beyond what is attainable using conventional interferometry,more » is discussed. The results of MRF imprinting a 23 μm deep structure containing gradients over 1.6 μm / mm onto a fused-silica window are presented as an example of the technique’s capabilities. As a result, this high-gradient element serves as a thermal correction plate in the high-repetition-rate advanced petawatt laser system currently being built at Lawrence Livermore National Laboratory.« less

  17. Analysis the configuration of earthing system based on high-low and low-high soil structure

    SciTech Connect (OSTI)

    Ramani, A. N.; Ahmad, Abdul Rahman; Sulaima, M. F.; Nasir, M. N. M.; Ahmad, Arfah

    2015-05-15

    Each TNB transmission tower requires a tower footing resistance (TFR) with a lower grounding resistance value that depends on the transmission line voltage. For 132kV and 275kV tower, the TFR must less than 10Ω and 500kV tower must less than 5Ω. The TFR is changeable with variable factors such as soil resistivity. Low TFR provides essential protection to the fault such as lightning strike that may occur at any time. The fault current flow to the lowest resistance path and easily disperses to earth. Back flashover voltage across the insulator of transmission lines may occur when the TFR is high. The TFR is influenced by soil resistivity. There are three parameters affecting the soil resistivity; moisture content, salt content and temperature of the soil. High moisture content in soil will reduce the soil resistivity and resultant low TFR. Small scale moisture control by using Micro Reservoir (MR) irrigation with semi-permeable membranes have the power to offer the stable moisture in soil. By using osmosis concept, it is the process of net movement of water molecules from high potential water to lower potential water though a semi permeable membrane. The MR can withstand for 3 to 5 days without continuous water supply. The MR installed in the centre of the tower that contains a multiple parallel of electrode rods. The concentrated of electrode rods grounding configuration with a combination of MR will improve the TFR even at multilayer soil. As a result, MR gives a little improvement to TFR. The MR in area of concentrated electrode rod configuration to ensure the soil always wet and moist at all times. The changes in soil affect the tower-footing-resistance. The tower-footing-resistance measurement at afternoon is higher than at evening because of the temperature and moisture content in soil is change due to sun radiation.

  18. Status of High Power Tests of Normal Conducting Single-Cell Standing Wave Structures

    SciTech Connect (OSTI)

    Dolgashev, Valery; Tantawi, Sami; Yeremian, Anahid; Higashi, Yasuo; Spataro, Bruno; /INFN, Rome

    2012-06-25

    Our experiments are directed toward the understanding of the physics of rf breakdown in systems that can be used to accelerate electron beams at {approx}11.4 GHz. The structure geometries have apertures, stored energy per cell, and rf pulse duration close to that of the NLC or CLIC. The breakdown rate is the main parameter that we use to compare rf breakdown behavior for different structures at a given set of rf pulse parameters (pulse shape and peak power) at 60 Hz repetition rate. In our experiments, the typical range of the breakdown rate is from one per few hours to {approx}100 per hour. To date we have tested 29 structures. We consistently found that after the initial conditioning, the behavior of the breakdown rate is reproducible for structures of the same geometry and material, and the breakdown rate dependence on peak magnetic fields is stronger than on peak surface electric fields for structures of different geometries. Below we report the main results from tests of seven structures made from hard copper, soft copper alloys and hard-copper alloys. Additional details on these and other structures will be discussed in future publications.

  19. The structure of oxygen on Cu(100) at low and high coverages...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: The structure of ... R.L. ; Kang, J.H. ; Woodruff, D.P. ; Pascal, M. ; ... Resource Relation: Journal Name: Surface Science; Journal ...

  20. Heat treatment giving a stable high temperature micro-structure in cast austenitic stainless steel

    DOE Patents [OSTI]

    Anton, Donald L.; Lemkey, Franklin D.

    1988-01-01

    A novel micro-structure developed in a cast austenitic stainless steel alloy and a heat treatment thereof are disclosed. The alloy is based on a multicomponent Fe-Cr-Mn-Mo-Si-Nb-C system consisting of an austenitic iron solid solution (.gamma.) matrix reinforced by finely dispersed carbide phases and a heat treatment to produce the micro-structure. The heat treatment includes a prebraze heat treatment followed by a three stage braze cycle heat treatment.

  1. Vibronic fine structure in high-resolution x-ray absorption spectra from ion-bombarded boron nitride nanotubes

    SciTech Connect (OSTI)

    Petravic, Mladen; Peter, Robert; Varasanec, Marijana; Li Luhua; Chen Ying; Cowie, Bruce C. C.

    2013-05-15

    The authors have applied high-resolution near-edge x-ray absorption fine structure measurements around the nitrogen K-edge to study the effects of ion-bombardment on near-surface properties of boron nitride nanotubes. A notable difference has been observed between surface sensitive partial electron yield (PEY) and bulk sensitive total electron yield (TEY) fine-structure measurements. The authors assign the PEY fine structure to the coupling of excited molecular vibrational modes to electronic transitions in NO molecules trapped just below the surface. Oxidation resistance of the boron nitride nanotubes is significantly reduced by low energy ion bombardment, as broken B-N bonds are replaced by N-O bonds involving oxygen present in the surface region. In contrast to the PEY spectra, the bulk sensitive TEY measurements on as-grown samples do not exhibit any fine structure while the ion-bombarded samples show a clear vibronic signature of molecular nitrogen.

  2. A Biomimetic Approach to New Adsorptive Hydrogen Storage Metal-Organic Frameworks

    SciTech Connect (OSTI)

    Zhou, Hongcai J

    2015-08-12

    In the past decades, there has been an escalation of interest in the study of MOFs due to their fascinating structures and intriguing application potentials. Their exceptionally high surface areas, uniform yet tunable pore sizes, and well-defined adsorbate-MOF interaction sites make them suitable for hydrogen storage. Various strategies to increase the hydrogen capacity of MOFs, such as constructing pore sizes comparable to hydrogen molecules, increasing surface area and pore volume, utilizing catenation, and introducing coordinatively unsaturated metal centers (UMCs) have been widely explored to increase the hydrogen uptake of the MOFs. MOFs with hydrogen uptake approaching the DOE gravimetric storage goal under reasonable pressure but cryo- temperature (typically 77 K) were achieved. However, the weak interaction between hydrogen molecules and MOFs has been the major hurdle limiting the hydrogen uptake of MOFs at ambient temperature. Along the road, we have realized both high surface area and strong interaction between framework and hydrogen are equally essential for porous materials to be practically applicable in Hydrogen storage. Increasing the isosteric heats of adsorption for hydrogen through the introduction of active centers into the framework could have great potential on rendering the framework with strong interaction toward hydrogen. Approaches on increasing the surface areas and improving hydrogen affinity by optimizing size and structure of the pores and the alignment of active centers around the pores in frameworks have been pursued, for example: (a) the introduction of coordinatively UMC (represents a metal center missing multiple ligands) with potential capability of multiple dihydrogen-binding (Kubas type, non-dissociative) per UMC, (b) the design and synthesis of proton-rich MOFs in which a + H3 binds dihydrogen just like a metal ion does, and (c) the preparation of MOFs and PPNs with well aligned internal electric fields. We believe the

  3. Suppression of beam induced pulse shortening modes in high power RF generator TW output structures

    SciTech Connect (OSTI)

    Haimson, J.; Mecklenburg, B.

    1992-12-31

    Several different style 11.4 GHz relativistic klystrons, operating with beam pulse widths of 50 ns and using large aperture, tapered phase-velocity TW structures,` have recently demonstrated output RF power levels in the range of 100 to 300 MW without breakdown or pulse shortening. To extend this performance into the long pulse regime (1 {mu}s) or to demonstrate a threefold increase in output power by using higher currents, the existing TW circuit designs must be modified (a) to reduce the cavity maximum surface E-fields by a factor of 2 to 3, and (b) to elevate the current threshold values of the beam induced higher order modes (HOM) to ensure avoidance of RF pulse shortening and associated instabilities. A technique for substantially elevating this threshold current is described, and microwave data and photographs are presented showing the degree of HOM damping achieved in a recently constructed 11.4 GHz TW structure.

  4. Structural distortions in 5-10 nm silver nanoparticles under high pressure

    SciTech Connect (OSTI)

    Koski, Kristie J.; Kamp, Noelle M.; Kunz, Martin; Knight, Jason K.; Alivisatos, A.P.; Smith, R.K.

    2008-10-13

    We present experimental evidence that silver nanoparticles in the size range of 5-10 nm undergo a reversible structural transformation under hydrostatic pressures up to 10 GPa. We have used x-ray diffraction with a synchrotron light source to investigate pressure-dependent and size-dependent trends in the crystal structure of silver nanoparticles in a hydrostatic medium compressed in a diamond-anvil cell. Results suggest a reversible linear pressure-dependent rhombohedral distortion which has not been previously observed in bulk silver. We propose a mechanism for this transition that considers the bond-length distribution in idealized multiply twinned icosahedral particles. To further support this hypothesis, we also show that similar measurements of single-crystal platinum nanoparticles reveal no such distortions.

  5. Study of the technology of the plasma nanostructuring of silicon to form highly efficient emission structures

    SciTech Connect (OSTI)

    Galperin, V. A.; Kitsyuk, E. P.; Pavlov, A. A.; Shamanaev, A. A.

    2015-12-15

    New methods for silicon nanostructuring and the possibility of raising the aspect ratios of the structures being formed are considered. It is shown that the technology developed relates to self-formation methods and is an efficient tool for improving the quality of field-emission cathodes based on carbon nanotubes (CNTs) by increasing the Si–CNT contact area and raising the efficiency of the heat sink.

  6. Structure-Guided, Single-Point Modifications in the Phosphinic Dipeptide Structure Yield Highly Potent and Selective Inhibitors of Neutral Aminopeptidases

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

    Vassiliou, Stamatia; Węglarz-Tomczak, Ewelina; Berlicki, Łukasz; Pawełczak, Małgorzata; Nocek, Bogusław; Mulligan, Rory; Joachimiak, Andrzej; Mucha, Artur

    2014-10-09

    Seven crystal structures of alanyl aminopeptidase from Neisseria meningitides (the etiological agent of meningitis, NmAPN) complexed with organophosphorus compounds were resolved to determine the optimal inhibitor–enzyme interactions. The enantiomeric phosphonic acid analogs of Leu and hPhe, which correspond to the P1 amino acid residues of well-processed substrates, were used to assess the impact of the absolute configuration and the stereospecific hydrogen bond network formed between the aminophosphonate polar head and the active site residues on the binding affinity. For the hPhe analog, an imperfect stereochemical complementarity could be overcome by incorporating an appropriate P1 side chain. The constitution of P1'-extendedmore » structures was rationally designed and the lead, phosphinic dipeptide hPhePψ[CH2]Phe, was modified in a single position. Introducing a heteroatom/heteroatom-based fragment to either the P1 or P1' residue required new synthetic pathways. The compounds in the refined structure were low nanomolar and subnanomolar inhibitors of N. meningitides, porcine and human APNs, and the reference leucine aminopeptidase (LAP). The unnatural phosphinic dipeptide analogs exhibited a high affinity for monozinc APNs associated with a reasonable selectivity versus dizinc LAP. In conclusion, another set of crystal structures containing the NmAPN dipeptide ligand were used to verify and to confirm the predicted binding modes; furthermore, novel contacts, which were promising for inhibitor development, were identified, including a π–π stacking interaction between a pyridine ring and Tyr372.« less

  7. Capturing relativistic wakefield structures in plasmas using ultrashort high-energy electrons as a probe

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

    Zhang, C. J.; Hua, J. F.; Xu, X. L.; Li, F.; Pai, C. -H.; Wan, Y.; Wu, Y. P.; Gu, Y. Q.; Mori, W. B.; Joshi, C.; et al

    2016-07-11

    A new method capable of capturing coherent electric field structures propagating at nearly the speed of light in plasma with a time resolution as small as a few femtoseconds is proposed. This method uses a few femtoseconds long relativistic electron bunch to probe the wake produced in a plasma by an intense laser pulse or an ultra-short relativistic charged particle beam. As the probe bunch traverses the wake, its momentum is modulated by the electric field of the wake, leading to a density variation of the probe after free-space propagation. This variation of probe density produces a snapshot of themore » wake that can directly give many useful information of the wake structure and its evolution. Furthermore, this snapshot allows detailed mapping of the longitudinal and transverse components of the wakefield. We develop a theoretical model for field reconstruction and verify it using 3-dimensional particle-in-cell (PIC) simulations. This model can accurately reconstruct the wakefield structure in the linear regime, and it can also qualitatively map the major features of nonlinear wakes. As a result, the capturing of the injection in a nonlinear wake is demonstrated through 3D PIC simulations as an example of the application of this new method.« less

  8. Structure Analysis of a Precipitate Phase in an Ni-Rich High Temperature NiTiHf Shape Memory Alloy

    SciTech Connect (OSTI)

    Yang, Fan; Coughlin, D. R.; Phillips, Patrick J.; Yang, L.; Devaraj, Arun; Kovarik, Libor; Noebe, Ronald D.; Mills, M. J.

    2013-03-22

    Thermal aging of the high temperature shape memory alloy 50.3Ni-29.7Ti-20Hf (at.%) introduces a novel precipitate phase, which plays an important role in improving shape memory properties. The precipitate phase was investigated by conventional electron diffraction, high resolution scanning transmission electron microscopy (STEM) and three dimensional atom probe tomography. An unrelaxed orthorhombic atomic structural model is proposed based on these observations. This model was subsequently relaxed by ab initio calculations. As a result of the relaxation, atom shuffle displacements occur, which in turn yields improved agreement with the STEM images. The relaxed structure, which is termed the “H-phase”, has also been verified to be thermodymanically stable at 0 K.

  9. A new high nitrogen super austenitic stainless steel with improved structure stability and corrosion resistance properties

    SciTech Connect (OSTI)

    Gagnepain, J.C.; Charles, J.; Coudreuse, L.; Bonnefois, B.

    1996-11-01

    A new highly alloyed (Cr, Mo, W, N) super austenitic grade has been developed. This grade offers high mechanical properties combined with excellent corrosion resistance in chloride acid media. This grade is particularly designed for applications in chloride, oxidizing acid media encountered in the chemical, transportation, pollution control, offshore and pulp and paper industries. Mechanical properties, corrosion resistance and weldability of this grade are presented and compared to that of other stainless steels and nickel base alloys.

  10. New Measurements of High-Momentum Nucleons and Short-Range Structures in Nuclei

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

    Fomin, N.; Arrington, J.; Asaturyan, R.; Benmokhtar, F.; Boeglin, W.; Bosted, P.; Bruell, A.; Bukhari, M. H. S.; Christy, M. E.; Chudakov, E.; et al

    2012-02-01

    We present new, high-Q2 measurements of inclusive electron scattering from high-momentum nucleons in nuclei. This yields an improved extraction of the strength of two-nucleon correlations for several nuclei, including light nuclei where clustering effects can, for the first time, be examined. The data extend to the kinematic regime where three-nucleon correlations are expected to dominate and we observe significantly greater strength in this region than previous measurements.

  11. High-temperature-oxidation-induced ordered structure in Inconel 939 superalloy exposed to oxy-combustion environments

    SciTech Connect (OSTI)

    Zhu, Jingxi; Wise, Adam; Nuhfer, Thomas; Holcomb, Gordon R; Jablonski, Paul D; Sridhar, Seetharaman; Laughlin, David E

    2013-04-20

    In the integrated oxy-fuel combustion and turbine power generation system, turbine alloys are exposed to high temperature and an atmosphere comprised of steam, CO2 and O2. While surface and internal oxidation of the alloy takes place, the microstructure in the subsurface region also changes due to oxidation that results in the loss of the strengthening precipitates. In an earlier study of the oxidation of Inconel 939 Ni-based superalloy exposed to oxy-fuel combustion environment for up to 1000 hours, a high-temperature-oxidation-induced phase transformation in the sub-surface region was noticed and a two-phase region formed at the expense of strengthening γ' phase. While one of the two phases was identified as the Ni-matrix (γ solid solution, face-center-cubic) phase, the other product phase remained unidentified. In this study, the crystal structure of the unknown phase and its orientation relationship with the parent Ni-matrix phase was investigated through electron diffraction and high-resolution transmission electron microscopy. It was determined that the crystal structure of the unknown phase could be modeled as a ternary derivative of the ordered η-Ni3Ti phase (D024) structure with lattice parameters of a = 0.5092 nm and c = 0.8336 nm, α = 90º, β = 90º and γ = 120º.

  12. Size dependence of cubic to trigonal structural distortion in silver micro- and nanocrystals under high pressure

    SciTech Connect (OSTI)

    Guo, Qixum; Zhao, Yusheng; Zin, Zhijun; Wang, Zhongwu; Skrabalak, Sara E; Xia, Younan

    2008-01-01

    Silver micro- and nanocrystals with sizes of {approx}2--3.5 {mu}m and {approx}50--100 nm were uniaxially compressed under nonhydrostatic pressures (strong deviatoric stress) up to {approx}30 GPa at room temperature in a symmetric diamond-anvil cell and studied in situ using angle-dispersive synchrotron X-ray diffraction. A cubic to trigonal structural distortion along a 3-fold rotational axis was discovered by careful and comprehensive analysis of the apparent lattice parameter and full width at half-maximum, which are strongly dependent upon the Miller index and crystal size.

  13. Observations of imposed ordered structures in a dusty plasma at high magnetic field

    SciTech Connect (OSTI)

    Thomas, Edward Lynch, Brian; Konopka, Uwe; Merlino, Robert L.; Rosenberg, Marlene

    2015-03-15

    Dusty plasmas have been studied in argon, rf glow discharge plasmas at magnetic fields up to 2 T, where the electrons and ions are strongly magnetized. In this experiment, plasmas are generated between two parallel plate electrodes where the lower, powered electrode is solid and the upper, electrically floating electrode supports a semi-transparent, titanium mesh. We report on the formation of an ordered dusty plasma, where the dust particles form a spatial structure that is aligned to the mesh. We discuss possible mechanisms that may lead to the formation of the “dust grid” and point out potential implications and applications of these observations.

  14. High rate, long cycle life battery electrode materials with an open framework structure

    DOE Patents [OSTI]

    Wessells, Colin; Huggins, Robert; Cui, Yi; Pasta, Mauro

    2015-02-10

    A battery includes a cathode, an anode, and an aqueous electrolyte disposed between the cathode and the anode and including a cation A. At least one of the cathode and the anode includes an electrode material having an open framework crystal structure into which the cation A is reversibly inserted during operation of the battery. The battery has a reference specific capacity when cycled at a reference rate, and at least 75% of the reference specific capacity is retained when the battery is cycled at 10 times the reference rate.

  15. Defect structures induced by high-energy displacement cascades in γ uranium

    SciTech Connect (OSTI)

    Miao, Yinbin; Beeler, Benjamin; Deo, Chaitanya; Baskes, Michael I.; Okuniewski, Maria A.; Stubbins, James F.

    2015-01-01

    Displacement cascade simulations were conducted for the c uranium system based on molecular dynamics. A recently developed modified embedded atom method (MEAM) potential was employed to replicate the atomic interactions while an embedded atom method (EAM) potential was adopted to help characterize the defect structures induced by the displacement cascades. The atomic displacement process was studied by providing primary knock-on atoms (PKAs) with kinetic energies from 1 keV to 50 keV. The influence of the PKA incident direction was examined. The defect structures were analyzed after the systems were fully relaxed. The states of the self-interstitial atoms (SIAs) were categorized into various types of dumbbells, the crowdion, and the octahedral interstitial. The voids were determined to have a polyhedral shape with {110} facets. The size distribution of the voids was also obtained. The results of this study not only expand the knowledge of the microstructural evolution in irradiated c uranium, but also provide valuable references for the radiation-induced defects in uranium alloy fuels.

  16. RUI: Structure and Behavior of RF-Driven Plasma Filaments in High-Pressure Gases

    SciTech Connect (OSTI)

    Burin, Michael

    2014-11-18

    The filamentary discharge seen within commercial plasma globes is commonly enjoyed, yet not well understood. We investigate filament properties in a plasma globe using a variable high voltage amplifier. Results from the 3-year grant period and their physics are discussed.

  17. Structural and spectroscopic properties of high temperature prepared ZrO₂–TiO₂ mixed oxides

    SciTech Connect (OSTI)

    Gionco, Chiara; Battiato, Alfio; Vittone, Ettore; Paganini, Maria Cristina; Giamello, Elio

    2013-05-01

    ZrO₂-TiO₂ mixed oxides of various composition, with the molar fraction of TiO₂ ranging from 0.1% to 15%, have been prepared via sol-gel synthesis and then calcined at 1273 K to check both their thermal stability and physicochemical properties. These solids are usually employed in photocatalytic processes and as active phase supports in heterogeneous catalysis. As indicated by X-ray diffraction and Raman spectroscopy, solid solutions based on Ti ions diluted in the ZrO₂ matrix are formed in the whole range of Ti molar fraction examined. Materials with low Ti loading (0.1%–1%) are basically constituted by the monoclinic phase of ZrO₂ while the tetragonal phase becomes prevalent at 15% of TiO₂ molar fraction. The presence of Ti ions modify the electronic structure of the solid as revealed by investigation of the optical properties. The typical band gap transition of ZrO₂ undergoes, in fact, a red shift roughly proportional to the Ti loading which reach the remarkable value of 1.6 eV for the sample with 10% of molar Ti concentration. Comparing chemical analysis of the solids with XPS data it has been put into evidence that the titanium ions distribution into the solid is not uniform and the concentration of Ti⁴⁺ tend to be higher in subsurface layers than in the crystal bulk. The introduction of titanium ions in the structure increases the reducibility of the solid. Annealing under vacuum at various temperatures causes oxygen depletion with consequent reduction of the solid which shows up mainly in terms of formation of Ti³⁺ reduced centres which are characterized by a typical EPR signal. Ti³⁺ defects forms, as also forecast by theoretical modelling of the solid, as their energy is lower than that of other possible reduced defective centers. The reduced solids are able to transfer electrons to adsorbed oxygen molecules in mild condition resulting in the formation of surface superoxide anions (O₂⁻) which are stabilized on surface Zr

  18. High-R Walls for New Construction Structural Performance: Integrated Rim Header Testing

    SciTech Connect (OSTI)

    DeRenzis, A.; Kochkin, V.; Wiehagen, J.

    2013-01-01

    Two prominent approaches within the Building America Program to construct higher R-value walls have included use of larger dimension framing and exterior rigid foam insulation. These approaches have been met with some success; however for many production builders, where the cost of changing framing systems is expensive, the changes have been slow to be realized. In addition, recent building code changes have raised some performance issues for exterior sheathing and raised heel trusses, for example, that indicates a need for continued performance testing for wall systems. The testing methods presented in this report evaluate structural rim header designs over openings up to 6 ft wide and applicable to one- and two-story homes.

  19. Method of forming macro-structured high surface area transparent conductive oxide electrodes

    DOE Patents [OSTI]

    Forman, Arnold J.; Chen, Zhebo; Jaramillo, Thomas F.

    2016-01-05

    A method of forming a high surface area transparent conducting electrode is provided that includes depositing a transparent conducting thin film on a conductive substrate, where the transparent conducting thin film includes transparent conductive particles and a solution-based transparent conducting adhesive layer which serves to coat and bind together the transparent conducting particles, and heat treating the transparent conducting adhesion layer on the conductive substrate, where an increased surface area transparent conducting electrode is formed.

  20. Workshop on nuclear structure at moderate and high spin: Slide report

    SciTech Connect (OSTI)

    Not Available

    1986-10-01

    The workshop was scheduled to coincide with the beginning of operation of a number of large arrays of Compton-suppressed germanium detectors. The workshop was divided into 14 sessions containing 3 presentations each. The topics of these sessions were superdeformation, heavy rare earths, single-particle configurations, band termination, continuum properties, light rare-earths, new techniques, high temperatures, transfer reactions, transition region, shapes, lifetimes, and moments. This publication consists of the slides used in all of the presentations at the workshop.

  1. Crump Geyser: High Precision Geophysics & Detailed Structural Exploration & Slim Well Drilling

    Broader source: Energy.gov [DOE]

    DOE Geothermal Peer Review 2010 - Presentation. Project objectives: Discover new 260F and 300F geothermal reservoirs in Oregon. To demonstrate the application of high precision geophysics for well targeting. Demonstrate a combined testing approach to Flowing Differential Self Potential (FDSP) and electrical tomography resistivity as a guide to exploration and development. Demonstrate utility and benefits of sump-less drilling for a low environmental impact. Create both short and long term employment through exploration, accelerated development timeline and operation.

  2. Operation Hardtack. Project 3. 2. Response of earth-confined flexible-arch structures in high-overpressure regions

    SciTech Connect (OSTI)

    LeDoux, J.C.; Rush, P.J.

    1985-09-01

    The purpose of this project was to determine structural responses and failure criteria of earth-confined corrugated-steel flexible arches subjected to high overpressure blast loading from nuclear detonations. A flexible arch is considered as an arch structure whose ultimate supporting capacity is dependent upon confinement within a surrounding earth configuration. A collateral objective was to determine the radiation-shielding effectiveness of such structures with a minimum cover of five feet of coral sand. Because the soil and ground-water conditions at Eniwetok did not permit the placing of the steel arches below natural-grade level, the structures were confined within massive non-drag sensitive earthwork configurations of coral sand. Empirical determinations were made of the responses of (1) three earth-confined prefabricated corrugated-steel flexible arches when subjected to relatively long-duration blast loadings from a megaton range detonation; and (2) one similar earth-confined flexible-arch when subjected to relatively short-duration blast loadings from a kiloton-range detonation.

  3. Unconventional irreversible structural changes in a high-voltage Li–Mn-rich oxide for lithium-ion battery cathodes

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

    Mohanty, Debasish; Sefat, Athena S.; Payzant, E. Andrew; Li, Jianlin; Wood, David L.; Daniel, Claus

    2015-02-19

    Making all-electric vehicles (EVs) commonplace in transportation applications will require affordable high-power and high-energy-density lithium-ion batteries (LIBs). The quest for suitable cathode materials to meet this end has currently plateaued with the discovery of high-voltage (≥4.7 V vs. Li+), high capacity (~250 mAh/g) lithium–manganese-rich (LMR) layered composite oxides. In spite of the promise of LMR oxides in high-energy-density LIBs, an irreversible structural change has been identified in this work that is governed by the formation of a ‘permanent’ spin-glass type magnetically frustrated phase indicating a dominant AB2O4 (A = Li, B = Mn) type spinel after a short-term lithium deintercalationmore » (charging) and intercalation (discharging) process. Furthermore, reduction of transition metal (Mn) ions from the 4+ state (pristine LMR) to 3+ (cycled LMR), which alters the intercalation redox chemistry and suggests the presence of ‘unfilled’ lithium vacancies and/or oxygen vacancies in the lattice after cycling, has presented a major stumbling block. Finally, these situations result in both loss of capacity and fading of the voltage profile, and these combined effects significantly reduce the high energy density over even short-term cycling.« less

  4. Highly Aligned Carbon Fiber in Polymer Composite Structures via Additive Manufacturing

    SciTech Connect (OSTI)

    Tekinalp, Halil L [ORNL; Kunc, Vlastimil [ORNL; Velez-Garcia, Gregorio M [ORNL; Duty, Chad E [ORNL; Love, Lonnie J [ORNL; Naskar, Amit K [ORNL; Blue, Craig A [ORNL; Ozcan, Soydan [ORNL

    2014-01-01

    Additive manufacturing, diverging from traditional manufacturing techniques, such as casting and machining materials, can handle complex shapes with great design flexibility without the typical waste. Although this technique has been mainly used for rapid prototyping, interest is growing in using this method to directly manufacture actual parts of complex shape. To use 3D-printing additive manufacturing in wide spread applications, the technique and the feedstock materials require improvements to meet the mechanical requirements of load-bearing components. Thus, we investigated the short fiber (0.2 mm to 0.4 mm) reinforced acrylonitrile-butadiene-styrene composites as a feedstock for 3D-printing in terms of their processibility, microstructure and mechanical performance; and also provided comparison with traditional compression molded composites. The tensile strength and modulus of 3D-printed samples increased ~115% and ~700%, respectively. 3D-printer yielded samples with very high fiber orientation in printing direction (up to 91.5 %), whereas, compression molding process yielded samples with significantly less fiber orientation. Microstructure-mechanical property relationships revealed that although the relatively high porosity is observed in the 3D-printed composites as compared to those produced by the conventional compression molding technique, they both exhibited comparable tensile strength and modulus. This phenomena is explained based on the changes in fiber orientation, dispersion and void formation.

  5. Highly Aligned Carbon Fiber in Polymer Composite Structures via Additive Manufacturing

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

    Tekinalp, Halil L; Kunc, Vlastimil; Velez-Garcia, Gregorio M; Duty, Chad E; Love, Lonnie J; Naskar, Amit K; Blue, Craig A; Ozcan, Soydan

    2014-01-01

    Additive manufacturing, diverging from traditional manufacturing techniques, such as casting and machining materials, can handle complex shapes with great design flexibility without the typical waste. Although this technique has been mainly used for rapid prototyping, interest is growing in using this method to directly manufacture actual parts of complex shape. To use 3D-printing additive manufacturing in wide spread applications, the technique and the feedstock materials require improvements to meet the mechanical requirements of load-bearing components. Thus, we investigated the short fiber (0.2 mm to 0.4 mm) reinforced acrylonitrile-butadiene-styrene composites as a feedstock for 3D-printing in terms of their processibility, microstructuremore » and mechanical performance; and also provided comparison with traditional compression molded composites. The tensile strength and modulus of 3D-printed samples increased ~115% and ~700%, respectively. 3D-printer yielded samples with very high fiber orientation in printing direction (up to 91.5 %), whereas, compression molding process yielded samples with significantly less fiber orientation. Microstructure-mechanical property relationships revealed that although the relatively high porosity is observed in the 3D-printed composites as compared to those produced by the conventional compression molding technique, they both exhibited comparable tensile strength and modulus. This phenomena is explained based on the changes in fiber orientation, dispersion and void formation.« less

  6. Hexagonal-structured epsilon-NbN. Ultra-incompressibility, high shear rigidity, and a possible hard superconducting material

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

    Zou, Y.; Wang, X.; Chen, T.; Li, X.; Qi, X; Welch, D.; Zhu, P.; Liu, B.; Cui, T.; Li, B.

    2015-06-01

    Exploring the structural stability and elasticity of hexagonal ε-NbN helps discover correlations among its physical properties for scientific and technological applications. Here, for the first time, we measured the ultra-incompressibility and high shear rigidity of polycrystalline hexagonal ε-NbN using ultrasonic interferometry and in situ X-ray diffraction, complemented with first-principles density-functional theory calculations up to 30 GPa in pressure. Using a finite strain equation of state approach, the elastic bulk and shear moduli, as well as their pressure dependences are derived from the measured velocities and densities, yielding BS0 = 373.3(15) GPa, G0 = 200.5(8) GPa, ∂BS/∂P = 3.81(3) and ∂G/∂Pmore » = 1.67(1). The hexagonal ε-NbN possesses a very high bulk modulus, rivaling that of superhard material cBN (B0 = 381.1 GPa). The high shear rigidity is comparable to that for superhard γ-B (G0 = 227.2 GPa). We found that the crystal structure of transition-metal nitrides and the outmost electrons of the corresponding metals may dominate their pressure dependences in bulk and shear moduli. In addition, the elastic moduli, Vickers hardness, Debye temperature, melting temperature and a possible superconductivity of hexagonal ε-NbN all increase with pressures, suggesting its exceptional suitability for applications under extreme conditions.« less

  7. TAOI B- Computational Microstructural Optimization Design Tool for High Temperature Structural Materials

    SciTech Connect (OSTI)

    Mishra, Rajiv; Charit, Indrajit

    2015-02-28

    The objectives of this research were two-fold: (a) develop a methodology for microstructural optimization of alloys - genetic algorithm approach for alloy microstructural optimization using theoretical models based on fundamental micro-mechanisms, and (b) develop a new computationally designed Ni-Cr alloy for coal-fired power plant applications. The broader outcome of these objectives is expected to be creation of an integrated approach for ‘structural materials by microstructural design’. Three alloy systems were considered for computational optimization and validation, (i) Ni-20Cr (wt.%) base alloy using only solid solution strengthening, (ii) nano-Y2O3 containing Ni-20Cr-1.2Y2O3 (wt.%) alloy for dispersion strengthening and (iii) a sub-micron Al2O3 for composite strengthening, Ni-20Cr-1.2Y2O3-5.0Al2O3 (wt.%). The specimens were synthesized by mechanical alloying and consolidated using spark plasma sintering. Detailed microstructural characterization was done along with initial mechanical properties to validate the computational prediction. A key target property is to have creep rate of 1x10-9 s-1 at 100 MPa and 800oC. The initial results were quite promising and require additional quantification of strengthening contributions from dislocation-particle attractive interaction and load transfer. The observed creep rate was in order of 10-9 s-1 for longer time creep test of Ni-20Cr -1.2Y2O3-5Al2O3, lending support to the overall approach pursued in this project.

  8. Damage structure in Nimonic PE16 alloy ion bombarded to high doses and gas levels

    SciTech Connect (OSTI)

    Farrell, K.; Packan, N.H.

    1981-01-01

    The Nimonic PE16 alloy in solution-treated-and-aged condition was bombarded simultaneously with nickel ions and ..cap alpha.. and deuteron beams at 625/sup 0/C to doses of 80 to 313 dpa at He/dpa = 10 and D/dpa = 25. Microstructural changes consisted of the introduction of dislocations and of cavities, and the redistribuion of ..gamma..' precipitates to these defects. Cavitational swelling remained below 1%. Cavities were represented by several distinct size classes, the smaller ones believed to be gas bubbles, and some larger ones associated with preferred growth of precipitate. Formation of bubbles at grain boundaries, and large cavities at incoherent twins intensified the possibility of mechanical separation of interfaces under high-gas irradiation conditions.

  9. Load test of the 277W Building high bay roof deck and support structure

    SciTech Connect (OSTI)

    McCoy, R.M.

    1994-12-02

    The 277W Building high bay roof area was load tested according to the approved load-test procedure, WHC-SD-GN-TP-30015, Revision 1. The 277W Building is located in the 200 West Area of the Hanford Site and has the following characteristics: roof deck -- wood decking supported by 4 x 14 timber purlins; roof membrane -- tar and gravel; roof slope -- flat (<10 deg); and roof elevation -- maximum height of about 63 ft. The 227W Building was visited in March 1994 for a visual inspection. During this inspection, cracked areas were visible in the decking, but it was not possible to determine whether these cracks extended completely through the decking, which is 2-in. thick. The building was revisited in March 1994 for the purpose of writing this test report. Because the roof requires personnel access, a test was determined to be the best way to qualify the roof. The conclusions are that the roof has been qualified for 500-lb total roof load and that the ``No Roof Access`` signs can be changed to ``Roof Access Restricted`` signs.

  10. Synthesis and new structure shaping mechanism of silica particles formed at high pH

    SciTech Connect (OSTI)

    Zhang, Henan; Zhao, Yu; Akins, Daniel L.

    2012-10-15

    For the sol-gel synthesis of silica particles under high pH catalytic conditions (pH>12) in water/ethanol solvent, we have deduced that the competing dynamics of chemical etching and sol-gel process can explain the types of silica particles formed and their morphologies. We have demonstrated that emulsion droplets that are generated by adding tetraethyl orthosilicate (TEOS) to a water-ethanol solution serve as soft templates for hollow spherical silica (1-2 {mu}m). And if the emulsion is converted by the sol-gel process, one finds that suspended solid silica spheres of diameter of {approx}900 nm are formed. Moreover, several other factors are found to play fundamental roles in determining the final morphologies of silica particles, such as by variation of the pH (in our case, using OH{sup -}) to a level where condensation dominates; by changing the volume ratios of water/ethanol; and using an emulsifier (specifically, CTAB) - Graphical abstract: 'Local chemical etching' and sol-gel process have been proposed to interpret the control of morphologies of silica particles through varying initial pHs in syntheses. Highlights: Black-Right-Pointing-Pointer Different initial pHs in our syntheses provides morphological control of silica particles. Black-Right-Pointing-Pointer 'Local chemical etching' and sol-gel process describes the formation of silica spheres. Black-Right-Pointing-Pointer The formation of emulsions generates hollow silica particles.

  11. High pressure synthesis of a new phase of YbAg2: Structure, valence of Yb and properties

    SciTech Connect (OSTI)

    Tsvyashchenko, A. V.; Menushenkov, A. P.; Sidorov, V. A.; Petrova, A. E.; Fomicheva, L. N.; Chernysheva, O. V.; Lebed, Yu. B.; Axenov, S. N.; Bud’ko, S. L.; Sun, Liling; Zhao, Zhongxian

    2015-08-05

    The new phase of YbAg2 was obtained using high-pressure and high-temperature reaction. YbAg2 crystallizes in the MgZn2 structure (the space group P63/mmc space group, No 194) with a = 5.68153(3) Å and c = 9.31995(7) Å and the unit cell volume V = 260.54(3) Å3. The XANES analysis showed that the valence state of Yb is +2.8. The low-temperature dependences of the electrical resistivity and magnetic susceptibility can be adequately described by a T2 term that supports the Fermi-liquid picture. Furthermore, the Kadowaki–Woods relation gives a low value of the degeneracy (N = 2).

  12. High pressure synthesis of a new phase of YbAg2: Structure, valence of Yb and properties

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

    Tsvyashchenko, A. V.; Menushenkov, A. P.; Sidorov, V. A.; Petrova, A. E.; Fomicheva, L. N.; Chernysheva, O. V.; Lebed, Yu. B.; Axenov, S. N.; Bud’ko, S. L.; Sun, Liling; et al

    2015-08-05

    The new phase of YbAg2 was obtained using high-pressure and high-temperature reaction. YbAg2 crystallizes in the MgZn2 structure (the space group P63/mmc space group, No 194) with a = 5.68153(3) Å and c = 9.31995(7) Å and the unit cell volume V = 260.54(3) Å3. The XANES analysis showed that the valence state of Yb is +2.8. The low-temperature dependences of the electrical resistivity and magnetic susceptibility can be adequately described by a T2 term that supports the Fermi-liquid picture. Furthermore, the Kadowaki–Woods relation gives a low value of the degeneracy (N = 2).

  13. High temperature applications of structural ceramics. Quarterly progress report, January--March 1980

    SciTech Connect (OSTI)

    Schneider, Samuel J.

    1980-01-01

    Four-point bend tests on notched bars of Si/sub 5/AlON/sub 7/ were completed and the results compared with previous work on a yttria-doped silicon nitride (NCX 34) and with literature values for other silicon nitrides. Preliminary maps for Si/sub 3/N/sub 4/ have been drawn. A computer program for automatically drawing maps from K-v data has been written. Data for SiC has been collected. A new mechanical analysis of 4-point bending has been completed to get K-v data from load-deflection curves. Experiments with heating Si/sub 3/N/sub 4/ in 95N/sub 2/:5H/sub 2/ at approx. 1750/sup 0/C in various container materials indicated that Mo was a suitable container for short term heat treatments. High temperature x-ray diffraction experiments were initiated with mixed ..cap alpha..-..beta.. Si/sub 3/N/sub 4/ specimens. Comparison by x-ray powder diffraction of two billets of Si/sub 3/N/sub 4/ containing approximately 8 wt % Y/sub 2/O/sub 3/ failed to show any difference in the phase analysis that could account for the observed difference in low-temperature oxidation resistance. The two billets contained nearly equal amounts of WSi/sub 2/ before oxidation, but this compound could not be detected in a specimen that had been severely damaged by oxidation for 20 hours at 735/sup 0/C.

  14. High-spin states and level structure in {sup 84}Rb

    SciTech Connect (OSTI)

    Shen Shuifa; Han Guangbing; Wen Shuxian; Gu Jianzhong; Wu Xiaoguang; Zhu Lihua; He Chuangye; Li Guangsheng; Yu Beibei; Pan Feng; Zhu Jianyu; Draayer, J. P.; Wen Tingdun; Yan, Yupeng

    2010-07-15

    High-spin states in {sup 84}Rb have been studied by using the {sup 70}Zn({sup 18}O,p3n){sup 84}Rb reaction at beam energy of 75 MeV. The gamma-gamma coincidence, excitation function, and ratios for directional correlation of oriented states were determined. A new level scheme was established in which the positive- and negative-parity bands have been extended up to 17{sup +} and 17{sup -} with an excitation energy of about 7 MeV. The signature splitting and signature inversion of the positive-parity yrast band were observed. To understand the microscopic origin of the signature inversion in the yrast positive-parity bands of doubly odd Rb nuclei, as an example, we performed calculations using the projected shell model to describe the energy spectra in {sup 84}Rb. It can be seen that the main features are reproduced in the calculations. This analysis shows that the signature splitting, especially its inversion, can be reproduced by varying only the gamma deformation with increasing spin. To research the deformation of {sup 84}Rb carefully, we calculate the total Routhian surfaces of positive-parity yrast states by the cranking shell model formalism. In addition, the results of theoretical calculations about the negative-parity yrast band in {sup 84}Rb with configuration pi(p{sub 3/2},f{sub 5/2}) x nug{sub 9/2} are compared with experimental data, and a band diagram calculated for this band is also shown to extract physics from the numerical results.

  15. Structural and electronic response of U{sub 3}Fe{sub 4}Ge{sub 4} to high pressure

    SciTech Connect (OSTI)

    Henriques, M. S.; Prchal, J.; Havela, L.; Raison, P.; Heathman, S.; Griveau, J.-C.; Colineau, E.; Gonalves, A. P.

    2015-03-21

    Structural, magnetic, and electrical properties have been studied on a U{sub 3}Fe{sub 4}Ge{sub 4} single crystal under hydrostatic pressure. The orthorhombic crystal structure is found to be stable up to 30 GPa, the highest applied pressure, but the compressibility is strongly anisotropic. Contrary to typical uranium intermetallics for which the softest lattice direction is along the shortest inter-uranium links, in U{sub 3}Fe{sub 4}Ge{sub 4} the lattice is compressed most in a perpendicular direction for the high pressure range. The elastic properties are modified considerably in the vicinity of 1?GPa when the b axis is transformed from least compressible to most compressible. The bulk modulus is found to be about 150?GPa. The anomalies in the elastic properties are reflected in the electronic properties that consistently indicate a change of the magnetic ground state from ferromagnetic to antiferromagnetic. Both types of order exhibit a gap in the magnon spectrum; however, it is twice as high for the ferromagnetic state. The magnetoresistance reveals field-induced transitions of different origins in the antiferromagnetic state along the easy and hard magnetization directions.

  16. Structural phase transitions in Bi2Se3 under high pressure

    SciTech Connect (OSTI)

    Yu, Zhenhai; Gu, Genda; Wang, Lin; Hu, Qingyang; Zhao, Jinggeng; Yan, Shuai; Yang, Ke; Sinogeikin, Stanislav; Mao, Ho -kwang

    2015-11-02

    Raman spectroscopy and angle dispersive X-ray diffraction (XRD) experiments of bismuth selenide (Bi2Se3) have been carried out to pressures of 35.6 and 81.2 GPa, respectively, to explore its pressure-induced phase transformation. The experiments indicate that a progressive structural evolution occurs from an ambient rhombohedra phase (Space group (SG): R-3m) to monoclinic phase (SG: C2/m) and eventually to a high pressure body-centered tetragonal phase (SG: I4/mmm). Evidenced by our XRD data up to 81.2 GPa, the Bi2Se3 crystallizes into body-centered tetragonal structures rather than the recently reported disordered body-centered cubic (BCC) phase. Furthermore, first principles theoretical calculations favor the viewpoint that the I4/mmm phase Bi2Se3 can be stabilized under high pressure (>30 GPa). Remarkably, the Raman spectra of Bi2Se3 from this work (two independent runs) are still Raman active up to ~35 GPa. Furthermore, it is worthy to note that the disordered BCC phase at 27.8 GPa is not observed here. The remarkable difference in atomic radii of Bi and Se in Bi2Se3 may explain why Bi2Se3 shows different structural behavior than isocompounds Bi2Te3 and Sb2Te3.

  17. Structure and Dynamics of Fuel Jets Injected into a High-Temperature Subsonic Crossflow: High-Data-Rate Laser Diagnostic Investigation under Steady and Oscillatory Conditions

    SciTech Connect (OSTI)

    Lucht, Robert; Anderson, William

    2015-01-23

    An investigation of subsonic transverse jet injection into a subsonic vitiated crossflow is discussed. The reacting jet in crossflow (RJIC) system investigated as a means of secondary injection of fuel in a staged combustion system. The measurements were performed in test rigs featuring (a) a steady, swirling crossflow and (b) a crossflow with low swirl but significant oscillation in the pressure field and in the axial velocity. The rigs are referred to as the steady state rig and the instability rig. Rapid mixing and chemical reaction in the near field of the jet injection is desirable in this application. Temporally resolved velocity measurements within the wake of the reactive jets using 2D-PIV and OH-PLIF at a repetition rate of 5 kHz were performed on the RJIC flow field in a steady state water-cooled test rig. The reactive jets were injected through an extended nozzle into the crossflow which is located in the downstream of a low swirl burner (LSB) that produced the swirled, vitiated crossflow. Both H2/N2 and natural gas (NG)/air jets were investigated. OH-PLIF measurements along the jet trajectory show that the auto-ignition starts on the leeward side within the wake region of the jet flame. The measurements show that jet flame is stabilized in the wake of the jet and wake vortices play a significant role in this process. PIV and OH–PLIF measurements were performed at five measurement planes along the cross- section of the jet. The time resolved measurements provided significant information on the evolution of complex flow structures and highly transient features like, local extinction, re-ignition, vortex-flame interaction prevalent in a turbulent reacting flow. Nanosecond-laser-based, single-laser-shot coherent anti-Stokes Raman scattering (CARS) measurements of temperature and H2 concentraiton were also performed. The structure and dynamics of a reacting transverse jet injected into a vitiated oscillatory crossflow presents a unique opportunity for

  18. Local structural distortion and electrical transport properties of Bi(Ni1/2Ti1/2)O3 perovskite under high pressure

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

    Zhu, Jinlong; Yang, Liuxiang; Wang, Hsiu -Wen; Zhang, Jianzhong; Yang, Wenge; Hong, Xinguo; Jin, Changqing; Zhao, Yusheng

    2015-12-16

    Perovskite-structure materials generally exhibit local structural distortions that are distinct from long-range, average crystal structure. The characterization of such distortion is critical to understanding the structural and physical properties of materials. In this work, we combined Pair Distribution Function (PDF) technique with Raman spectroscopy and electrical resistivity measurement to study Bi(Ni1/2Ti1/2)O3 perovskite under high pressure. PDF analysis reveals strong local structural distortion at ambient conditions. As pressure increases, the local structure distortions are substantially suppressed and eventually vanish around 4 GPa, leading to concurrent changes in the electronic band structure and anomalies in the electrical resistivity. We find, consistent withmore » PDF analysis, Raman spectroscopy data suggest that the local structure changes to a higher ordered state at pressures above 4 GPa.« less

  19. THE STRUCTURE OF SURFACE H{sub 2}O LAYERS OF ICE-COVERED PLANETS WITH HIGH-PRESSURE ICE

    SciTech Connect (OSTI)

    Ueta, S.; Sasaki, T. E-mail: takanori@geo.titech.ac.jp

    2013-10-01

    Many extrasolar (bound) terrestrial planets and free-floating (unbound) planets have been discovered. While the existence of bound and unbound terrestrial planets with liquid water is an important question, of particular importance is the question of these planets' habitability. Even for a globally ice-covered planet, geothermal heat from the planetary interior may melt the interior ice, creating an internal ocean covered by an ice shell. In this paper, we discuss the conditions that terrestrial planets must satisfy for such an internal ocean to exist on the timescale of planetary evolution. The question is addressed in terms of planetary mass, distance from a central star, water abundance, and abundance of radiogenic heat sources. In addition, we investigate the structure of the surface H{sub 2}O layers of ice-covered planets by considering the effects of ice under high pressure (high-pressure ice). As a fiducial case, a 1 M{sub ?} planet at 1 AU from its central star and with 0.6-25 times the H{sub 2}O mass of the Earth could have an internal ocean. We find that high-pressure ice layers may appear between the internal ocean and the rock portion on a planet with an H{sub 2}O mass over 25 times that of the Earth. The planetary mass and abundance of surface water strongly restrict the conditions under which an extrasolar terrestrial planet may have an internal ocean with no high-pressure ice under the ocean. Such high-pressure ice layers underlying the internal ocean are likely to affect the habitability of the planet.

  20. Insights into Stress Corrosion Cracking Mechanisms from High-Resolution Measurements of Crack-Tip Structures and Compositions

    SciTech Connect (OSTI)

    Bruemmer, Stephen M.; Thomas, Larry E.

    2004-11-25

    Recent results are presented demonstrating the application of cross-sectional analytical transmission electron microscopy (ATEM) to corrosion and cracking in high-temperature, light-water-reactor (LWR) environments. Structural, compositional and crystallographic characterizations of crack-tip oxide films and interfaces at near-atomic resolutions reveal evidence for unexpected local environments, corrosion reactions and local changes in the alloy metallurgy. Information obtained by high-resolution imaging and analysis indicates the corrosion processes that occur during crack advance, and provides insights into the mechanisms controlling environmental degradation. Examples of intergranular stress-corrosion cracking (IGSCC) in Ni- and Fe-base stainless alloys are reviewed to illustrate the value of this approach. Comparisons are made between crack characteristics found in components removed from long-term LWR service and those in materials tested under well-controlled laboratory conditions. Key insights into crack corrosion environments and advance mechanisms are established for Ni-base alloy 600 in steam-generator, secondary-water environments. Solution impurities such as Pb are often found in high concentrations at leading-edge reaction zones within porous, corrosion-product films. The presence of nanometer-wide, deeply attacked grain boundaries off the main SCC cracks (without evidence for plastic deformation) is believed to indicate a major role of active-path IG corrosion in the SCC process. Similar characteristics are identified for alloy 600 cracking in primary water. This suggests that Pb may only accelerate the IG corrosion process and not alter the basic degradation mechanism. Quite different IGSCC crack and crack-tip characteristics have been discovered for Fe-base stainless steels in LWR environments. More classic SCC crack and crack-tip structures have been seen in non-sensitized materials with wall oxide films extending to the tips. Cracked components

  1. Recent Progress in the Structure Determination of GPCRs, a Membrane Protein Family with High Potential as Pharmaceutical Targets

    SciTech Connect (OSTI)

    Cherezov, Vadim; Abola, Enrique; Stevens, Raymond C.

    2015-11-30

    G protein-coupled receptors (GPCRs) constitute a highly diverse and ubiquitous family of integral membrane proteins, transmitting signals inside the cells in response to an assortment of disparate extra-cellular stimuli. Their strategic location on the cell surface and their involvement in crucial cellular and physiological processes turn these receptors into highly important pharmaceutical targets. Recent technological developments aimed at stabilization and crystallization of these receptors have led to significant breakthroughs in GPCR structure determination efforts. One of the successful approaches involved receptor stabilization with the help of a fusion partner combined with crystallization in lipidic cubic phase (LCP). The success of using an LCP matrix for crystallization is generally attributed to the creation of a more native, membrane-like stabilizing environment for GPCRs just prior to nucleation and to the formation of type I crystal lattices, thus generating highly ordered and strongly diffracting crystals. Here they describe protocols for reconstituting purified GPCRs in LCP, performing pre-crystallization assays, setting up crystallization trials in manual mode, detecting crystallization hits, optimizing crystallization conditions, harvesting, and collecting crystallographic data. The protocols provide a sensible framework for approaching crystallization of stabilized GPCRs in LCP, however, as in any crystallization experiment, extensive screening and optimization of crystallization conditions as well as optimization of protein construct and purification steps are required. The process remains risky and these protocols do not necessarily guarantee success.

  2. Support Structure Design of the $$\\hbox{Nb}_{3}\\hbox{Sn}$$ Quadrupole for the High Luminosity LHC

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

    Juchno, M.; Ambrosio, G.; Anerella, M.; Cheng, D.; Felice, H.; Ferracin, P.; Perez, J. C.; Prin, H.; Schmalzle, J.

    2014-10-31

    New low-β quadrupole magnets are being developed within the scope of the High Luminosity LHC (HL-LHC) project in collaboration with the US LARP program. The aim of the HLLHC project is to study and implement machine upgrades necessary for increasing the luminosity of the LHC. The new quadrupoles, which are based on the Nb₃Sn superconducting technology, will be installed in the LHC Interaction Regions and will have to generate a gradient of 140 T/m in a coil aperture of 150 mm. In this paper, we describe the design of the short model magnet support structure and discuss results of themore » detailed 3D numerical analysis performed in preparation for the first short model test.« less

  3. High resolution structures of the bone morphogenetic protein type II receptor in two crystal forms: Implications for ligand binding

    SciTech Connect (OSTI)

    Mace, Peter D.; Cutfield, John F.; Cutfield, Sue M. . E-mail: sue.cutfield@otago.ac.nz

    2006-12-29

    BMPRII is a type II TGF-{beta} serine threonine kinase receptor which is integral to the bone morphogenetic protein (BMP) signalling pathway. It is known to bind BMP and growth differentiation factor (GDF) ligands, and has overlapping ligand specificity with the activin type II receptor, ActRII. In contrast to activin and TGF-{beta} type ligands, BMPs bind to type II receptors with lower affinity than type I receptors. Crystals of the BMPRII ectodomain were grown in two different forms, both of which diffracted to high resolution. The tetragonal form exhibited some disorder, whereas the entire polypeptide was seen in the orthorhombic form. The two structures retain the basic three-finger toxin fold of other TGF-{beta} receptor ectodomains, and share the main hydrophobic patch used by ActRII to bind various ligands. However, they present different conformations of the A-loop at the periphery of the proposed ligand-binding interface, in conjunction with rearrangement of a disulfide bridge within the loop. This particular disulfide (Cys94-Cys117) is only present in BMPRII and activin receptors, suggesting that it is important for their likely shared mode of binding. Evidence is presented that the two crystal forms represent ligand-bound and free conformations of BMPRII. Comparison with the solved structure of ActRII bound to BMP2 suggests that His87, unique amongst TGF-{beta} receptors, may play a key role in ligand recognition.

  4. Micro-Structured Sapphire Fiber Sensors for Simultaneous Measurements of High-T and Dynamic Gas Pressure in Harsh Environments

    SciTech Connect (OSTI)

    Xiao, Hai; Tsai, Hai-Lung; Dong, Junhang

    2014-09-30

    This is the final report for the program “Micro-Structured Sapphire Fiber Sensors for Simultaneous Measurements of High Temperature and Dynamic Gas Pressure in Harsh Environments”, funded by NETL, and performed by Missouri University of Science and Technology, Clemson University and University of Cincinnati from October 1, 2009 to September 30, 2014. Securing a sustainable energy economy by developing affordable and clean energy from coal and other fossil fuels is a central element to the mission of The U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL). To further this mission, NETL funds research and development of novel sensor technologies that can function under the extreme operating conditions often found in advanced power systems. The main objective of this research program is to conduct fundamental and applied research that will lead to successful development and demonstration of robust, multiplexed, microstructured silica and single-crystal sapphire fiber sensors to be deployed into the hot zones of advanced power and fuel systems for simultaneous measurements of high temperature and gas pressure. The specific objectives of this research program include: 1) Design, fabrication and demonstration of multiplexed, robust silica and sapphire fiber temperature and dynamic gas pressure sensors that can survive and maintain fully operational in high-temperature harsh environments. 2) Development and demonstration of a novel method to demodulate the multiplexed interferograms for simultaneous measurements of temperature and gas pressure in harsh environments. 3) Development and demonstration of novel sapphire fiber cladding and low numerical aperture (NA) excitation techniques to assure high signal integrity and sensor robustness.

  5. Challenges and opportunities for structural DNA nanotechnology

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

    In particular, we highlight the potential use of DNA nanostructures in molecular and cellular biophysics, as biomimetic systems, in energy transfer and photonics, and in ...

  6. UNDERSTANDING PHYSICAL CONDITIONS IN HIGH-REDSHIFT GALAXIES THROUGH C I FINE STRUCTURE LINES: DATA AND METHODOLOGY

    SciTech Connect (OSTI)

    Jorgenson, Regina A.; Wolfe, Arthur M.; Prochaska, J. Xavier

    2010-10-10

    We probe the physical conditions in high-redshift galaxies, specifically, the damped Ly{alpha} systems (DLAs) using neutral carbon (C I) fine structure lines and molecular hydrogen (H{sub 2}). We report five new detections of C I and analyze the C I in an additional two DLAs with previously published data. We also present one new detection of H{sub 2} in a DLA. We present a new method of analysis that simultaneously constrains both the volume density and the temperature of the gas, as opposed to previous studies that a priori assumed a gas temperature. We use only the column density of C I measured in the fine structure states and the assumption of ionization equilibrium in order to constrain the physical conditions in the gas. We present a sample of 11 C I velocity components in six DLAs and compare their properties to those derived by the global C II* technique. The resulting median values for this sample are (n(H I)) = 69 cm{sup -3}, (T) = 50 K, and (log(P/k)) = 3.86 cm{sup -3} K, with standard deviations, {sigma}{sub n(H{sub i})} = 134 cm{sup -3}, {sigma}{sub T} = 52 K, and {sigma}{sub log(P/k)} = 3.68 cm{sup -3} K. This can be compared with the integrated median values for the same DLAs: (n(H I)) = 2.8 cm{sup -3}, (T) = 139 K, and (log(P/k)) = 2.57 cm{sup -3} K, with standard deviations {sigma}{sub n(H{sub i})} = 3.0 cm{sup -3}, {sigma}{sub T} = 43 K, and {sigma}{sub log(P/k)} = 0.22 cm{sup -3} K. Interestingly, the pressures measured in these high-redshift C I clouds are similar to those found in the Milky Way. We conclude that the C I gas is tracing a higher-density, higher-pressure region, possibly indicative of post-shock gas or a photodissociation region on the edge of a molecular cloud. We speculate that these clouds may be direct probes of the precursor sites of star formation in normal galaxies at high redshift.

  7. Structural and electrochemical properties of nanostructured nickel silicides by reduction and silicification of high-surface-area nickel oxide

    SciTech Connect (OSTI)

    Chen, Xiao [Laboratory of Advanced Materials and Catalytic Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China)] [Laboratory of Advanced Materials and Catalytic Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China); Zhang, Bingsen [Department of Inorganic Chemistry, Fritz Haber Institute of the Max Planck Society (Germany)] [Department of Inorganic Chemistry, Fritz Haber Institute of the Max Planck Society (Germany); Li, Chuang; Shao, Zhengfeng [Laboratory of Advanced Materials and Catalytic Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China)] [Laboratory of Advanced Materials and Catalytic Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China); Su, Dangsheng [Department of Inorganic Chemistry, Fritz Haber Institute of the Max Planck Society (Germany)] [Department of Inorganic Chemistry, Fritz Haber Institute of the Max Planck Society (Germany); Williams, Christopher T. [Department of Chemical Engineering, Swearingen Engineering Center, University of South Carolina (United States)] [Department of Chemical Engineering, Swearingen Engineering Center, University of South Carolina (United States); Liang, Changhai, E-mail: changhai@dlut.edu.cn [Laboratory of Advanced Materials and Catalytic Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China)] [Laboratory of Advanced Materials and Catalytic Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China)

    2012-03-15

    Graphical abstract: Nanostructured nickel silicides have been synthesized by reduction and silification of high-surface-area nickel oxide, and exhibited remarkably like-noble metal property, lower electric resistivity, and ferromagnetism at room temperature. Highlights: Black-Right-Pointing-Pointer NiSi{sub x} have been prepared by reduction and silification of high-surface-area NiO. Black-Right-Pointing-Pointer The structure of nickel silicides changed with increasing reaction temperature. Black-Right-Pointing-Pointer Si doping into nickel changed the magnetic properties of metallic nickel. Black-Right-Pointing-Pointer NiSi{sub x} have remarkably lower electric resistivity and like-noble metal property. -- Abstract: Nanostructured nickel silicides have been prepared by reduction and silicification of high-surface-area nickel oxide (145 m{sup 2} g{sup -1}) produced via precipitation. The prepared materials were characterized by nitrogen adsorption, X-ray diffraction, thermal analysis, FT-IR spectroscopy, scanning electron microscopy, transmission electron microscopy, magnetic and electrochemical measurements. The nickel silicide formation involves the following sequence: NiO (cubic) {yields} Ni (cubic) {yields} Ni{sub 2}Si (orthorhombic) {yields} NiSi (orthorhombic) {yields} NiSi{sub 2} (cubic), with particles growing from 13.7 to 21.3 nm. The nickel silicides are ferromagnetic at room temperature, and their saturation magnetization values change drastically with the increase of Si content. Nickel silicides have remarkably low electrical resistivity and noble metal-like properties because of a constriction of the Ni d band and an increase of the electronic density of states. The results suggest that such silicides are promising candidates as inexpensive yet functional materials for applications in electrochemistry as well as catalysis.

  8. Biomimetic Actinide Chelators: An Update on the Preclinical Development of the Orally Active Hydroxypyridonate Decorporation Agents 3,4,3-LI(1,2-HOPO) and 5-LIO(Me-3,2-HOPO)

    SciTech Connect (OSTI)

    Durbin, Patricia W.; Kullgren, Birgitta; Ebbe, Shirley N.; Xu, Jide; Chang, Polly Y.; Bunin, Deborah I.; Blakely, Eleanor A.; Bjornstad, Kathleen A.; Rosen, Chris J.; Shuh, David K.; Raymond, Kenneth N.

    2011-07-13

    The threat of a dirty bomb or other major radiological contamination presents a danger of large-scale radiation exposure of the population. Because major components of such contamination are likely to be actinides, actinide decorporation treatments that will reduce radiation exposure must be a priority. Current therapies for the treatment of radionuclide contamination are limited and extensive efforts must be dedicated to the development of therapeutic, orally bioavailable, actinide chelators for emergency medical use. Using a biomimetic approach based on the similar biochemical properties of plutonium(IV) and iron(III), siderophore-inspired multidentate hydroxypyridonate ligands have been designed and are unrivaled in terms of actinide-affinity, selectivity, and efficiency. A perspective on the preclinical development of two hydroxypyridonate actinide decorporation agents, 3,4,3-LI(1,2-HOPO) and 5-LIO(Me-3,2-HOPO), is presented. The chemical syntheses of both candidate compounds have been optimized for scale-up. Baseline preparation and analytical methods suitable for manufacturing large amounts have been established. Both ligands show much higher actinide-removal efficacy than the currently approved agent, diethylenetriaminepentaacetic acid (DTPA), with different selectivity for the tested isotopes of plutonium, americium, uranium and neptunium. No toxicity is observed in cells derived from three different human tissue sources treated in vitro up to ligand concentrations of 1 mM, and both ligands were well tolerated in rats when orally administered daily at high doses (>100 micromol kg d) over 28 d under good laboratory practice guidelines. Both compounds are on an accelerated development pathway towards clinical use.

  9. Couples Magnetic and Structural Transitions in High-Purity Dy and Gd5SbxGe4-x

    SciTech Connect (OSTI)

    Alexander S. Chernyshov

    2006-08-09

    Magnetic materials exhibiting magnetic phase transitions simultaneously with structural rearrangements of their crystal lattices hold a promise for numerous applications including magnetic refrigeration, magnetomechanical devices and sensors. We undertook a detailed study of a single crystal of dysprosium metal, which is a classical example of a system where magnetic and crystallographic sublattices can be either coupled or decoupled from one another. Magnetocaloric effect, magnetization, ac magnetic susceptibility, and heat capacity of high purity single crystals of dysprosium have been investigated over broad temperature and magnetic field intervals with the magnetic field vector parallel to either the a- or c-axes of the crystal. Notable differences in the behavior of the physical properties when compared to Dy samples studied in the past have been observed between 110 K and 125 K, and between 178 K and {approx}210 K. A plausible mechanism based on the formation of antiferromagnetic clusters in the impure Dy has been suggested in order to explain the reduction of the magnetocaloric effect in the vicinity of the Neel point. Experimental and theoretical investigations of the influence of commensurability effects on the magnetic phase diagram and the value of the magnetocaloric effect have been conducted. The presence of newly found anomalies in the physical properties has been considered as evidence of previously unreported states of Dy. The refined magnetic phase diagram of dysprosium with the magnetic field vector parallel to the a-axis of a crystal has been constructed and discussed. The magnetic and crystallographic properties of Gd{sub 5}Sb{sub x}Ge{sub 4-x} pseudo-binary system were studied by x-ray diffraction (at room temperature), heat capacity, ac-magnetic susceptibility, and magnetization in the temperature interval 5-320 K in magnetic fields up to 100 kOe. The magnetic properties of three composition (x = 0.5, 1,2) were examined in detail. The Gd{sub 5

  10. Insights into Stress Corrosion Cracking Mechanisms from High-Resolution Measurements of Crack-Tip Structures and Compositions

    SciTech Connect (OSTI)

    Bruemmer, Stephen M.; Thomas, Larry E.

    2010-04-05

    The fundamental basis for mechanistic understanding and modeling of SCC remains in question for many systems. Specific mechanisms controlling SCC can vary with changes in alloy characteristics, applied/residual stress or environmental conditions. The local crack electrochemistry, crack-tip mechanics and material metallurgy are the main factors controlling crack growth. These localized properties are difficult or impossible to measure in active cracks. Nevertheless, it is essential to quantitatively interrogate these crack-tip conditions if mechanistic understanding is to be obtained. A major recent advance has been the ability to investigate SCC cracks and crack tips using high-resolution ATEM techniques. ATEM enables the characterization of SCC cracks including trapped tip solution chemistries, corrosion product/film compositions and structures, and elemental composition gradients and defect microstructures along the crack walls and at the crack tip. A wide variety of methods for imaging and analyses at resolutions down to the atomic level can be used to examine the crack and corrosion film characteristics. Surface films and reaction layers have been examined by cross-sectional TEM techniques, but little work had been conducted on environmentally induced internal cracks until that of Lewis and co-workers [1-3] and the current authors [4-17]. This capability combined with modern ATEM techniques has enabled exciting new insights into corrosion processes occurring at buried interfaces and is being used to identify mechanisms controlling IGSCC in boiling water reactor (BWR) and pressurized water reactor (PWR) components. The objective of this paper is to summarize certain results focused on IGSCC of Fe- base and Ni-base stainless alloys in high-temperature water environments. Representative crack-tip examples will be shown to illustrate specific aspects that are characteristic of SCC in the material/environment combinations. Differences and similarities in crack

  11. Crystal structure of high-Zr inclusions in an alloy containing U, Pu, Np, Am, Zr and rare-earth elements

    SciTech Connect (OSTI)

    Dawn E. Janney; James W. Madden; J. Rory Kennedy; Thomas P. O'Holleran

    2014-05-01

    Researchers commonly observe high-Zr inclusions in actinide-Zr alloys. As there is very little published data on the crystal structures of these inclusions, it has generally been assumed that the inclusions were impurity-stabilized a-Zr. However, new electron-diffraction data from two high-Zr inclusions in an alloy containing U, Pu, Np, Am, Zr, and rare-earth elements show that these inclusions are not a-Zr (which has a hexagonal structure) but instead have a face-centered cubic structure. This data is unique in that it combines single-crystal diffraction patterns and microchemical analyses from individual inclusions. More data on other high-Zr inclusions is clearly required. However, the present results suggest that caution is needed in assuming that all high-Zr inclusions in actinide-Zr alloys are a-Zr.

  12. Two- and three-dimensional ultrananocrystalline diamond (UNCD) structures for a high resolution diamond-based MEMS technology.

    SciTech Connect (OSTI)

    Auciello, O.; Krauss, A. R.; Gruen, D. M.; Busmann, H. G.; Meyer, E. M.; Tucek, J.; Sumant, A.; Jayatissa, A.; Moldovan, N.; Mancini, D. C.; Gardos, M. N.

    2000-01-17

    Silicon is currently the most commonly used material for the fabrication of microelectromechanical systems (MEMS). However, silicon-based MEMS will not be suitable for long-endurance devices involving components rotating at high speed, where friction and wear need to be minimized, components such as 2-D cantilevers that may be subjected to very large flexural displacements, where stiction is a problem, or components that will be exposed to corrosive environments. The mechanical, thermal, chemical, and tribological properties of diamond make it an ideal material for the fabrication of long-endurance MEMS components. Cost-effective fabrication of these components could in principle be achieved by coating Si with diamond films and using conventional lithographic patterning methods in conjunction with e. g. sacrificial Ti or SiO{sub 2} layers. However, diamond coatings grown by conventional chemical vapor deposition (CVD) methods exhibit a coarse-grained structure that prevents high-resolution patterning, or a fine-grained microstructure with a significant amount of intergranular non-diamond carbon. The authors demonstrate here the fabrication of 2-D and 3-D phase-pure ultrananocrystalline diamond (UNCD) MEMS components by coating Si with UNCD films, coupled with lithographic patterning methods involving sacrificial release layers. UNCD films are grown by microwave plasma CVD using C{sub 60}-Ar or CH{sub 4}-Ar gas mixtures, which result in films that have 3--5 nm grain size, are 10--20 times smoother than conventionally grown diamond films, are extremely resistant to corrosive environments, and are predicted to have a brittle fracture strength similar to that of single crystal diamond.

  13. Conformational and Structural Properties of High Functionality Dendrimer-like Star Polymers Synthesized from Living Polymerization Techniques

    SciTech Connect (OSTI)

    Pople, John A.

    2001-03-22

    The design, synthesis and solution properties of dendritic-linear hybrid macromolecules is described. The synthetic strategy employs living ring-opening polymerization in combination with selective and quantitative organic transformations for the preparation of new molecular architectures similar to classical star polymers and dendrimers. The polymers were constructed from high molecular weight poly(e-caprolactone) initiated from the surface hydroxyl groups of dendrimers derived from bis(hydroxymethyl) propionic acid (bis-MPA) in the presence of stannous 2-ethyl hexanoate (Sn(Oct)2). In this way, star and hyperstar poly(e-caprolactones) were elaborated depending on the generation of dendrimer employed. The ROP from these hydroxy groups was found to be a facile process leading to controlled molecular weight, low dispersity products (Mw/Mn) < 1.15. In addition to the use of dendrimers as building blocks to star polymers, functional dendrons derived from bis-MPA were attached to chain ends of the star polymers, yielding structures that closely resemble that of the most advanced dendrimers. Measurements of the solution properties (hydrodynamic volume vs. molecular weight) on the dendritic-linear hybrids show a deviation from linearity, with a lower than expected hydrodynamic volume, analogous to the solution properties of dendrimers of high generation number. The onset of the deviation begins with the polymers initiated from the second generation dendrimer of bis-MPA and becomes more exaggerated with the higher generations. It was found that polymerization amplifies the nonlinear solution behavior of dendrimers. Small angle neutron scattering (SANS) measurements revealed that the radius of gyration scaled with arm functionality (f) as f 2/3, in accordance with the Daoud-Cotton model for many arm star polymer.

  14. Effect of surface produced secondary electrons on the sheath structure induced by high-power microwave window breakdown

    SciTech Connect (OSTI)

    Cheng Guoxin; Liu Lie

    2011-03-15

    Dielectric window breakdown, whose mechanism is not thoroughly understood, is a major factor of limiting the transmission and radiation of high-power microwave on the order of 1 GW. In this paper, a one-dimensional fluid-like sheath model is developed to investigate the sheath structures formed at different gas pressures. The dominant processes during the surface flashover are isolated by this model. In vacuum, electron multipactor is self-sustained by secondary electron emission, a positive space-charge potential is formed on the dielectric surface. With increasing gas pressure, electron-neutral ionization prevails against secondary electron emission. The multipactor effect is suppressed by the shielding of plasma electrons. This leads to the sheath potential changing gradually from a positive space-charge potential to a negative space-charge potential. For argon gas pressure lower than 14 Torr, the sheath is space charge limited. A potential minimum could be formed in front of the dielectric which traps secondary electrons emitted from the wall. With the higher argon gas pressure, the number density of ions becomes comparable to that of electrons, all surface produced electrons are accelerated toward the presheath region. Therefore, the normal sheath is formed and the resulting surface flashover on the dielectric surface becomes rf-driven volumetric breakdown.

  15. A novel high capacity positive electrode material with tunnel-type structure for aqueous sodium-ion batteries

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

    Wang, Yuesheng; Mu, Linqin; Liu, Jue; Yang, Zhenzhong; Yu, Xiqian; Gu, Lin; Hu, Yong -Sheng; Li, Hong; Yang, Xiao -Qing; Chen, Liquan; et al

    2015-08-06

    In this study, aqueous sodium-ion batteries have shown desired properties of high safety characteristics and low-cost for large-scale energy storage applications such as smart grid, because of the abundant sodium resources as well as the inherently safer aqueous electrolytes. Among various Na insertion electrode materials, tunnel-type Na0.44MnO2 has been widely investigated as a positive electrode for aqueous sodium-ion batteries. However, the low achievable capacity hinders its practical applications. Here we report a novel sodium rich tunnel-type positive material with a nominal composition of Na0.66[Mn0.66Ti0.34]O2. The tunnel-type structure of Na0.44MnO2 obtained for this compound was confirmed by XRD and atomic-scale STEM/EELS.more » When cycled as positive electrode in full cells using NaTi2(PO4)3/C as negative electrode in 1M Na2SO4 aqueous electrolyte, this material shows the highest capacity of 76 mAh g-1 among the Na insertion oxides with an average operating voltage of 1.2 V at a current rate of 2C. These results demonstrate that Na0.66[Mn0.66Ti0.34]O2 is a promising positive electrode material for rechargeable aqueous sodium-ion batteries.« less

  16. High Pressure Scanning Tunneling Microscopy and High PressureX-ray Photoemission Spectroscopy Studies of Adsorbate Structure,Composition and Mobility during Catalytic Reactions on A Model SingleCrystal

    SciTech Connect (OSTI)

    Montano, M.O.

    2006-05-12

    Our research focuses on taking advantage of the ability of scanning tunneling microscopy (STM) to operate at high-temperatures and high-pressures while still providing real-time atomic resolution images. We also utilize high-pressure x-ray photoelectron spectroscopy (HPXPS) to monitor systems under identical conditions thus giving us chemical information to compare and contrast with the structural and dynamic data provided by STM.

  17. Three-dimensional skeleton networks of graphene wrapped polyaniline nanofibers: An excellent structure for high-performance flexible solid-state supercapacitors

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

    Hu, Nantao; Zhang, Liling; Yang, Chao; Zhao, Jian; Yang, Zhi; Wei, Hao; Liao, Hanbin; Feng, Zhenxing; Fisher, Adrian; Zhang, Yafei; et al

    2016-01-22

    Thin, robust, lightweight, and flexible supercapacitors (SCs) have aroused growing attentions nowadays due to the rapid development of flexible electronics. Graphene-polyaniline (PANI) hybrids are attractive candidates for high performance SCs. In order to utilize them in real devices, it is necessary to improve the capacitance and the structure stability of PANI. Here we report a hierarchical three-dimensional structure, in which all of PANI nanofibers (NFs) are tightly wrapped inside reduced graphene oxide (rGO) nanosheet skeletons, for high-performance flexible SCs. The as-fabricated film electrodes with this unique structure showed a highest gravimetric specific capacitance of 921 F/g and volumetric capacitance ofmore » 391 F/cm3. The assembled solid-state SCs gave a high specific capacitance of 211 F/g (1 A/g), a high area capacitance of 0.9 F/cm2, and a competitive volumetric capacitance of 25.6 F/cm3. The SCs also exhibited outstanding rate capability (~75% retention at 20 A/g) as well as excellent cycling stability (100% retention at 10 A/g for 2000 cycles). Additionally, no structural failure and loss of performance were observed under the bending state. Lastly, this structure design paves a new avenue for engineering rGO/PANI or other similar hybrids for high performance flexible energy storage devices.« less

  18. Structural Insight on the Mechanism of Regulation of the MarR Family of Proteins: High-Resolution Crystal Structure of a Transcriptional Repressor from Methanobacterium thermoautotrophicum

    SciTech Connect (OSTI)

    Saridakis, Vivian; Shahinas, Dea; Xu, Xiaohui; Christendat, Dinesh

    2008-03-31

    Transcriptional regulators belonging to the MarR family are characterized by a winged-helix DNA binding domain. These transcriptional regulators regulate the efflux and influx of phenolic agents in bacteria and archaea. In Escherichia coli, MarR regulates the multiple antibiotic resistance operon and its inactivation produces a multiple antibiotic resistance phenotype. In some organisms, active efflux of drug compounds will produce a drug resistance phenotype, whereas in other organisms, active influx of chlorinated hydrocarbons results in their rapid degradation. Although proteins in the MarR family are regulators of important biological processes, their mechanism of action is not well understood and structural information about how phenolic agents regulate the activity of these proteins is lacking. This article presents the three-dimensional structure of a protein of the MarR family, MTH313, in its apo form and in complex with salicylate, a known inactivator. A comparison of these two structures indicates that the mechanism of regulation involves a large conformational change in the DNA binding lobe. Electrophoretic mobility shift assay and biophysical analyses further suggest that salicylate inactivates MTH313 and prevents it from binding to its promoter region.

  19. Bioorganometallic chemistry: biocatalytic oxidation reactions with biomimetic nad+/nadh co-factors and [cp*rh(bpy)h]+ for selective organic synthesis

    SciTech Connect (OSTI)

    Lutz, Jochen; Hollman, Frank; Ho, The Vinh; Schnyder, Adrian; Fish, Richard H.; Schmid, Andreas

    2004-03-09

    The biocatalytic, regioselective hydroxylation of 2-hydroxybiphenyl to the corresponding catechol was accomplished utilizing the monooxygenase 2-hydroxybiphenyl 3-monooxygenase (HbpA). The necessary natural nicotinamide adenine dinucleotide (NAD{sup +}) co-factor for this biocatalytic process was replaced by a biomimetic co-factor, N-benzylnicotinamide bromide, 1a. The interaction between the flavin (FAD) containing HbpA enzyme and the corresponding biomimetic NADH compound, N-benzyl-1,4-dihdronicotinamide, 1b, for hydride transfers, was shown to readily occur. The in situ recycling of the reduced NADH biomimic 1b from 1a was accomplished with [Cp*Rh(bpy)H](Cl); however, productive coupling of this regeneration reaction to the enzymatic hydroxylation reaction was not totally successful, due to a deactivation process concerning the HbpA enzyme peripheral groups; i.e., -SH or -NH{sub 2} possibly reacting with the precatalyst, [Cp*Rh(bpy)(H{sub 2}O)](Cl){sub 2}, and thus inhibiting the co-factor regeneration process. The deactivation mechanism was studied, and a promising strategy of derivatizing these peripheral -SH or -NH{sub 2} groups with a polymer containing epoxide was successful in circumventing the undesired interaction between HbpA and the precatalyst. This latter strategy allowed tandem co-factor regeneration using 1a or 2a, [Cp*Rh(bpy)(H2O)](Cl){sub 2}, and formate ion, in conjunction with the polymer bound, FAD containing HbpA enzyme to provide the catechol product.

  20. A novel high capacity positive electrode material with tunnel-type structure for aqueous sodium-ion batteries

    SciTech Connect (OSTI)

    Wang, Yuesheng; Mu, Linqin; Liu, Jue; Yang, Zhenzhong; Yu, Xiqian; Gu, Lin; Hu, Yong -Sheng; Li, Hong; Yang, Xiao -Qing; Chen, Liquan; Huang, Xuejie

    2015-08-06

    In this study, aqueous sodium-ion batteries have shown desired properties of high safety characteristics and low-cost for large-scale energy storage applications such as smart grid, because of the abundant sodium resources as well as the inherently safer aqueous electrolytes. Among various Na insertion electrode materials, tunnel-type Na0.44MnO2 has been widely investigated as a positive electrode for aqueous sodium-ion batteries. However, the low achievable capacity hinders its practical applications. Here we report a novel sodium rich tunnel-type positive material with a nominal composition of Na0.66[Mn0.66Ti0.34]O2. The tunnel-type structure of Na0.44MnO2 obtained for this compound was confirmed by XRD and atomic-scale STEM/EELS. When cycled as positive electrode in full cells using NaTi2(PO4)3/C as negative electrode in 1M Na2SO4 aqueous electrolyte, this material shows the highest capacity of 76 mAh g-1 among the Na insertion oxides with an average operating voltage of 1.2 V at a current rate of 2C. These results demonstrate that Na0.66[Mn0.66Ti0.34]O2 is a promising positive electrode material for rechargeable aqueous sodium-ion batteries.

  1. Structures of two intermediate phases between the B1 and B2 phases of PbS under high pressure

    SciTech Connect (OSTI)

    Li, Yanchun E-mail: liuj@ihep.ac.cn; Lin, Chuanlong; Li, Xiaodong; Liu, Jing E-mail: liuj@ihep.ac.cn; Xu, Jian; Li, Gong

    2014-12-15

    The structural transitions of PbS were investigated at pressures up to 50 GPa using synchrotron powder and single crystal X-ray diffraction (XRD) methods in diamond anvil cells. We found two intermediate phases between the B1 phase under atmospheric pressure and the B2 phase at 21.1 GPa, which is different to previous reports. The structures of these two intermediate phases were indexed as B27 and B33, respectively. Their structural parameters were investigated using density functional theory (DFT) calculations. Our results provide a new insight into understanding the transition pathway between the B1 and B2 phases in PbS.

  2. Crump Geyser Exploration and Drilling Project. High Precision Geophysics and Detailed Structural Exploration and Slim Well Drilling

    SciTech Connect (OSTI)

    Fairbank, Brian D.; Smith, Nicole

    2015-06-10

    The Crump Geyser Exploration and Drilling Project – High Precision Geophysics and Detailed Structural Exploration and Slim Well Drilling ran from January 29, 2010 to September 30, 2013. During Phase 1 of the project, collection of all geophysical surveys was completed as outlined in the Statement of Project Objectives. In addition, a 5000-foot full sized exploration well was drilled by Ormat, and preexisting drilling data was discovered for multiple temperature gradient wells within the project area. Three dimensional modeling and interpretation of results from the geophysical surveys and drilling data gave confidence to move to the project into Phase 2 drilling. Geological and geophysical survey interpretations combined with existing downhole temperature data provided an ideal target for the first slim-hole drilled as the first task in Phase 2. Slim-hole 35-34 was drilled in September 2011 and tested temperature, lithology, and permeability along the primary range-bounding fault zone near its intersection with buried northwest-trending faults that have been identified using geophysical methods. Following analysis of the results of the first slim-hole 35-34, the second slim hole was not drilled and subsequent project tasks, including flowing differential self-potential (FDSP) surveys that were designed to detail the affect of production and injection on water flow in the shallow aquifer, were not completed. NGP sold the Crump project to Ormat in August 2014, afterwards, there was insufficient time and interest from Ormat available to complete the project objectives. NGP was unable to continue managing the award for a project they did not own due to liability issues and Novation of the award was not a viable option due to federal award timelines. NGP submitted a request to mutually terminate the award on February 18, 2015. The results of all of the technical surveys and drilling are included in this report. Fault interpretations from surface geology, aeromag

  3. Low-loss bloch wave guiding in open structures and highly compact efficient waveguide-crossing arrays

    DOE Patents [OSTI]

    Popovic, Milos

    2011-03-08

    Low-loss waveguide structures may comprise a multimode waveguide supporting a periodic light intensity pattern, and attachments disposed at the waveguide adjacent low-intensity regions of the light intensity pattern.

  4. High-Resolution Structure of a Self-Assembly-Competent Form of a Hydrophobic Peptide Captured in a Soluble [beta]-Sheet Scaffold

    SciTech Connect (OSTI)

    Makabe, Koki; Biancalana, Matthew; Yan, Shude; Tereshko, Valentina; Gawlak, Grzegorz; Miller-Auer, Hlne; Meredith, Stephen C.; Koide, Shohei

    2010-02-08

    {beta}-Rich self-assembly is a major structural class of polypeptides, but still little is known about its atomic structures and biophysical properties. Major impediments for structural and biophysical studies of peptide self-assemblies include their insolubility and heterogeneous composition. We have developed a model system, termed peptide self-assembly mimic (PSAM), based on the single-layer {beta}-sheet of Borrelia outer surface protein A. PSAM allows for the capture of a defined number of self-assembly-like peptide repeats within a water-soluble protein, making structural and energetic studies possible. In this work, we extend our PSAM approach to a highly hydrophobic peptide sequence. We show that a penta-Ile peptide (Ile{sub 5}), which is insoluble and forms {beta}-rich self-assemblies in aqueous solution, can be captured within the PSAM scaffold in a form capable of self-assembly. The 1.1-{angstrom} crystal structure revealed that the Ile{sub 5} stretch forms a highly regular {beta}-strand within this flat {beta}-sheet. Self-assembly models built with multiple copies of the crystal structure of the Ile5 peptide segment showed no steric conflict, indicating that this conformation represents an assembly-competent form. The PSAM retained high conformational stability, suggesting that the flat {beta}-strand of the Ile{sub 5} stretch primed for self-assembly is a low-energy conformation of the Ile{sub 5} stretch and rationalizing its high propensity for self-assembly. The ability of the PSAM to 'solubilize' an otherwise insoluble peptide stretch suggests the potential of the PSAM approach to the characterization of self-assembling peptides.

  5. Quasi-discrete particle motion in an externally imposed, ordered structure in a dusty plasma at high magnetic field

    SciTech Connect (OSTI)

    Thomas, Edward Konopka, Uwe; Lynch, Brian; Adams, Stephen; LeBlanc, Spencer; Merlino, Robert L.; Rosenberg, Marlene

    2015-11-15

    Dusty plasmas have been studied in argon, radio frequency (rf) glow discharge plasmas at magnetic fields up to 2.5 T where the electrons and ions are strongly magnetized. Plasmas are generated between two parallel plate electrodes where the lower, powered electrode is solid and the upper electrode supports a dual mesh consisting of #24 brass and #30 aluminum wire cloth. In this experiment, we study the formation of imposed ordered structures and particle dynamics as a function of magnetic field. Through observations of trapped particles and the quasi-discrete (i.e., “hopping”) motion of particles between the trapping locations, it is possible to make a preliminary estimate of the potential structure that confines the particles to a grid structure in the plasma. This information is used to gain insight into the formation of the imposed grid pattern of the dust particles in the plasma.

  6. Effect of Structural Stress on the Laser Quality of Highly Doped Yb:KY(WO4)2/KY(WO4)2 and Yb:KLu(WO4)2/KLu(WO4)2 Epitaxial Structures

    SciTech Connect (OSTI)

    Carvajal, J.; Raghothamachar, B; Silvestre, O; Chen, H; Pujol, M; Petrov, V; Dudley, M; Aguilo, M; Diaz, F

    2009-01-01

    In this communication we demonstrate how the difference in laser performance of two highly doped (20 at %) epitaxial layers of Yb-doped KY(WO4)2 (KYW) grown on a KYW substrate and Yb-doped KLu(WO4)2 (KLuW) grown on a KLuW substrate, respectively, is related to the presence of structural stress in the epilayers, investigated by synchrotron white beam X-ray topography. From the results obtained, it is clear that the samples that show a larger amount of structural stress, Yb:KYW/KYW epitaxies, lead to lower efficiency in laser operation, giving a direct correlation between the existence and magnitude of such structural stress and the loss in efficiency of laser performance in such epitaxial layers which, from a spectroscopical point of view, are otherwise equivalent.

  7. Pressure Effect on the Structural Transition and Suppression of the High-Spin State in the Triple-Layer T'-La₄Ni₃O₈

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

    Cheng, J.-G.; Zhou, J.-S.; Goodenough, J. B.; Zhou, H. D.; Matsubayashi, K.; Uwatoko, Y.; Kong, P. P.; Jin, C. Q.; Yang, W. G.; Shen, G. Y.

    2012-06-08

    We report a comprehensive high-pressure study on the triple-layer T'-La₄Ni₃O₈ with a suite of experimental probes, including structure determination, magnetic, and transport properties up to 50 GPa. Consistent with a recent ab inito calculation, application of hydrostatic pressure suppresses an insulator-metal spin-state transition at Pc≈6 GPa. However, a low-spin metallic phase does not emerge after the high-spin state is suppressed to the lowest temperature. For P>20 GPa, the ambient T' structure transforms gradually to a T†-type structure, which involves a structural reconstruction from fluorite La–O₂–La blocks under low pressures to rock-salt LaO-LaO blocks under high pressures. Absence of the metallicmore » phase under pressure has been discussed in terms of local displacements of O²⁻ ions in the fluorite block under pressure before a global T† phase is established.« less

  8. Pressure Effect on the Structural Transition and Suppression of the High-Spin State in the Triple-Layer T'-La?Ni?O?

    SciTech Connect (OSTI)

    Cheng, J.-G.; Zhou, J.-S.; Goodenough, J. B.; Zhou, H. D.; Matsubayashi, K.; Uwatoko, Y.; Kong, P. P.; Jin, C. Q.; Yang, W. G.; Shen, G. Y.

    2012-06-08

    We report a comprehensive high-pressure study on the triple-layer T'-La?Ni?O? with a suite of experimental probes, including structure determination, magnetic, and transport properties up to 50 GPa. Consistent with a recent ab inito calculation, application of hydrostatic pressure suppresses an insulator-metal spin-state transition at Pc?6 GPa. However, a low-spin metallic phase does not emerge after the high-spin state is suppressed to the lowest temperature. For P>20 GPa, the ambient T' structure transforms gradually to a T-type structure, which involves a structural reconstruction from fluorite LaO?La blocks under low pressures to rock-salt LaO-LaO blocks under high pressures. Absence of the metallic phase under pressure has been discussed in terms of local displacements of O? ions in the fluorite block under pressure before a global T phase is established.

  9. Excitonic transitions in highly efficient (GaIn)As/Ga(AsSb) type-II quantum-well structures

    SciTech Connect (OSTI)

    Gies, S.; Kruska, C.; Berger, C.; Hens, P.; Fuchs, C.; Rosemann, N. W.; Veletas, J.; Stolz, W.; Koch, S. W.; Heimbrodt, W.; Ruiz Perez, A.; Hader, J.; Moloney, J. V.

    2015-11-02

    The excitonic transitions of the type-II (GaIn)As/Ga(AsSb) gain medium of a “W”-laser structure are characterized experimentally by modulation spectroscopy and analyzed using microscopic quantum theory. On the basis of the very good agreement between the measured and calculated photoreflectivity, the type-I or type-II character of the observable excitonic transitions is identified. Whereas the energetically lowest three transitions exhibit type-II character, the subsequent energetically higher transitions possess type-I character with much stronger dipole moments. Despite the type-II character, the quantum-well structure exhibits a bright luminescence.

  10. Structural Materials

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

    Structural Materials Structural Materials Development enables advanced technologies through the discovery, development, and demonstration of cost-effective advanced structural materials for use in extreme environments (high-temperature, high-stress, erosive, and corrosive environments, including the performance of materials in contact with molten slags and salts). Research includes materials design and discovery, materials processing and manufacturing, and service-life prediction of materials

  11. Determination of active doping in highly resistive boron doped silicon nanocrystals embedded in SiO{sub 2} by capacitance voltage measurement on inverted metal oxide semiconductor structure

    SciTech Connect (OSTI)

    Zhang, Tian Puthen-Veettil, Binesh; Wu, Lingfeng; Jia, Xuguang; Lin, Ziyun; Yang, Terry Chien-Jen; Conibeer, Gavin; Perez-Wurfl, Ivan

    2015-10-21

    We investigate the Capacitance-Voltage (CV) measurement to study the electrically active boron doping in Si nanocrystals (ncSi) embedded in SiO{sub 2}. The ncSi thin films with high resistivity (200–400 Ω cm) can be measured by using an inverted metal oxide semiconductor (MOS) structure (Al/ncSi (B)/SiO{sub 2}/Si). This device structure eliminates the complications from the effects of lateral current flow and the high sheet resistance in standard lateral MOS structures. The characteristic MOS CV curves observed are consistent with the effective p-type doping. The CV modeling method is presented and used to evaluate the electrically active doping concentration. We find that the highly boron doped ncSi films have electrically active doping of 10{sup 18}–10{sup 19 }cm{sup −3} despite their high resistivity. The saturation of doping at about 1.4 × 10{sup 19 }cm{sup −3} and the low doping efficiency less than 5% are observed and discussed. The calculated effective mobility is in the order of 10{sup −3} cm{sup 2}/V s, indicating strong impurity/defect scattering effect that hinders carriers transport.

  12. A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution

    SciTech Connect (OSTI)

    Pallan, Pradeep S.; Prakash, Thazha P.; Li, Feng; Eoff, Robert L.; Manoharan, Muthiah; Egli, Martin

    2009-06-17

    Crystal structures of A-form and B-form DNA duplexes containing 2'-S-methyl-uridines reveal that the modified residues adopt a RNA-like C3'-endo pucker, illustrating that the replacement of electronegative oxygen at the 2'-carbon of RNA by sulfur does not appear to fundamentally alter the conformational preference of the sugar in the oligonucleotide context and sterics trump stereoelectronics.

  13. Synthesis of highly efficient antibacterial agent Ag doped ZnO nanorods: Structural, Raman and optical properties

    SciTech Connect (OSTI)

    Jan, Tariq; Iqbal, Javed; Ismail, Muhammad; Mahmood, Arshad

    2014-04-21

    Here, synthesis, structural, morphological, Raman, optical properties and antibacterial activity of undoped and Ag doped ZnO nanorods by chemical co-precipitation technique have been reported. Structural analysis has revealed that Ag doping cannot deteriorate the structure of ZnO and wurtzite phase is maintained. Lattice constants are found to be decreased with the Ag doping. Fourier transform infrared and Raman spectroscopy also confirm the X-ray diffraction results. Scanning electron microscopy results have demonstrated the formation of ZnO nanorods with average diameter and length of 96 nm and 700 nm, respectively. Raman spectroscopy results suggest that the Ag doping enhances the number of defects in ZnO crystal. It has been found from optical study that Ag doping results in positional shift of band edge absorption peak. This is attributed to the successful incorporation of Ag dopant into ZnO host matrix. The antibacterial activity of prepared nanorods has been determined by two different methods and compared to that of undoped ZnO nanorods. Ag doped ZnO nanorods exhibit excellent antibacterial activity as compared to that of undoped ZnO nanorods. This excellent antibacterial activity may be attributed to the presence of oxygen vacancies and Zn{sup 2+} interstitial defects. Our preliminary findings suggest that Ag doped ZnO nanorods can be used externally to control the spreading of infections related with tested bacterial strains.

  14. Mechanical qualification of the support structure for MQXF, the Nb3Sn low-β quadrupole for the high luminosity LHC

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

    Juchno, M.; Ambrosio, G.; Anerella, M.; Bajas, H.; Bajko, M.; Bourcey, N.; Cheng, D. W.; Felice, H.; Ferracin, P.; Grosclaude, P.; et al

    2016-01-26

    Within the scope of the High Luminosity LHC project, the collaboration between CERN and U.S. LARP is developing new low-β quadrupoles using the Nb3Sn superconducting technology for the upgrade of the LHC interaction regions. The magnet support structure of the first short model was designed and two units were fabricated and tested at CERN and at LBNL. The structure provides the preload to the collars-coils subassembly by an arrangement of outer aluminum shells pre-tensioned with water-pressurized bladders. For the mechanical qualification of the structure and the assembly procedure, superconducting coils were replaced with solid aluminum “dummy coils”, the structure wasmore » preloaded at room temperature, and then cooled-down to 77 K. Mechanical behavior of the magnet structure was monitored with the use of strain gauges installed on the aluminum shells, the dummy coils and the axial preload system. As a result, this paper reports on the outcome of the assembly and the cool-down tests with dummy coils, which were performed at CERN and at LBNL, and presents the strain gauge measurements compared to the 3D finite element model predictions.« less

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

    SciTech Connect (OSTI)

    Martin, V.; Egido, J.L.

    1995-06-01

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

  16. Theoretical calculations for structural, elastic, and thermodynamic properties of RuN{sub 2} under high pressure

    SciTech Connect (OSTI)

    Dong, Bing; Zhou, Xiao-Lin E-mail: lkworld@126.com; Chang, Jing; Liu, Ke E-mail: lkworld@126.com

    2014-08-07

    The structural and elastic properties of RuN{sub 2} were investigated through the first-principles calculation using generalized gradient approximation (GGA) and local density approximation (LDA) within the plane-wave pseudopotential density functional theory. The obtained equilibrium structure and mechanical properties are in excellent agreement with other theoretical results. Then we compared the elastic modulus of RuN{sub 2} with several other isomorphic noble metal nitrides. Results show that RuN{sub 2} can nearly rival with OsN{sub 2} and IrN{sub 2}, which indicate RuN{sub 2} is a potentially ultra-incompressible and hard material. By the elastic stability criteria, it is predicted that RuN{sub 2} is stable in our calculations (0–100 GPa). The calculated B/G ratios indicate that RuN{sub 2} possesses brittle nature at 0 GPa and when the pressure increases to 13.4 GPa (for LDA) or 20.8 GPa (for GGA), it begins to prone to ductility. Through the quasi-harmonic Debye model, we also investigated the thermodynamic properties of RuN{sub 2}.

  17. Towards intelligent microstructural design of Nanocomposite Materials. Lightweight, high strength structural/armor materials for service in extreme environments

    SciTech Connect (OSTI)

    Mara, Nathan Allan; Bronkhorst, Curt Allan; Beyerlein, Irene Jane

    2015-12-21

    The intent of this research effort is to prove the hypothesis that: Through the employment of controlled processing parameters which are based upon integrated advanced material characterization and multi-physics material modeling, bulk nanolayered composites can be designed to contain high densities of preferred interfaces that can serve as supersinks for the defects responsible for premature damage and failure.

  18. The Ultimate Structure of Matter: The High Energy Physics Program from the 1950s through the 1980s

    DOE R&D Accomplishments [OSTI]

    1990-02-01

    This discusses the following topics in High Energy Physics: The Particle Zoo; The Strong and the Weak; The Particle Explosion; Deep Inside the Nucleon; The Search for Unity; Physics in Collision; The Standard Model; Particles and the Cosmos; and Practical Benefits.

  19. Mesoporous Silicon Sponge as an Anti-Pulverization Structure for High-Performance Lithium-ion Battery Anodes

    SciTech Connect (OSTI)

    Li, Xiaolin; Gu, Meng; Hu, Shenyang Y.; Kennard, Rhiannon; Yan, Pengfei; Chen, Xilin; Wang, Chong M.; Sailor, Michael J.; Zhang, Jiguang; Liu, Jun

    2014-07-08

    Nanostructured silicon is a promising anode material for high performance lithium-ion batteries, yet scalable synthesis of such materials, and retaining good cycling stability in high loading electrode remain significant challenges. Here, we combine in-situ transmission electron microscopy and continuum media mechanical calculations to demonstrate that large (>20 micron) mesoporous silicon sponge (MSS) prepared by the scalable anodization method can eliminate the pulverization of the conventional bulk silicon and limit particle volume expansion at full lithiation to ~30% instead of ~300% as observed in bulk silicon particles. The MSS can deliver a capacity of ~750 mAh/g based on the total electrode weight with >80% capacity retention over 1000 cycles. The first-cycle irreversible capacity loss of pre-lithiated MSS based anode is only <5%. The insight obtained from MSS also provides guidance for the design of other materials that may experience large volume variation during operations.

  20. High-resolution neutron diffraction study of CuNCN: New evidence of structure anomalies at low temperature

    SciTech Connect (OSTI)

    Jacobs, Philipp; Houben, Andreas; Dronskowski, Richard; Tchougreff, Andrei L.; Lomonosov Moscow State University, Department of Chemistry and Poncelet Laboratory of Mathematics in Interaction with Physics and Informatics, Independent University of Moscow, Moscow Center for Continuous Mathematical Education, Bolshoi Vlasevsky Per. 11, 119002 Moscow

    2013-12-14

    Copper carbodiimide (CuNCN) is the nitrogen-containing analogue of cupric oxide. Based on high-resolution neutron-diffraction data, CuNCN's lattice parameters are derived as a function of the temperature. In accordance with a recent synchrotron study, a clear trend in the cell parameter a is observed accompanying the changing magnetic behavior. With decreasing temperature, a slowly decreases to a minimum at ?100 K after which it rises again. The same trendalbeit more pronouncedis observed for the c lattice parameter at ?35 K. The herein presented neutron powder-diffraction data also support the conjectured sequence of transitions from the high-temperature one-dimensional resonating valence-bond (RVB) state to a transient two-dimensional RVB state and eventually, at lowest temperatures, into another two-dimensional RVB state, presumably the ground state.

  1. Structure and transport in high pressure oxygen sputter-deposited BaSnO{sub 3−δ}

    SciTech Connect (OSTI)

    Ganguly, Koustav; Ambwani, Palak; Xu, Peng; Jeong, Jong Seok; Mkhoyan, K. Andre; Leighton, C. E-mail: leighton@umn.edu; Jalan, Bharat E-mail: leighton@umn.edu

    2015-06-01

    BaSnO{sub 3} has recently been identified as a high mobility wide gap semiconductor with significant potential for room temperature oxide electronics. Here, a detailed study of the high pressure oxygen sputter-deposition, microstructure, morphology, and stoichiometry of epitaxial BaSnO{sub 3} on SrTiO{sub 3}(001) and MgO(001) is reported, optimized conditions resulting in single-phase, relaxed, close to stoichiometric films. Most significantly, vacuum annealing is established as a facile route to n-doped BaSnO{sub 3−δ}, leading to electron densities above 10{sup 19} cm{sup −3}, 5 mΩ cm resistivities, and room temperature mobility of 20 cm{sup 2} V{sup −1} s{sup −1} in 300-Å-thick films on MgO(001). Mobility limiting factors, and the substantial scope for their improvement, are discussed.

  2. Three-dimensional hollow-structured binary oxide particles as an advanced anode material for high-rate and long cycle life lithium-ion batteries

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

    Wang, Deli; Wang, Jie; He, Huan; Han, Lili; Lin, Ruoqian; Xin, Huolin L.; Wu, Zexing; Liu, Hongfang

    2015-12-30

    Transition metal oxides are among the most promising anode candidates for next-generation lithium-ion batteries for their high theoretical capacity. However, the large volume expansion and low lithium ion diffusivity leading to a poor charging/discharging performance. In this study, we developed a surfactant and template-free strategy for the synthesis of a composite of CoxFe3–xO4 hollow spheres supported by carbon nanotubes via an impregnation–reduction–oxidation process. The synergy of the composite, as well as the hollow structures in the electrode materials, not only facilitate Li ion and electron transport, but also accommodate large volume expansion. Using state-of-the-art electron tomography, we directly visualize themore » particles in 3-D, where the voids in the hollow structures serve to buffer the volume expansion of the material. These improvements result in a high reversible capacity as well as an outstanding rate performance for lithium-ion battery applications. As a result, this study sheds light on large-scale production of hollow structured metal oxides for commercial applications in energy storage and conversion.« less

  3. Three-dimensional hollow-structured binary oxide particles as an advanced anode material for high-rate and long cycle life lithium-ion batteries

    SciTech Connect (OSTI)

    Wang, Deli; Wang, Jie; He, Huan; Han, Lili; Lin, Ruoqian; Xin, Huolin L.; Wu, Zexing; Liu, Hongfang

    2015-12-30

    Transition metal oxides are among the most promising anode candidates for next-generation lithium-ion batteries for their high theoretical capacity. However, the large volume expansion and low lithium ion diffusivity leading to a poor charging/discharging performance. In this study, we developed a surfactant and template-free strategy for the synthesis of a composite of CoxFe3–xO4 hollow spheres supported by carbon nanotubes via an impregnation–reduction–oxidation process. The synergy of the composite, as well as the hollow structures in the electrode materials, not only facilitate Li ion and electron transport, but also accommodate large volume expansion. Using state-of-the-art electron tomography, we directly visualize the particles in 3-D, where the voids in the hollow structures serve to buffer the volume expansion of the material. These improvements result in a high reversible capacity as well as an outstanding rate performance for lithium-ion battery applications. As a result, this study sheds light on large-scale production of hollow structured metal oxides for commercial applications in energy storage and conversion.

  4. Ultra-high-performance core–shell structured Ru@Pt/C catalyst prepared by a facile pulse electrochemical deposition method

    SciTech Connect (OSTI)

    Chen, Dan; Li, Yuexia; Liao, Shijun; Su, Dong; Song, Huiyu; Li, Yingwei; Yang, Lijun; Li, Can

    2015-08-03

    Core–shell structured catalysts, made by placing either a monolayer or a thin layer of a noble metal on relatively cheap core-metal nanoparticles, are fascinating and promising fuel cell catalysts due to their high utilization of noble metals. Here, we report our development of a core–shell structured catalyst, Ru@Pt/C, generated by a novel and facile pulse electrochemical deposition (PED) approach. We demonstrate that compared with a commercial Pt/C catalyst, this novel catalyst achieves over four times higher mass activity towards the anodic oxidation of methanol, and 3.6 times higher mass activity towards the cathodic reduction of oxygen. Importantly, we find that the intrinsic activity of Pt in this Ru@Pt/C catalyst is doubled due to the formation of the core–shell structure. The catalyst also shows superior stability: even after 2000 scans, it still retains up to 90% of the peak current. As a result, our findings demonstrate that this novel PED approach is a promising method for preparing high-performance core–shell catalysts for fuel cell applications.

  5. Ultra-high-performance core–shell structured Ru@Pt/C catalyst prepared by a facile pulse electrochemical deposition method

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

    Chen, Dan; Li, Yuexia; Liao, Shijun; Su, Dong; Song, Huiyu; Li, Yingwei; Yang, Lijun; Li, Can

    2015-08-03

    Core–shell structured catalysts, made by placing either a monolayer or a thin layer of a noble metal on relatively cheap core-metal nanoparticles, are fascinating and promising fuel cell catalysts due to their high utilization of noble metals. Here, we report our development of a core–shell structured catalyst, Ru@Pt/C, generated by a novel and facile pulse electrochemical deposition (PED) approach. We demonstrate that compared with a commercial Pt/C catalyst, this novel catalyst achieves over four times higher mass activity towards the anodic oxidation of methanol, and 3.6 times higher mass activity towards the cathodic reduction of oxygen. Importantly, we find thatmore » the intrinsic activity of Pt in this Ru@Pt/C catalyst is doubled due to the formation of the core–shell structure. The catalyst also shows superior stability: even after 2000 scans, it still retains up to 90% of the peak current. As a result, our findings demonstrate that this novel PED approach is a promising method for preparing high-performance core–shell catalysts for fuel cell applications.« less

  6. Structure tracking aided design and synthesis of Li3V2(PO4)3 nanocrystals as high-power cathodes for lithium ion batteries

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

    Wang, Liping; Bai, Jianming; Gao, Peng; Wang, Xiaoya; Looney, J. Patrick; Wang, Feng

    2015-07-30

    In this study, preparing new electrode materials with synthetic control of phases and electrochemical properties is desirable for battery applications but hardly achievable without knowing how the synthesis reaction proceeds. Herein, we report on structure tracking-aided design and synthesis of single-crystalline Li3V2(PO4)3 (LVP) nanoparticles with extremely high rate capability. A comprehensive investigation was made to the local structural orderings of the involved phases and their evolution toward forming LVP phase using in situ/ex situ synchrotron X-ray and electron-beam diffraction, spectroscopy, and imaging techniques. The results shed light on the thermodynamics and kinetics of synthesis reactions and enabled the design ofmore » a cost-efficient synthesis protocol to make nanocrystalline LVP, wherein solvothermal treatment is a crucial step leading to an amorphous intermediate with local structural ordering resembling that of LVP, which, upon calcination at moderate temperatures, rapidly transforms into the desired LVP phase. The obtained LVP particles are about 50 nm, coated with a thin layer of amorphous carbon and featured with excellent cycling stability and rate capability – 95% capacity retention after 200 cycles and 66% theoretical capacity even at a current rate of 10 C. The structure tracking based method we developed in this work offers a new way of designing battery electrodes with synthetic control of material phases and properties.« less

  7. Self-assembly of 2D sandwich-structured MnFe{sub 2}O{sub 4}/graphene composites for high-performance lithium storage

    SciTech Connect (OSTI)

    Li, Songmei Wang, Bo; Li, Bin; Liu, Jianhua; Yu, Mei; Wu, Xiaoyu

    2015-01-15

    Highlights: • MFO/GN composites were synthesized by a facile in situ solvothermal approach. • The MFO microspheres are sandwiched between the graphene layers. • Each MFO microsphere is an interstitial cluster of nanoparticles. • The MFO/GN electrode exhibits an enhanced cyclability for Li-ion batteries anodes. - Abstract: In this study, two-dimensional (2D) sandwich-structured MnFe{sub 2}O{sub 4}/graphene (MFO/GN) composites are synthesized by a facile in situ solvothermal approach, using cetyltrimethylammonium bromide (CTAB) as cationic surfactant. As a consequence, the nanocomposites of MFO/GN self-assembled into a 2D sandwich structure, in which the interstitial cluster structure of microsphere-type MnFe{sub 2}O{sub 4} is sandwiched between the graphene layers. This special structure of the MFO/GN composites used as anodes for lithium-ion batteries will be favorable for the maximum accessible surface of electroactive materials, fast diffusion of lithium ions and migration of electron, and elastomeric space to accommodate volume changes during the discharge–charge processes. The as-synthesized MFO/GN composites deliver a high specific reversible capacity of 987.95 mA h g{sup −1} at a current density of 200 mA g{sup −1}, a good capacity retention of 69.27% after 80 cycles and excellent rate performance for lithium storage.

  8. Reflection High-Energy Electron Diffraction Beam-Induced Structural and Property Changes on WO3 Thin Films

    SciTech Connect (OSTI)

    Du, Yingge; Zhang, Hongliang; Varga, Tamas; Chambers, Scott A.

    2014-08-08

    Reduction of transition metal oxides can greatly change their physical and chemical properties. Using deposition of WO3 as a case study, we demonstrate that reflection high-energy electron diffraction (RHEED), a surface-sensitive tool widely used to monitor thin-film deposition processes, can significantly affect the cation valence and physical properties of the films through electron-beam induced sample reduction. The RHEED beam is found to increase film smoothness during epitaxial growth of WO3, as well as change the electronic properties of the film through preferential removal of surface oxygen.

  9. Reflection high-energy electron diffraction beam-induced structural and property changes on WO{sub 3} thin films

    SciTech Connect (OSTI)

    Du, Y. Varga, T.; Zhang, K. H. L.; Chambers, S. A.

    2014-08-04

    Reduction of transition metal oxides can greatly change their physical and chemical properties. Using deposition of WO{sub 3} as a case study, we demonstrate that reflection high-energy electron diffraction (RHEED), a surface-sensitive tool widely used to monitor thin-film deposition processes, can significantly affect the cation valence and physical properties of the films through electron-beam induced sample reduction. The RHEED beam is found to increase film smoothness during epitaxial growth of WO{sub 3}, as well as change the electronic properties of the film through preferential removal of surface oxygen.

  10. Spectroscopic study on deuterated benzenes. II. High-resolution laser spectroscopy and rotational structure in the S{sub 1} state

    SciTech Connect (OSTI)

    Kunishige, Sachi; Katori, Toshiharu; Baba, Masaaki; Hayashi, Masato; Hasegawa, Hirokazu; Ohshima, Yasuhiro

    2015-12-28

    High-resolution spectra of the S{sub 1}←S{sub 0} transition in jet-cooled deuterated benzenes were observed using pulse dye amplification of single-mode laser light and mass-selective resonance enhanced multiphoton ionization (REMPI) detection. The vibrational and rotational structures were accurately analyzed for the vibronic levels in the S{sub 1} state. The degenerate 6{sup 1} levels of C{sub 6}H{sub 6} or C{sub 6}D{sub 6} are split into 6a{sup 1} and 6b{sup 1} in many of deuterated benzenes. The rigid-rotor rotational constants were assessed and found to be slightly different between 6a and 6b because of different mean molecular structures. Their rotational levels are significantly shifted by Coriolis interactions. It was found that the Coriolis parameter proportionally changed with the number of substituted D atoms.

  11. Improvement of magnetic and structural stabilities in high-quality Co{sub 2}FeSi{sub 1−x}Al{sub x}/Si heterointerfaces

    SciTech Connect (OSTI)

    Yamada, S.; Tanikawa, K.; Oki, S.; Kawano, M.; Miyao, M.; Hamaya, K.

    2014-08-18

    We study high-quality Co{sub 2}FeSi{sub 1−x}Al{sub x} Heusler compound/Si (0 ≤ x ≤ 1) heterointerfaces for silicon (Si)-based spintronic applications. In thermal treatment conditions, the magnetic and structural stabilities of the Co{sub 2}FeSi{sub 1−x}Al{sub x}/Si heterointerfaces are improved with increasing x in Co{sub 2}FeSi{sub 1−x}Al{sub x}. Compared with L2{sub 1}-ordered Co{sub 2}FeSi/Si, B2-ordered Co{sub 2}FeAl/Si can suppress the diffusion of Si atoms into the Heusler-compound structure. This experimental study will provide an important knowledge for applications in Si-based spin transistors with metallic source/drain contacts.

  12. Photoautotrophic symbiont and geography are major factors affecting highly structured and diverse bacterial communities in the lichen microbiome

    SciTech Connect (OSTI)

    Hodkinson, Brendan P; Gottel, Neil R; Schadt, Christopher Warren; Lutzoni, Francois

    2011-01-01

    Although common knowledge dictates that the lichen thallus is formed solely by a fungus (mycobiont) that develops a symbiotic relationship with an alga and/or cyanobacterium (photobiont), the non-photoautotrophic bacteria found in lichen microbiomes are increasingly regarded as integral components of lichen thalli. For this study, comparative analyses were conducted on lichen-associated bacterial communities to test for effects of photobiont-types (i.e. green algal vs. cyanobacterial), mycobiont-types and large-scale spatial distances (from tropical to arctic latitudes). Amplicons of the 16S (SSU) rRNA gene were examined using both Sanger sequencing of cloned fragments and barcoded pyrosequencing. Rhizobiales is typically the most abundant and taxonomically diverse order in lichen microbiomes; however, overall bacterial diversity in lichens is shown to be much higher than previously reported. Members of Acidobacteriaceae, Acetobacteraceae, Brucellaceae and sequence group LAR1 are the most commonly found groups across the phylogenetically and geographically broad array of lichens examined here. Major bacterial community trends are significantly correlated with differences in large-scale geography, photobiont-type and mycobiont-type. The lichen as a microcosm represents a structured, unique microbial habitat with greater ecological complexity and bacterial diversity than previously appreciated and can serve as a model system for studying larger ecological and evolutionary principles.

  13. Time-Resolved Structural Characterization of Formation and Break-up of Rhodium Clusters Supported in Highly Dealuminated Y Zeolite

    SciTech Connect (OSTI)

    Liang, Ann J.; Gates, Bruce C.

    2009-06-12

    Mononuclear rhodium complexes incorporating two ethylene ligands and anchored to dealuminated zeolite Y by two Rh-O bonds were characterized by transient extended X-ray absorption fine structure (EXAFS) spectroscopy and infrared (IR) spectroscopy as they were converted in the presence of H{sub 2}. EXAFS spectra indicate reduction of the rhodium in the complex at 298 K to form rhodium clusters less than 3 {angstrom} in average diameter. Contacting of the resultant clusters with C{sub 2}H{sub 4} led to their oxidative fragmentation, and the process was reversible. When the H{sub 2} treatment was carried out at a higher temperature (373 K), larger clusters formed. The reduction and oxidation of the rhodium were confirmed by X-ray absorption near edge spectra. During the ethylene treatments, ethyl groups formed on the rhodium, as indicated by IR spectra; treatment in H{sub 2} led to hydrogenation of these groups to form ethane, and the ethyl groups are inferred to be intermediates in the catalytic hydrogenation of ethylene. Ethylene in the gas phase helps to stabilize rhodium in the form of mononuclear complexes on the zeolite during catalysis, hindering the cluster formation.

  14. Inorganic/organic nanocomposites: Reaching a high filler content without increasing viscosity using core-shell structured nanoparticles

    SciTech Connect (OSTI)

    Benhadjala, W.; Gravoueille, M.; Weiss, M.; Bord-Majek, I.; Béchou, L.; Ousten, Y.; Suhir, E.; Buet, M.; Louarn, M.; Rougé, F.; Gaud, V.

    2015-11-23

    Extensive research is being conducted on the development of inorganic/organic nanocomposites for a wide variety of applications in microelectronics, biotechnologies, photonics, adhesives, or optical coatings. High filler contents are usually required to fully optimize the nanocomposites properties. However, numerous studies demonstrated that traditional composite viscosity increases with increasing the filler concentration reducing therefore significantly the material processability. In this work, we synthesized inorganic/organic core-shell nanocomposites with different shell thicknesses. By reducing the shell thickness while maintaining a constant core size, the nanoparticle molecular mass decreases but the nanocomposite filler fraction is correlatively increased. We performed viscosity measurements, which clearly highlighted that intrinsic viscosity of hybrid nanoparticles decreases as the molecular mass decreases, and thus, as the filler fraction increases, as opposed to Einstein predictions about the viscosity of traditional inorganic/polymer two-phase mixtures. This exceptional behavior, modeled by Mark-Houwink-Sakurada equation, proves to be a significant breakthrough for the development of industrializable nanocomposites with high filler contents.

  15. GeoChip 3.0 as a high-thoughput tool for analyzing microbial community composition, structure, and functional activity

    SciTech Connect (OSTI)

    He, Z.; Deng, Y.; Van Nostrand, J.D.; Tu, Q.; Xu, M.; Hemme, C.L.; Li, X.; Wu, L.; Gentry, T.J.; Yin, Y.; Liebich, J.; Hazen, T.C.; Zhou, J.

    2010-04-01

    A new generation of functional gene arrays (FGAs; GeoChip 3.0) has been developed, with {approx}28,000 probes covering approximately 57,000 gene variants from 292 functional gene families involved in carbon, nitrogen, phosphorus and sulfur cycles, energy metabolism, antibiotic resistance, metal resistance and organic contaminant degradation. GeoChip 3.0 also has several other distinct features, such as a common oligo reference standard (CORS) for data normalization and comparison, a software package for data management and future updating and the gyrB gene for phylogenetic analysis. Computational evaluation of probe specificity indicated that all designed probes would have a high specificity to their corresponding targets. Experimental analysis with synthesized oligonucleotides and genomic DNAs showed that only 0.0036-0.025% false-positive rates were observed, suggesting that the designed probes are highly specific under the experimental conditions examined. In addition, GeoChip 3.0 was applied to analyze soil microbial communities in a multifactor grassland ecosystem in Minnesota, USA, which showed that the structure, composition and potential activity of soil microbial communities significantly changed with the plant species diversity. As expected, GeoChip 3.0 is a high-throughput powerful tool for studying microbial community functional structure, and linking microbial communities to ecosystem processes and functioning.

  16. Utilizing environmental friendly iron as a substitution element in spinel structured cathode materials for safer high energy lithium-ion batteries

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

    Hu, Enyuan; Bak, Seong -Min; Liu, Yijin; Liu, Jue; Yu, Xiqian; Zhou, Yong -Ning; Zhou, Jigang; Khalifah, Peter; Ariyoshi, Kingo; Nam, Kyung -Wan; et al

    2015-12-03

    Suppressing oxygen release from lithium ion battery cathodes during heating is a critical issue for the improvement of the battery safety characteristics because oxygen can exothermically react with the flammable electrolyte and cause thermal runaway. Previous studies have shown that oxygen release can be reduced by the migration of transition metal cations from octahedral sites to tetrahedral sites during heating. Such site-preferred migration is determined by the electronic structure of cations. In addition, taking advantage of the unique electronic structure of the environmental friendly Fe, this is selected as substitution element in a high energy density material LiNi0.5Mn1.5O4 to improvemore » the thermal stability. The optimized LiNi0.33Mn1.33Fe0.33O4 material shows significantly improved thermal stability compared with the unsubstituted one, demonstrated by no observed oxygen release at temperatures as high as 500°C. Due to the electrochemical contribution of Fe, the high energy density feature of LiNi0.5Mn1.5O4 is well preserved.« less

  17. Utilizing environmental friendly iron as a substitution element in spinel structured cathode materials for safer high energy lithium-ion batteries

    SciTech Connect (OSTI)

    Hu, Enyuan; Bak, Seong -Min; Liu, Yijin; Liu, Jue; Yu, Xiqian; Zhou, Yong -Ning; Zhou, Jigang; Khalifah, Peter; Ariyoshi, Kingo; Nam, Kyung -Wan; Yang, Xiao -Qing

    2015-12-03

    Suppressing oxygen release from lithium ion battery cathodes during heating is a critical issue for the improvement of the battery safety characteristics because oxygen can exothermically react with the flammable electrolyte and cause thermal runaway. Previous studies have shown that oxygen release can be reduced by the migration of transition metal cations from octahedral sites to tetrahedral sites during heating. Such site-preferred migration is determined by the electronic structure of cations. In addition, taking advantage of the unique electronic structure of the environmental friendly Fe, this is selected as substitution element in a high energy density material LiNi0.5Mn1.5O4 to improve the thermal stability. The optimized LiNi0.33Mn1.33Fe0.33O4 material shows significantly improved thermal stability compared with the unsubstituted one, demonstrated by no observed oxygen release at temperatures as high as 500°C. Due to the electrochemical contribution of Fe, the high energy density feature of LiNi0.5Mn1.5O4 is well preserved.

  18. Dynamic response of Cu4Zr54 metallic glass to high strain rate shock loading: plasticity, spall and atomic-level structures

    SciTech Connect (OSTI)

    Luo, Shengnian; Arman, Bedri; Germann, Timothy C; Cagin, Tahir

    2009-01-01

    We investigate dynamic response of Cu{sub 46}Zr{sub 54} metallic glass under adiabatic planar shock wave loading (one-dimensional strain) wjth molecular dynamics simulations, including Hugoniot (shock) states, shock-induced plasticity and spallation. The Hugoniot states are obtained up to 60 CPa along with the von Mises shear flow strengths, and the dynamic spall strength, at different strain rates and temperatures. The spall strengths likely represent the limiting values achievable in experiments such as laser ablation. For the steady shock states, a clear elastic-plastic transition is identified (e.g., in the shock velocity-particle velocity curve), and the shear strength shows strain-softening. However, the elastic-plastic transition across the shock front displays transient stress overshoot (hardening) above the Hugoniot elastic limit followed by a relatively sluggish relaxation to the steady shock state, and the plastic shock front steepens with increasing shock strength. The local von Mises shear strain analysis is used to characterize local deformation, and the Voronoi tessellation analysis, the corresponding short-range structures at various stages of shock, release, tension and spallation. The plasticity in this glass is manifested as localized shear transformation zones and of local structure rather than thermal origin, and void nucleation occurs preferentially at the highly shear-deformed regions. The Voronoi and shear strain analyses show that the atoms with different local structures are of different shear resistances that lead to shear localization (e.g., the atoms indexed with (0,0,12,0) are most shear-resistant, and those with (0,2,8,1) are highly prone to shear flow). The dynamic changes in local structures are consistent with the observed deformation dynamics.

  19. Experimentally characterizing the electronic structures of f-electron systems using advanced high resolution Fourier transform microwave spectroscopies

    SciTech Connect (OSTI)

    Cooke, Stephen, A

    2013-02-03

    We aim to (i) provide data that directly addresses the fundamental roles of actinide valence electrons in chemical bonding, and (ii) serve to provide prototypical data for the heavy element computational chemistry community. These goals will be achieved through the first pure rotational spectroscopic measurements on prototypical systems at ultra-high resolution. These systems encompass low oxidation state uranium and thorium compounds including, but not limited to, UX and ThX, X = F, Cl, Br, I, and UY and ThY, Y = O, S, and other simple U and Th-containing compounds. Our primary experimental tools involve time-domain rotational spectroscopy achieving line widths and resolutions of a few kHz.

  20. Nano-structure multilayer technology fabrication of high energy density capacitors for the power electronic building book

    SciTech Connect (OSTI)

    Barbee, T.W.; Johnson, G.W.; Wagner, A.V.

    1997-10-21

    Commercially available capacitors do not meet the specifications of the Power Electronic Building Block (PEBB) concept. We have applied our propriety nanostructure multilayer materials technology to the fabrication of high density capacitors designed to remove this impediment to PEBB progress. Our nanostructure multilayer capacitors will also be enabling technology in many industrial and military applications. Examples include transient suppression (snubber capacitors), resonant circuits, and DC filtering in PEBB modules. Additionally, weapon applications require compact energy storage for detonators and pulsed-power systems. Commercial applications run the gamut from computers to lighting to communications. Steady progress over the last five years has brought us to the threshold of commercial manufacturability. We have demonstrated a working dielectric energy density of > 11 J/cm3 in 20 nF devices designed for 1 kV operation.

  1. A novel apparatus for in situ compression of submicron structures and particles in a high resolution SEM

    SciTech Connect (OSTI)

    Romeis, S.; Paul, J.; Ziener, M.; Peukert, W.

    2012-09-15

    We report on the development and characterization of a novel in situ manipulation device to perform stressing experiments on the submicron scale inside a high resolution field emission scanning electron microscope. The instrument comprises two main assembly groups: an upper part for positioning and moving a mounted probe and a force sensor as well as a specimen support as lower part. The upper part consists of a closed loop tripod piezoelectric scanner mounted on a self-locking coarse positioning stage. Two interlocked steel springs and a linear variable differential transformer measuring the springs' deflections compose the lower part of the instrument. This arrangement acts as force-sensor and sample support. In comparison to already well-established concepts a wide measuring range is covered by adjusting the spring constant between 30 N/m and 50000 N/m. Moreover, the new device offers striking advantages with respect to force calibration and sample deformation measurements. Force calibration is performed using the eigenfrequency of the force detection system directly inside the SEM. Deformation data are obtained with high accuracy by simultaneously recording displacements above and below the specimen. The detrimental apparatus compliance is determined, and the influence on measured data subsequently minimized: an easy to validate two-springs-in-series model is used for data correction. A force resolution in normal direction of 100 nN accompanied by a sample deformation resolution of 5 nm can be achieved with the instrument using an appropriate load cell stiffness. The capabilities and versatility of this instrument are exemplified by compression experiments performed on submicron amorphous silica particles.

  2. Structure of Low-Lying Excited States of Guanine in DNA and Solution: Combined Molecular Mechanics and High-Level Coupled Cluster Studies

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

    Kowalski, Karol; Valiev, Marat

    2007-01-01

    High-level ab-initio equation-of-motion coupled-cluster methods with singles, doubles, and noniterative triples are used, in conjunction with the combined quantum mechanical molecular mechanics approach, to investigate the structure of low-lying excited states of the guanine base in DNA and solvated environments. Our results indicate that while the excitation energy of the first excited state is barely changed compared to its gas-phase counterpart, the excitation energy of the second excited state is blue-shifted by 0.24 eV.

  3. Correlating High Power Conversion Efficiency of PTB7:PC71BM Inverted Organic Solar Cells to Nanoscale Structure

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

    Das, Sanjib; Keum, Jong Kahk; Browning, Jim; Gu, Gong; Yang, Bin; Do, Changwoo; Chen, Wei; Chen, Jihua; Ivanov, Ilia N; Hong, Kunlun; et al

    2015-07-16

    Advances in materials design and device engineering led to inverted organic solar cells (i-OSCs) with superior power conversion efficiencies (PCEs) to their conventional counterparts, in addition to the well-known better ambient stability. Despite the significant progress, however, it has so far been unclear how the morphologies of the photoactive layer and its interface with the cathode modifying layer impact device performance. Here, we report an in-depth morphology study of the i-OSC active and cathode modifying layers, employing a model system with the well-established bulk-heterojunction, PTB7:PC71BM as the active layer and poly-[(9,9-bis(3 -(N,N-dimethylamino)propyl)-2,7-fluorene)-alt-2,7-(9,9-dioctylfluorene)] (PFN) as the cathode surface modifying layer. Wemorehave also identified the role of a processing additive, 1,8-diiodooctane (DIO), used in the spin-casting of the active layer to increase PCE. Using a variety of characterization techniques, we demonstrate that the high PCEs of i-OSCs are due to the smearing (diffusion) of electron-accepting PC71BM into the PFN layer, resulting in improved electron transport. The PC71BM diffusion occurs after spin-casting the active layer onto the PFN layer, when residual solvent molecules act as a plasticizer. The DIO additive, with a higher boiling point than the host solvent, has a longer residence time in the spin-cast active layer, resulting in more PC71BM smearing and therefore more efficient electron transport. This work provides important insight and guidance to further enhancement of i-OSC performance by materials and interface engineering.less

  4. Correlating High Power Conversion Efficiency of PTB7:PC71BM Inverted Organic Solar Cells with Nanoscale Structures

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

    Das, Sanjib; Keum, Jong Kahk; Browning, Jim; Gu, Gong; Yang, Bin; Do, Changwoo; Chen, Wei; Chen, Jihua; Ivanov, Ilia N; Hong, Kunlun; et al

    2015-01-01

    Advances in materials design and device engineering led to inverted organic solar cells (i-OSCs) with superior power conversion efficiencies (PCEs) to their conventional counterparts, in addition to the well-known better ambient stability. Despite the significant progress, however, it has so far been unclear how the morphologies of the photoactive layer and its interface with the cathode modifying layer impact device performance. Here, we report an in-depth morphology study of the i-OSC active and cathode modifying layers, employing a model system with the well-established bulk-heterojunction, PTB7:PC71BM as the active layer and poly-[(9,9-bis(3 -(N,N-dimethylamino)propyl)-2,7-fluorene)-alt-2,7-(9,9-dioctylfluorene)] (PFN) as the cathode surface modifying layer. Wemore » have also identified the role of a processing additive, 1,8-diiodooctane (DIO), used in the spin-casting of the active layer to increase PCE. Using a variety of characterization techniques, we demonstrate that the high PCEs of i-OSCs are due to the smearing (diffusion) of electron-accepting PC71BM into the PFN layer, resulting in improved electron transport. The PC71BM diffusion occurs after spin-casting the active layer onto the PFN layer, when residual solvent molecules act as a plasticizer. The DIO additive, with a higher boiling point than the host solvent, has a longer residence time in the spin-cast active layer, resulting in more PC71BM smearing and therefore more efficient electron transport. This work provides important insight and guidance to further enhancement of i-OSC performance by materials and interface engineering.« less

  5. Structure Functions in Deep Inelastic Lepton Scattering: Data from DOE laboratory experiments as compiled in data reviews by the Durham High Energy Physics Database Group

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

    Gehrmann, T; Roberts, R. G.; Whalley, M. R.; Durham HEP Database Group

    Gehrmann, Roberts, and Whalley in their 1999 paper, A Compilation of Structure Functions in Deep Inelastic Scattering, published in volume 25 of Journal of Physics G (Nuclear and Particle Physics) note that these data will continue to be relevant to the next generation of hadron colliders. They present data on the unpolarized structure functions F2 and xF3, R D ._L=_T /, the virtual photon asymmetries A1 and A2 and the polarized structure functions g1 and g2, from deep inelastic lepton scattering off protons, deuterium and nuclei. Data are presented in both tabular and graphical format and include predictions based on the MRST98 and CTEQ4 parton distribution functionsö as well. The data gathered from the relevant collaborations at DOE's Fermilab, SLAC, and JLAB are available, and so are data from related collaborations based at CERN and DESY. The Durham High Energy Physics (HEP) Database Group makes these data, extracted from papers and data reviews, available in one place in an easy-to-access format. These data are also include in the Durham HEP Reaction Data Database which can be searched at http://hepdata.cedar.ac.uk/reaction

  6. Operation Hardtack. Project 1. 9. Loading on buried simulated structures in high-overpressure regions. Report for April-October 1958

    SciTech Connect (OSTI)

    Bultmann, E.H.; McDonough, G.F.; Sinnamon, G.K.

    1984-10-31

    The objective of this project was to study some of the factors affecting the transmission of air-blast-induced pressure through soil and the loading produced on buried structures by such pressures in the high-pressure region (approximately 250 psi). Factors studied were: (1) the attenuation of pressure in a sand deposit when the water table is a few feet below the ground surface; (2) the effect of duration of positive phase of blast on the pressure transmitted through such a soil; (3) the effect of structure flexibility on the pressure acting on structures buried in such a soil; and (4) the relationship between horizontal and vertical pressures in such a soil. The project employed 43 devices, each a rigid cylinder having one rigid end and one deformable-diaphragm end. The devices were buried at depths ranging from 0 to 20 feet at each of two locations at the Eniwetok Proving Ground. The locations were chosen to give a predicted ground surface overpressure of about 250 psi from each of two shots, Cactus and Koa.

  7. Structure Functions in Deep Inelastic Lepton Scattering: Data from DOE laboratory experiments as compiled in data reviews by the Durham High Energy Physics Database Group

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

    Gehrmann, T; Roberts, R. G.; Whalley, M. R.; Durham HEP Database Group

    Gehrmann, Roberts, and Whalley in their 1999 paper, A Compilation of Structure Functions in Deep Inelastic Scattering, published in volume 25 of Journal of Physics G (Nuclear and Particle Physics) note that these data will continue to be relevant to the next generation of hadron colliders. They present data on the unpolarized structure functions F2 and xF3, R D ._L=_T /, the virtual photon asymmetries A1 and A2 and the polarized structure functions g1 and g2, from deep inelastic lepton scattering off protons, deuterium and nuclei. Data are presented in both tabular and graphical format and include predictions based on the MRST98 and CTEQ4 parton distribution functions as well. The data gathered from the relevant collaborations at DOE's Fermilab, SLAC, and JLAB are available, and so are data from related collaborations based at CERN and DESY. The Durham High Energy Physics (HEP) Database Group makes these data, extracted from papers and data reviews, available in one place in an easy-to-access format. These data are also include in the Durham HEP Reaction Data Database which can be searched at http://hepdata.cedar.ac.uk/reaction

  8. Structural and elastic anisotropy of crystals at high pressures and temperatures from quantum mechanical methods: The case of Mg{sub 2}SiO{sub 4} forsterite

    SciTech Connect (OSTI)

    Erba, A. Dovesi, R.; Maul, J.; De La Pierre, M.

    2015-05-28

    We report accurate ab initio theoretical predictions of the elastic, seismic, and structural anisotropy of the orthorhombic Mg{sub 2}SiO{sub 4} forsterite crystal at high pressures (up to 20 GPa) and temperatures (up to its melting point, 2163 K), which constitute earth’s upper mantle conditions. Single-crystal elastic stiffness constants are evaluated up to 20 GPa and their first- and second-order pressure derivatives reported. Christoffel’s equation is solved at several pressures: directional seismic wave velocities and related properties (azimuthal and polarization seismic anisotropies) discussed. Thermal structural and average elastic properties, as computed within the quasi-harmonic approximation of the lattice potential, are predicted at high pressures and temperatures: directional thermal expansion coefficients, first- and second-order pressure derivatives of the isothermal bulk modulus, and P-V-T equation-of-state. The effect on computed properties of five different functionals, belonging to three different classes of approximations, of the density functional theory is explicitly investigated.

  9. Structural characterization of Green River oil-shale at high-pressure using pair distribution function analysis and small angle x-ray scattering.

    SciTech Connect (OSTI)

    Locke, D. R.; Chupas, P. J.; Chapman, K. W.; Pugmire, R. J.; Winans, R. E.; Univ. of Utah

    2008-01-01

    The compression behavior of a silicate-rich oil shale from the Green River formation in the pressure range 0.0-2.4 GPa was studied using in situ high pressure X-ray pair distribution function (PDF) measurements for the sample contained within a Paris-Edinburgh cell. The real-space local structural information in the PDF, G(r), was used to evaluate the compressibility of the oil shale. Specifically, the pressure-induced reduction in the medium- to long-range atom distances (6-20 {angstrom}) yielded an average sample compressibility corresponding to a bulk modulus of ca. 61-67 GPa. A structural model consisting of a three phase mixture of the principal crystalline oil shale components (quartz, albite and Illite) provided a good fit to the ambient pressure PDF data (R 30.7%). Indeed the features in the PDF beyond 6 {angstrom}, were similarly well fit by a single phase model of the highest symmetry, highly crystalline quartz component.

  10. Insight into the Atomic Structure of High-Voltage Spinel LiNi0.5Mn1.5O4 Cathode Material in the First Cycle

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

    Huang, Xuejie; Yu, Xiqian; Lin, Mingxiang; Ben, Liubin; Sun, Yang; Wang, Hao; Yang, Zhenzhong; Gu, Lin; Yang, Xiao -Qing; Zhao, Haofei; et al

    2014-12-22

    Application of high-voltage spinel LiNi0.5Mn1.5O4 cathode material is the closest and the most realistic approach to meeting the midterm goal of lithium-ion batteries for electric vehicles (EVs) and plug-in hybrid electric vehicles (HEVs). However, this application has been hampered by long-standing issues, such as capacity degradation and poor first-cycle Coulombic efficiency of LiNi0.5Mn1.5O4 cathode material. Although it is well-known that the structure of LiNi0.5Mn1.5O4 into which Li ions are reversibly intercalated plays a critical role in the above issues, performance degradation related to structural changes, particularly in the first cycle, are not fully understood. Here, we report detailed investigations ofmore » local atomic-level and average structure of LiNi0.5Mn1.5O4 during first cycle (3.5–4.9 V) at room temperature. We observed two types of local atomic-level migration of transition metals (TM) ions in the cathode of a well-prepared LiNi0.5Mn1.5O4//Li half-cell during first charge via an aberration-corrected scanning transmission electron microscopy (STEM). Surface regions (~2 nm) of the cycled LiNi0.5Mn1.5O4 particles show migration of TM ions into tetrahedral Li sites to form a Mn3O4-like structure. However, subsurface regions of the cycled particles exhibit migration of TM ions into empty octahedral sites to form a rocksalt-like structure. The migration of these TM ions are closely related to dissolution of Ni/Mn ions and building-up of charge transfer impedance, which contribute significantly to the capacity degradation and the poor first-cycle Coulombic efficiency of spinel LiNi0.5Mn1.5O4 cathode material. Accordingly, we provide suggestions of effective stabilization of LiNi0.5Mn1.5O4 structure to obtain better electrochemical performance.« less

  11. Local structural distortion and electrical transport properties of Bi(Ni1/2Ti1/2)O3 perovskite under high pressure

    SciTech Connect (OSTI)

    Zhu, Jinlong; Yang, Liuxiang; Wang, Hsiu -Wen; Zhang, Jianzhong; Yang, Wenge; Hong, Xinguo; Jin, Changqing; Zhao, Yusheng

    2015-12-16

    Perovskite-structure materials generally exhibit local structural distortions that are distinct from long-range, average crystal structure. The characterization of such distortion is critical to understanding the structural and physical properties of materials. In this work, we combined Pair Distribution Function (PDF) technique with Raman spectroscopy and electrical resistivity measurement to study Bi(Ni1/2Ti1/2)O3 perovskite under high pressure. PDF analysis reveals strong local structural distortion at ambient conditions. As pressure increases, the local structure distortions are substantially suppressed and eventually vanish around 4 GPa, leading to concurrent changes in the electronic band structure and anomalies in the electrical resistivity. We find, consistent with PDF analysis, Raman spectroscopy data suggest that the local structure changes to a higher ordered state at pressures above 4 GPa.

  12. Partial Spin Ordering and Complex Magnetic Structure in BaYFeO4: A Neutron Diffraction and High Temperature Susceptibility Study

    SciTech Connect (OSTI)

    Thompson, Corey; Greedan, John; Garlea, Vasile O; Flacau, Roxana; Tan, Malinda; Derakhshan, Shahab

    2014-01-01

    The novel iron-based compound, BaYFeO4, crystallizes in the Pnma space group with two distinct Fe3+ sites, that are alternately corner-shared [FeO5]7 square pyramids and [FeO6]9 octahedra, forming into [Fe4O18]24 rings, which propagate as columns along the b-axis. A recent report shows two discernible antiferromagnetic (AFM) transitions at 36 and 48 K in the susceptibility, yet heat capacity measurements reveal no magnetic phase transitions at these temperatures. An upturn in the magnetic susceptibility measurements up to 400 K suggests the presence of shortrange magnetic behavior at higher temperatures. In this Article, variable-temperature neutron powder diffraction and hightemperature magnetic susceptibility measurements were performed to clarify the magnetic behavior. Neutron powder diffraction confirmed that the two magnetic transitions observed at 36 and 48 K are due to long-range magnetic order. Below 48 K, the magnetic structure was determined as a spin-density wave (SDW) with a propagation vector, k = (0, 0, 1/3), and the moments along the b-axis, whereas the structure becomes an incommensurate cycloid [k = (0, 0, 0.35)] below 36 K with the moments within the bc-plane. However, for both cases the ordered moments on Fe3+ are only of the order 3.0 B, smaller than the expected values near 4.5 B, indicating that significant components of the Fe moments remain paramagnetic to the lowest temperature studied, 6 K. Moreover, new high-temperature magnetic susceptibility measurements revealed a peak maximum at 550 K indicative of short-range spin correlations. It is postulated that most of the magnetic entropy is thus removed at high temperatures which could explain the absence of heat capacity anomalies at the long-range ordering temperatures. Published spin dimer calculations, which appear to suggest a k = (0, 0, 0) magnetic structure, and allow for neither low dimensionality nor geometric frustration, are inadequate to explain the observed complex magnetic

  13. Synthesis, Structure, and Electrochemical Performance of High Capacity Li2Cu0.5Ni0.5O2 Cathodes

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

    Ruther, Rose E; Zhou, Hui; Dhital, Chetan; Saravanan, Kuppan; Kercher, Andrew K.; Chen, Guoying; Huq, Ashfia; Delnick, Frank M.; Nanda, Jagjit

    2015-09-08

    Orthorhombic Li2NiO2, Li2CuO2, and solid solutions thereof have been studied as potential cathode materials for lithium-ion batteries due to their high theoretical capacity and relatively low cost. While neither endmember shows good cycling stability, the intermediate composition, Li2Cu0.5Ni0.5O2, yields reasonably high reversible capacities. A new synthetic approach and detailed characterization of this phase and the parent Li2CuO2 are presented. The cycle life of Li2Cu0.5Ni0.5O2 is shown to depend critically on the voltage window. The formation of Cu1+ at low voltage and oxygen evolution at high voltage limit the electrochemical reversibility. In situ X-ray absorption spectroscopy (XAS), in situ Raman spectroscopy,more » and gas evolution measurements are used to follow the chemical and structural changes that occur as a function of cell voltage.« less

  14. High temperature turbine engine structure

    DOE Patents [OSTI]

    Boyd, Gary L.

    1991-01-01

    A hybrid ceramic/metallic fastener (bolt) includes a headed ceramic shank carrying a metallic end termination fitting. A conventional cap screw threadably engages the termination fitting to apply tensile force to the fastener.

  15. High temperature turbine engine structure

    DOE Patents [OSTI]

    Boyd, Gary L.

    1992-01-01

    A hybrid ceramic/metallic fastener (bolt) includes a headed ceramic shank carrying a metallic end termination fitting. A conventional cap screw threadably engages the termination fitting to apply tensile force to the fastener.

  16. A high-entropy-wind r-process study based on nuclear-structure quantities from the new finite-range droplet model FRDM(2012)

    SciTech Connect (OSTI)

    Kratz, Karl-Ludwig; Farouqi, Khalil; Mller, Peter E-mail: kfarouqi@lsw.uni-heidelberg.de

    2014-09-01

    Attempts to explain the source of r-process elements in our solar system (S.S.) by particular astrophysical sites still face entwined uncertainties, stemming from the extrapolation of nuclear properties far from stability, inconsistent sources of different properties (e.g., nuclear masses and ?-decay properties), and the poor understanding of astrophysical conditions, which are hard to disentangle. In this paper we present results from the investigation of r-process in the high-entropy wind (HEW) of core-collapse supernovae (here chosen as one of the possible scenarios for this nucleosynthesis process), using new nuclear-data input calculated in a consistent approach, for masses and ?-decay properties from the new finite-range droplet model FRDM(2012). The accuracy of the new mass model is 0.56 MeV with respect to AME2003, to which it was adjusted. We compare the new HEW r-process abundance pattern to the latest S.S. r-process residuals and to our earlier calculations with the nuclear-structure quantities based on FRDM(1992). Substantial overall and specific local improvements in the calculated pattern of the r-process between A ? 110 and {sup 209}Bi, as well as remaining deficiencies, are discussed in terms of the underlying spherical and deformed shell structure far from stability.

  17. Size Matters: Assessing Optimum Soil Sample Size for Fungal and Bacterial Community Structure Analyses Using High Throughput Sequencing of rRNA Gene Amplicons

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

    Penton, C. Ryan; Gupta, Vadakattu V. S. R.; Yu, Julian; Tiedje, James M.

    2016-06-02

    We examined the effect of different soil sample sizes obtained from an agricultural field, under a single cropping system uniform in soil properties and aboveground crop responses, on bacterial and fungal community structure and microbial diversity indices. DNA extracted from soil sample sizes of 0.25, 1, 5, and 10 g using MoBIO kits and from 10 and 100 g sizes using a bead-beating method (SARDI) were used as templates for high-throughput sequencing of 16S and 28S rRNA gene amplicons for bacteria and fungi, respectively, on the Illumina MiSeq and Roche 454 platforms. Sample size significantly affected overall bacterial and fungalmore » community structure, replicate dispersion and the number of operational taxonomic units (OTUs) retrieved. Richness, evenness and diversity were also significantly affected. The largest diversity estimates were always associated with the 10 g MoBIO extractions with a corresponding reduction in replicate dispersion. For the fungal data, smaller MoBIO extractions identified more unclassified Eukaryota incertae sedis and unclassified glomeromycota while the SARDI method retrieved more abundant OTUs containing unclassified Pleosporales and the fungal genera Alternaria and Cercophora. Overall, these findings indicate that a 10 g soil DNA extraction is most suitable for both soil bacterial and fungal communities for retrieving optimal diversity while still capturing rarer taxa in concert with decreasing replicate variation.« less

  18. Computer Aided Multi-scale Design of SiC-Si3N4 Nanoceramic Composites for High-Temperature Structural Applications

    SciTech Connect (OSTI)

    Vikas Tomer; John Renaud

    2010-08-31

    It is estimated that by using better and improved high temperature structural materials, the power generation efficiency of the power plants can be increased by 15% resulting in significant cost savings. One such promising material system for future high-temperature structural applications in power plants is Silicon Carbide-Silicon Nitride (SiC-Si{sub 3}N{sub 4}) nanoceramic matrix composites. The described research work focuses on multiscale simulation-based design of these SiC-Si{sub 3}N{sub 4} nanoceramic matrix composites. There were two primary objectives of the research: (1) Development of a multiscale simulation tool and corresponding multiscale analyses of the high-temperature creep and fracture resistance properties of the SiC-Si{sub 3}N{sub 4} nanocomposites at nano-, meso- and continuum length- and timescales; and (2) Development of a simulation-based robust design optimization methodology for application to the multiscale simulations to predict the range of the most suitable phase morphologies for the desired high-temperature properties of the SiC-Si{sub 3}N{sub 4} nanocomposites. The multiscale simulation tool is based on a combination of molecular dynamics (MD), cohesive finite element method (CFEM), and continuum level modeling for characterizing time-dependent material deformation behavior. The material simulation tool is incorporated in a variable fidelity model management based design optimization framework. Material modeling includes development of an experimental verification framework. Using material models based on multiscaling, it was found using molecular simulations that clustering of the SiC particles near Si{sub 3}N{sub 4} grain boundaries leads to significant nanocomposite strengthening and significant rise in fracture resistance. It was found that a control of grain boundary thicknesses by dispersing non-stoichiometric carbide or nitride phases can lead to reduction in strength however significant rise in fracture strength. The

  19. High-pressure synthesis, crystal structure and magnetic properties of double perovskite oxide Ba{sub 2}CuOsO{sub 6}

    SciTech Connect (OSTI)

    Feng, Hai L.; Arai, Masao; Matsushita, Yoshitaka; Tsujimoto, Yoshihiro; Yuan, Yahua; Sathish, Clastin I.; He, Jianfeng; Tanaka, Masahiko; Yamaura, Kazunari

    2014-09-15

    A new compositional double perovskite oxide Ba{sub 2}CuOsO{sub 6} was synthesized under high-pressure (6 GPa) and high-temperature (1500 °C) conditions. The polycrystalline Ba{sub 2}CuOsO{sub 6} was characterized by synchrotron X-ray diffraction, thermogravimetric analysis, and magnetic susceptibility, isothermal magnetization, and specific heat measurements. The oxide crystallizes in a double-perovskite structure with an I4/m space group, in which Os(VI) and Cu(II) are ordered in the perovskite B-site. Ba{sub 2}CuOsO{sub 6} is electrically insulating with an activation energy of 0.813(2) eV and shows antiferromagnetic-like characteristics at temperatures of ∼55 K and ∼70 K. The results of the first-principle calculation suggested that the spin–orbit interaction of Os(VI) plays a substantial role in the insulating state. The Jahn–Teller distortion of CuO{sub 6} octahedra influences the magnetic characteristics with regard to possible two-dimensional magnetic correlations. - Graphical abstract: A new compositional double perovskite oxide Ba{sub 2}CuOsO{sub 6} synthesized by a high-pressure (6 GPa) and high-temperature (1500 °C) method. - Highlights: • A new compositional double perovskite oxide Ba{sub 2}CuOsO{sub 6} was synthesized. • Ba{sub 2}CuOsO{sub 6} is electrically insulating and antiferromagnetic below ∼70 K. • The Jahn–Teller distortion of CuO{sub 6} has relevance to possible magnetic anisotropy.

  20. Identifying surface structural changes in layered Li-excess nickel manganese oxides in high voltage lithium ion batteries: A joint experimental and theoretical study

    SciTech Connect (OSTI)

    Xu, Bo; Fell, Christopher R.; Chi, Miaofang; Meng, Ying Shirley

    2011-09-06

    High voltage cathode materials Li-excess layered oxide compounds Li[Ni{sub x}Li{sub 1/3-2x/3}Mn{sub 2/3-x/3}]O{sub 2} (0 < x < 1/2) are investigated in a joint study combining both computational and experimental methods. The bulk and surface structures of pristine and cycled samples of Li[Ni{sub 1/5}Li{sub 1/5}Mn{sub 3/5}]O{sub 2} are characterized by synchrotron X-Ray diffraction together with aberration corrected Scanning Transmission Electron Microscopy (a-S/TEM). Electron Energy Loss Spectroscopy (EELS) is carried out to investigate the surface changes of the samples before/after electrochemical cycling. Combining first principles computational investigation with our experimental observations, a detailed lithium de-intercalation mechanism is proposed for this family of Li-excess layered oxides. The most striking characteristics in these high voltage high energy density cathode materials are (1) formation of tetrahedral lithium ions at voltage less than 4.45 V and (2) the transition metal (TM) ions migration leading to phase transformation on the surface of the materials. We show clear evidence of a new spinel-like solid phase formed on the surface of the electrode materials after high-voltage cycling. It is proposed that such surface phase transformation is one of the factors contributing to the first cycle irreversible capacity and the main reason for the intrinsic poor rate capability of these materials.

  1. Structural Characterization of a Plutonium Sequestering Agent Complex by Synchrotron X-ray Diffraction

    SciTech Connect (OSTI)

    Gorden, A.E.V. |; Szigethy, G.; Tiedemann, B.E.F.; Xu, J.; Shuh, D.K.; Raymond, K.N. |

    2007-07-01

    New ligands and materials are required that can coordinate, sense, and purify actinides for selective extraction and reduction of toxic, radioactive wastes from the mining and purification of actinides. The similarities in the chemical, biological transport, and distribution properties of Fe(III) and Pu(IV) inspired a bio-mimetic approach to the development of sequestering agents for actinides. A detailed evaluation of the structure and bonding of actinide coordinating ligands like these is important for the design of new selective ligand systems. Knowing the difficulty with working with the crystals resulting from these ligand systems and safe handling considerations for working with Pu, procedures were developed that utilize the Advanced Light Source of Lawrence Berkeley National Laboratory to determine the solid-state structures of Pu complexes by X-ray diffraction. (au0011tho.

  2. Structural properties and dielectric function of graphene grown by high-temperature sublimation on 4H-SiC(000-1)

    SciTech Connect (OSTI)

    Bouhafs, C. Darakchieva, V.; Persson, I. L.; Persson, P. O. .; Yakimova, R.; Tiberj, A.; Paillet, M.; Zahab, A.-A.; Landois, P.; Juillaguet, S.; Schche, S.; Schubert, M.

    2015-02-28

    Understanding and controlling growth of graphene on the carbon face (C-face) of SiC presents a significant challenge. In this work, we study the structural, vibrational, and dielectric function properties of graphene grown on the C-face of 4H-SiC by high-temperature sublimation in an argon atmosphere. The effect of growth temperature on the graphene number of layers and crystallite size is investigated and discussed in relation to graphene coverage and thickness homogeneity. An amorphous carbon layer at the interface between SiC and the graphene is identified, and its evolution with growth temperature is established. Atomic force microscopy, micro-Raman scattering spectroscopy, spectroscopic ellipsometry, and high-resolution cross-sectional transmission electron microscopy are combined to determine and correlate thickness, stacking order, dielectric function, and interface properties of graphene. The role of surface defects and growth temperature on the graphene growth mechanism and stacking is discussed, and a conclusion about the critical factors to achieve decoupled graphene layers is drawn.

  3. Adsorption geometry, conformation, and electronic structure of 2H-octaethylporphyrin on Ag(111) and Fe metalation in ultra high vacuum

    SciTech Connect (OSTI)

    Borghetti, Patrizia; Sangaletti, Luigi; Santo, Giovanni Di; Castellarin-Cudia, Carla; Goldoni, Andrea; Fanetti, Mattia; Magnano, Elena; Bondino, Federica

    2013-04-14

    Due to the growing interest in the ferromagnetic properties of Fe-octaethylporphyrins (Fe-OEP) for applications in spintronics, methods to produce stable Fe-porphyrins with no Cl atoms are highly demanded. Here, we demonstrate the formation of Fe-OEP layers on Ag(111) single crystal by the ultra high vacuum in situ metalation of the free-base 2H-2,3,7,8,12,13,17,18-octaethylporphyrin (2H-OEP) molecules. The metalation proceeds exactly as in the case of 2H-5,10,15,20-tetraphenylporphyrin (2H-TPP) on the same substrate. An extensive surface characterization by means of X-ray photoemission spectroscopy, valence band photoemission, and NEXAFS with synchrotron radiation light provides information on molecular conformation and electronic structure in the monolayer and multilayer cases. We demonstrate that the presence of the ethyl groups affects the tilt of the adsorbed molecules, the conformation of the macrocycle, and the polarization screening in multilayers, but has only a minor effect in the metalation process with respect to 2H-TPP.

  4. Regulatory Safety Issues in the Structural Design Criteria of ASME Section III Subsection NH and for Very High Temperatures for VHTR & GEN IV

    SciTech Connect (OSTI)

    William J. O’Donnell; Donald S. Griffin

    2007-05-07

    The objective of this task is to identify issues relevant to ASME Section III, Subsection NH [1], and related Code Cases that must be resolved for licensing purposes for VHTGRs (Very High Temperature Gas Reactor concepts such as those of PBMR, Areva, and GA); and to identify the material models, design criteria, and analysis methods that need to be added to the ASME Code to cover the unresolved safety issues. Subsection NH was originally developed to provide structural design criteria and limits for elevated-temperature design of Liquid Metal Fast Breeder Reactor (LMFBR) systems and some gas-cooled systems. The U.S. Nuclear Regulatory Commission (NRC) and its Advisory Committee for Reactor Safeguards (ACRS) reviewed the design limits and procedures in the process of reviewing the Clinch River Breeder Reactor (CRBR) for a construction permit in the late 1970s and early 1980s, and identified issues that needed resolution. In the years since then, the NRC and various contractors have evaluated the applicability of the ASME Code and Code Cases to high-temperature reactor designs such as the VHTGRs, and identified issues that need to be resolved to provide a regulatory basis for licensing. This Report describes: (1) NRC and ACRS safety concerns raised during the licensing process of CRBR , (2) how some of these issues are addressed by the current Subsection NH of the ASME Code; and (3) the material models, design criteria, and analysis methods that need to be added to the ASME Code and Code Cases to cover unresolved regulatory issues for very high temperature service.

  5. Structure of a highly acidic β-lactamase from the moderate halophile Chromohalobacter sp. 560 and the discovery of a Cs{sup +}-selective binding site

    SciTech Connect (OSTI)

    Arai, Shigeki; Yonezawa, Yasushi; Okazaki, Nobuo; Matsumoto, Fumiko; Shibazaki, Chie; Shimizu, Rumi; Yamada, Mitsugu; Adachi, Motoyasu; Tamada, Taro; Kawamoto, Masahide; Tokunaga, Hiroko; Ishibashi, Matsujiro; Blaber, Michael; Tokunaga, Masao; Kuroki, Ryota

    2015-03-01

    The tertiary structure of a β-lactamase derived from the halobacterium Chromohalobacter sp. 560 (HaBLA) was determined by X-ray crystallography. Three unique Sr{sup 2+}-binding sites and one Cs{sup +}-binding site were discovered in the HaBLA molecule. Environmentally friendly absorbents are needed for Sr{sup 2+} and Cs{sup +}, as the removal of the radioactive Sr{sup 2+} and Cs{sup +} that has leaked from the Fukushima Nuclear Power Plant is one of the most important problems in Japan. Halophilic proteins are known to have many acidic residues on their surface that can provide specific binding sites for metal ions such as Cs{sup +} or Sr{sup 2+}. The crystal structure of a halophilic β-lactamase from Chromohalobacter sp. 560 (HaBLA) was determined to resolutions of between 1.8 and 2.9 Å in space group P3{sub 1} using X-ray crystallography. Moreover, the locations of bound Sr{sup 2+} and Cs{sup +} ions were identified by anomalous X-ray diffraction. The location of one Cs{sup +}-specific binding site was identified in HaBLA even in the presence of a ninefold molar excess of Na{sup +} (90 mM Na{sup +}/10 mM Cs{sup +}). From an activity assay using isothermal titration calorimetry, the bound Sr{sup 2+} and Cs{sup +} ions do not significantly affect the enzymatic function of HaBLA. The observation of a selective and high-affinity Cs{sup +}-binding site provides important information that is useful for the design of artificial Cs{sup +}-binding sites that may be useful in the bioremediation of radioactive isotopes.

  6. A novel 3D structure composed of strings of hierarchical TiO{sub 2} spheres formed on TiO{sub 2} nanobelts with high photocatalytic properties

    SciTech Connect (OSTI)

    Jiang, Yongjian; Li, Meicheng; Song, Dandan; Li, Xiaodan; Yu, Yue

    2014-03-15

    A novel hierarchical titanium dioxide (TiO{sub 2}) composite nanostructure with strings of anatase TiO{sub 2} hierarchical micro-spheres and rutile nanobelts framework (TiO{sub 2} HSN) is successfully synthesized via a one-step hydrothermal method. Particularly, the strings of hierarchical spheres are assembled by very thin TiO{sub 2} nanosheets, which are composed of highly crystallized anatase nanocrystals. Meanwhile, the HSN has a large surface area of 191 m{sup 2}/g, which is about 3 times larger than Degussa P25. More importantly, the photocatalytic activity of HSN and P25 were evaluated by the photocatalytic oxidation decomposition of methyl orange (MO) under UV light illumination, and the TiO{sub 2} HSN shows enhanced photocatalytic activity compared with Degussa P25, as result of its continuous hierarchical structures, special conductive channel and large specific surface area. With these features, the hierarchical TiO{sub 2} may have more potential applications in the fields of dye-sensitized solar cells and lithium ion batteries. -- Graphical abstract: Novel TiO{sub 2} with anatase micro-spheres and rutile nanobelts is synthesized. Enhanced photocatalysis is attributed to hierarchical structures (3D spheres), conductive channel (1D nanobelts) and large specific surface area (2D nanosheet). Highlights: • The novel TiO{sub 2} nanostructure (HSN) is fabricated for the first time. • HSN is composed of strings of anatase hierarchical spheres and rutile nanobelt. • HSN presents a larger S{sub BET} of 191 m{sup 2}/g, 3 times larger than the Degussa P25 (59 m{sup 2}/g). • HSN owns three kinds of dimensional TiO{sub 2} (1D, 2D and 3D) simultaneously. • HSN exhibits better photocatalytic performance compared with Degussa P25.

  7. High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF{sub 3}

    SciTech Connect (OSTI)

    Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.

    2012-07-15

    NaNiF{sub 3} perovskite was found to transform to post-perovskite at 16-18 GPa and 1273-1473 K. The equilibrium transition boundary is expressed as P (GPa)=-2.0+0.014 Multiplication-Sign T (K). Structure refinements indicated that NaNiF{sub 3} perovskite and post-perovskite have almost regular NiF{sub 6} octahedra consistent with absence of the first-order Jahn-Teller active ions. Both NaNiF{sub 3} perovskite and post-perovskite are insulators. The perovskite underwent a canted antiferromagnetic transition at 156 K, and the post-perovskite antiferromagnetic transition at 22 K. Magnetic exchange interaction of NaNiF{sub 3} post-perovskite is smaller than that of perovskite, reflecting larger distortion of Ni-F-Ni network and lower dimension of octahedral arrangement in post-perovskite than those in perovskite. - Graphical abstract: Perovskite-post-perovskite transition in NaNiF{sub 3} at high pressure Highlights: Black-Right-Pointing-Pointer NaNiF{sub 3} perovskite (Pv) transforms to post-perovskite (pPv) at 16 GPa and 1300 K. Black-Right-Pointing-Pointer The equilibrium transition boundary is expressed as P (GPa)=-2.0+0.014 T (K). Black-Right-Pointing-Pointer Antiferromagnetic transition occurs at 156 K in Pv and 22 K in pPv.

  8. Analysis of the rotational structure in the high-resolution infrared spectra of trans-hexatriene-2-d1 and -3-d1

    SciTech Connect (OSTI)

    Craig, Norman C.; Chen, Yihui; van Besien, Herman; Blake, Thomas A.

    2014-09-01

    The 2-d1 and 3-d1 isotopologues of trans-hexatriene have been synthesized, and their high-resolution (0.0015 cm-1) IR spectra have been recorded. For each of the isotopologues the rotational structure in four C-type bands for out-of-plane vibrational modes has been analyzed, and the ground state combination differences (GSCDs) have been pooled. Ground state rotational constants have been fitted to the GSCDs. For the 2-d species, A0, B0, and C0 values of 0.7837254(5), 0.0442806(3), and 0.0419299(2) cm-1 were fitted to 2450 GSCDs. For the 3-d species, A0, B0, and C0 values of 0.7952226(8), 0.0446149(7), and 0.0422661(4) cm-1 were fitted to 2234 GSCDs. For the eleven out-of-plane modes of the two isotopologues, predictions of anharmonic wavenumbers and harmonic intensities have been computed and compared with experiment where possible.

  9. A laboratory-based hard x-ray monochromator for high-resolution x-ray emission spectroscopy and x-ray absorption near edge structure measurements

    SciTech Connect (OSTI)

    Seidler, G. T. Mortensen, D. R.; Remesnik, A. J.; Pacold, J. I.; Ball, N. A.; Barry, N.; Styczinski, M.; Hoidn, O. R.

    2014-11-15

    We report the development of a laboratory-based Rowland-circle monochromator that incorporates a low power x-ray (bremsstrahlung) tube source, a spherically bent crystal analyzer, and an energy-resolving solid-state detector. This relatively inexpensive, introductory level instrument achieves 1-eV energy resolution for photon energies of ∼5 keV to ∼10 keV while also demonstrating a net efficiency previously seen only in laboratory monochromators having much coarser energy resolution. Despite the use of only a compact, air-cooled 10 W x-ray tube, we find count rates for nonresonant x-ray emission spectroscopy comparable to those achieved at monochromatized spectroscopy beamlines at synchrotron light sources. For x-ray absorption near edge structure, the monochromatized flux is small (due to the use of a low-powered x-ray generator) but still useful for routine transmission-mode studies of concentrated samples. These results indicate that upgrading to a standard commercial high-power line-focused x-ray tube or rotating anode x-ray generator would result in monochromatized fluxes of order 10{sup 6}–10{sup 7} photons/s with no loss in energy resolution. This work establishes core technical capabilities for a rejuvenation of laboratory-based hard x-ray spectroscopies that could have special relevance for contemporary research on catalytic or electrical energy storage systems using transition-metal, lanthanide, or noble-metal active species.

  10. Star formation quenching in high-redshift large-scale structure: post-starburst galaxies in the Cl 1604 supercluster at z ∼ 0.9

    SciTech Connect (OSTI)

    Wu, Po-Feng; Gal, Roy R.; Lemaux, Brian C.; Kocevski, Dale D.; Lubin, Lori M.; Rumbaugh, Nicholas; Squires, Gordon K.

    2014-09-01

    The Cl 1604 supercluster at z ∼ 0.9 is one of the most extensively studied high-redshift large-scale structures, with more than 500 spectroscopically confirmed members. It consists of eight clusters and groups, with members numbering from a dozen to nearly a hundred, providing a broad range of environments for investigating the large-scale environmental effects on galaxy evolution. Here we examine the properties of 48 post-starburst galaxies in Cl 1604, comparing them to other galaxy populations in the same supercluster. Incorporating photometry from ground-based optical and near-infrared imaging, along with Spitzer mid-infrared observations, we derive stellar masses for all Cl 1604 members. The colors and stellar masses of the K+A galaxies support the idea that they are progenitors of red sequence galaxies. Their morphologies, residual star formation rates, and spatial distributions suggest that galaxy mergers may be the principal mechanism producing post-starburst galaxies. Interaction between galaxies and the dense intracluster medium (ICM) is also effective, but only in the cores of dynamically evolved clusters. The prevalence of post-starburst galaxies in clusters correlates with the dynamical state of the host cluster, as both galaxy mergers and the dense ICM produce post-starburst galaxies. We also investigate the incompleteness and contamination of K+A samples selected by means of Hδ and [O II] equivalent widths. K+A samples may be up to ∼50% incomplete due to the presence of LINERs/Seyferts, and up to ∼30% of K+A galaxies could have substantial star formation activity.

  11. Biomimetic Approach to Nanoparticle Growth

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

    Solar Energy Wind Energy Water Power Supercritical CO2 ... Applications National Solar Thermal Test Facility Nuclear ... method) and concentration (hot-injection method) to ...

  12. Neutron reflecting supermirror structure

    DOE Patents [OSTI]

    Wood, James L.

    1992-01-01

    An improved neutron reflecting supermirror structure comprising a plurality of stacked sets of bilayers of neutron reflecting materials. The improved neutron reflecting supermirror structure is adapted to provide extremely good performance at high incidence angles, i.e. up to four time the critical angle of standard neutron mirror structures. The reflection of neutrons striking the supermirror structure at a high critical angle provides enhanced neutron throughput, and hence more efficient and economical use of neutron sources.

  13. Neutron reflecting supermirror structure

    DOE Patents [OSTI]

    Wood, J.L.

    1992-12-01

    An improved neutron reflecting supermirror structure comprising a plurality of stacked sets of bilayers of neutron reflecting materials. The improved neutron reflecting supermirror structure is adapted to provide extremely good performance at high incidence angles, i.e. up to four time the critical angle of standard neutron mirror structures. The reflection of neutrons striking the supermirror structure at a high critical angle provides enhanced neutron throughput, and hence more efficient and economical use of neutron sources. 2 figs.

  14. Negligible Magnetism in Excellent Structural Quality Cr[subscript x]Ti[subscript 1-x]O[subscript 2] Anatase: Contrast with High-T[subscript C] Ferromagnetism in Structurally Defective Cr[subscript x]Ti[subscript 1-x]O[subscript 2

    SciTech Connect (OSTI)

    Kaspar, T.C.; Heald, S.M.; Wang, C.M.; Bryan, J.D.; Droubay, T.; Shutthanandan, V.; Thevuthasan, S.; McCready, D.E.; Kellock, A.J.; Gamelin, D.R.; Chambers, S.A.

    2010-07-19

    We reexamine the mechanism of ferromagnetism in doped TiO{sub 2} anatase, using epitaxial Cr:TiO{sub 2} with excellent structural quality as a model system. In contrast to highly oriented but defective Cr:TiO{sub 2} ({approx}0.5{micro}{sub B}/Cr), these structurally superior single crystal films exhibit negligible ferromagnetism. Similar results were obtained for Co:TiO{sub 2}. We show for the first time that charge-compensating oxygen vacancies alone, as predicted by F-center mediated exchange, are not sufficient to activate ferromagnetism. Instead, the onset of ferromagnetism correlates with the presence of structural defects.

  15. High detection efficiency micro-structured solid-state neutron detector with extremely low leakage current fabricated with continuous p-n junction

    SciTech Connect (OSTI)

    Huang, Kuan-Chih; Lu, James J.-Q.; Bhat, Ishwara B.; Dahal, Rajendra; Department of Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180-3522 ; Danon, Yaron

    2013-04-15

    We report the continuous p-n junction formation in honeycomb structured Si diode by in situ boron deposition and diffusion process using low pressure chemical vapor deposition for solid-state thermal neutron detection applications. Optimized diffusion temperature of 800 Degree-Sign C was obtained by current density-voltage characteristics for fabricated p{sup +}-n diodes. A very low leakage current density of {approx}2 Multiplication-Sign 10{sup -8} A/cm{sup 2} at -1 V was measured for enriched boron filled honeycomb structured neutron detector with a continuous p{sup +}-n junction. The neutron detection efficiency for a Maxwellian spectrum incident on the face of the detector was measured under zero bias voltage to be {approx}26%. These results are very encouraging for fabrication of large area solid-state neutron detector that could be a viable alternative to {sup 3}He tube based technology.

  16. High-Field NMR Studies of Molecular Recognition and Structure-Function Relationships in Antimicrobial Piscidins at the Water-Lipid Bilayer Interface

    SciTech Connect (OSTI)

    Chekmenev, Eduard Y.; Jones, Shiela M.; Nikolayeva, Yelena; Vollmar, Breanna S.; Wagner, Timothy J.; Gorkov, Peter L.; Brey, William W.; Manion, Mckenna N.; Daugherty, Kenneth C.; Cotten, Myriam L.

    2006-04-26

    Piscidins are the first amphipathic, cationic, antimicrobial peptides (ACAPs) to be found in the mast cells of fish, and they are believed to play a crucial role in the fight against many aquatic infections.1 Many ACAPs have been characterized functionally, and some models for their mechanism of action exist, including the barrel-stave model, the wormhole model, the carpet mechanism, and the intracellular activation of fatal pathways.2-9 Much information remains to be learned about the details of their structure, initial interactions with membranes, and the ultimate mechanism for disrupting cellular function. To this end, we employed solid-state NMR (ssNMR) to probe the structure and topology of isotopically labeled piscidins in the membrane-bound state.

  17. High temperature crystal structures and superionic properties of SrCl{sub 2}, SrBr{sub 2}, BaCl{sub 2} and BaBr{sub 2}

    SciTech Connect (OSTI)

    Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.

    2011-11-15

    The structural properties of the binary alkaline-earth halides SrCl{sub 2}, SrBr{sub 2}, BaCl{sub 2} and BaBr{sub 2} have been investigated from ambient temperature up to close to their melting points, using the neutron powder diffraction technique. Fluorite-structured SrCl{sub 2} undergoes a gradual transition to a superionic phase at 900-1100 K, characterised by an increasing concentration of anion Frenkel defects. At a temperature of 920(3) K, the tetragonal phase of SrBr{sub 2} undergoes a first-order transition to a cubic fluorite phase. This high temperature phase shows the presence of extensive disorder within the anion sublattice, which differs from that found in superionic SrCl{sub 2}. BaCl{sub 2} and BaBr{sub 2} both adopt the cotunnite crystal structure under ambient conditions. BaCl{sub 2} undergoes a first-order structural transition at 917(5) K to a disordered fluorite-structured phase. The relationship between the (disordered) crystal structures and the ionic conductivity behaviour is discussed and the influence of the size of the mobile anion on the superionic behaviour is explored. - Graphical abstract: Anomalous behaviour of the lattice expansion of SrCl{sub 2} at temperatures of {approx}1000 K is associated with the gradual transition to a superionic phase, whilst SrBr{sub 2} undergoes a first-order structural transition ({beta}{yields}{alpha}) to a fluorite-structured superionic phase at 920(3) K. Highlights: > Anomalous behaviour of the lattice expansion of SrCl{sub 2} occurs at temperatures {approx}1000 K. > Crystal structure of {beta}-SrBr{sub 2} is described in detail. > On heating, SrBr{sub 2} and BaCl{sub 2} transform to a fluorite-structured superionic phase. > Temperature dependence of the BaCl{sub 2} and BaBr{sub 2} structures is presented. > Nature of the superionic phases within the alkaline-earth halides is discussed.

  18. Ultrahigh and High Resolution Structures and Mutational Analysis of Monomeric Streptococcus pyogenes SpeB Reveal a Functional Role for the Glycine-rich C-terminal Loop

    SciTech Connect (OSTI)

    Gonzlez-Pez, Gonzalo E.; Wolan, Dennis W.

    2012-09-05

    Cysteine protease SpeB is secreted from Streptococcus pyogenes and has been studied as a potential virulence factor since its identification almost 70 years ago. Here, we report the crystal structures of apo mature SpeB to 1.06 {angstrom} resolution as well as complexes with the general cysteine protease inhibitor trans-epoxysuccinyl-L-leucylamido(4-guanidino)butane and a novel substrate mimetic peptide inhibitor. These structures uncover conformational changes associated with maturation of SpeB from the inactive zymogen to its active form and identify the residues required for substrate binding. With the use of a newly developed fluorogenic tripeptide substrate to measure SpeB activity, we determined IC{sub 50} values for trans-epoxysuccinyl-L-leucylamido(4-guanidino)butane and our new peptide inhibitor and the effects of mutations within the C-terminal active site loop. The structures and mutational analysis suggest that the conformational movements of the glycine-rich C-terminal loop are important for the recognition and recruitment of biological substrates and release of hydrolyzed products.

  19. Structural features and enhanced high-temperature oxygen ion transport in SrFe{sub 1-x}Ta{sub x}O{sub 3-{delta}}

    SciTech Connect (OSTI)

    Markov, Alexey A.; Shalaeva, Elizaveta V.; Tyutyunnik, Alexander P.; Kuchin, Vasily V.; Patrakeev, Mikhail V.; Leonidov, Ilya A.; Kozhevnikov, Victor L.

    2013-01-15

    Structural features, oxygen non-stoichiometry and transport properties are studied in the oxide series SrFe{sub 1-x}Ta{sub x}O{sub 3-{delta}}, where x=0.2, 0.3 and 0.4. X-ray diffraction and electron microscopy data evidence formation of the inhomogeneous materials at x=0.3 and 0.4, which include phase constituents with a cubic perovskite and a double perovskite structure types. The composition, the amount and the typical grain size of the phase inhomogeneities are shown to depend both on doping and oxygen content. The increased oxygen-ion conductivity is observed in oxygen depleted materials, which is explained by the increase in the amount of cubic perovskite-like phase and development of interfacial pathways favorable for enhanced oxygen ion transport. - Graphical abstract: The structural studies, oxygen content and conductivity measurements suggest that oxygen depletion from the double perovskite phase constituent of SrFe{sub 1-x}Ta{sub x}O{sub 3-{delta}} for x>0.2 is accompanied by formation of pathways for fast ion transport. Black-Small-Square Highlights: Black-Right-Pointing-Pointer The double perovskite type regions are shown to exist in SrFe{sub 1-x}Ta{sub x}O{sub 3-{delta}}. Black-Right-Pointing-Pointer The oxygen depletion is accompanied with phase separation. Black-Right-Pointing-Pointer The phase separation favors formation of pathways for enhanced oxygen ion transport.

  20. Structural investigations on Co{sub 3-x}Mn{sub x}TeO{sub 6}; (0 < x ? 2); High temperature ferromagnetism and enhanced low temperature anti-ferromagnetism

    SciTech Connect (OSTI)

    Singh, Harishchandra; Sinha, A. K. E-mail: hng@rrcat.gov.in; Ghosh, Haranath E-mail: hng@rrcat.gov.in; Singh, M. N.; Rajput, Parasmani; Prajapat, C. L.; Singh, M. R.; Ravikumar, G.

    2014-08-21

    In the quest of materials with high temperature ferromagnetism and low temperature anti-ferromagnetism, we prepare Co{sub 3-x}Mn{sub x}TeO{sub 6}; (0?structural investigations on these solid solutions as a function of Mn concentration using Synchrotron X-ray diffraction (SXRD) and X-ray absorption near edge structure measurements in corroboration with magnetism are presented. Phase diagram obtained from Rietveld Refinement on SXRD data as a function of Mn concentration indicates doping disproportionate mixing of both monoclinic (C2/c) and rhombohedral (R 3{sup }) structure for x?structure for x???0.5. Further, it shows increase in both lattice parameters as well as average transition metal-oxygen (Co/Mn-O) bond lengths for x???0.5. Co and Mn K-edge XANES spectra reveal that both Co and Mn are in mixed oxidation state, Co{sup 2+}/Mn{sup 2+} and Co{sup 3+}/Mn{sup 3+}. Relative ratios of Co{sup 3+}/Co{sup 2+} and Mn{sup 3+}/Mn{sup 2+} obtained using Linear combination fit decrease with increasing x (for x???0.5). These structural and spectroscopic evidences are used to provide possible interpretation of the observed paramagnetic to ferromagnetic transition at around 185?K followed by an enhanced antiferromagnetic transition ?45?K for x?=?0.5.

  1. Fabrication and characterization of Al{sub 2}O{sub 3} /Si composite nanodome structures for high efficiency crystalline Si thin film solar cells

    SciTech Connect (OSTI)

    Zhang, Ruiying; Zhu, Jian; Zhang, Zhen; Wang, Yanyan; Qiu, Bocang; Liu, Xuehua; Zhang, Jinping; Zhang, Yi; Fang, Qi; Ren, Zhong; Bai, Yu

    2015-12-15

    We report on our fabrication and characterization of Al{sub 2}O{sub 3}/Si composite nanodome (CND) structures, which is composed of Si nanodome structures with a conformal cladding Al{sub 2}O{sub 3} layer to evaluate its optical and electrical performance when it is applied to thin film solar cells. It has been observed that by application of Al{sub 2}O{sub 3}thin film coating using atomic layer deposition (ALD) to the Si nanodome structures, both optical and electrical performances are greatly improved. The reflectivity of less than 3% over the wavelength range of from 200 nm to 2000 nm at an incident angle from 0° to 45° is achieved when the Al{sub 2}O{sub 3} film is 90 nm thick. The ultimate efficiency of around 27% is obtained on the CND textured 2 μm-thick Si solar cells, which is compared to the efficiency of around 25.75% and 15% for the 2 μm-thick Si nanodome surface-decorated and planar samples respectively. Electrical characterization was made by using CND-decorated MOS devices to measure device’s leakage current and capacitance dispersion. It is found the electrical performance is sensitive to the thickness of the Al{sub 2}O{sub 3} film, and the performance is remarkably improved when the dielectric layer thickness is 90 nm thick. The leakage current, which is less than 4x10{sup −9} A/cm{sup 2} over voltage range of from -3 V to 3 V, is reduced by several orders of magnitude. C-V measurements also shows as small as 0.3% of variation in the capacitance over the frequency range from 10 kHz to 500 kHz, which is a strong indication of surface states being fully passivated. TEM examination of CND-decorated samples also reveals the occurrence of SiO{sub x} layer formed between the interface of Si and the Al{sub 2}O{sub 3} film, which is thin enough that ensures the presence of field-effect passivation, From our theoretical and experimental study, we believe Al{sub 2}O{sub 3} coated CND structures is a truly viable approach to achieving higher device

  2. Small angle neutron scattering analyses and high temperature mechanical properties of nano-structured oxide dispersion strengthened steels produced via cryomilling

    SciTech Connect (OSTI)

    Kim, Jeoung Han; Byun, Thak Sang; Shin, Eunjoo; Seol, Jae-Bok; Young, Sung; Reddy, N. S.

    2015-08-17

    Three oxide dispersion-strengthened (ODS) steels are produced in order to investigate the effect of the mechanical alloying (MA) temperature on the microstructural evolution and high temperature mechanical properties. The microstructural evolution with different MA conditions is examined using small angle neutron scattering. As the MA temperature decreases, the density of the nanoclusters below 10 nm increases and their mean diameter decreases. A low temperature during MA leads to a high strength in the compression tests performed at 500 *C; however, this effect disappears in testing at 900 *C. The milling process at *70 *C exhibits excellent high fracture toughness, which is better than the benchmark material 14YWT-SM10. However, the *150 *C milling process results in significantly worse fracture toughness properties. The reasons for this strong temperature dependency are discussed.

  3. Development of improved processing and evaluation methods for high reliability structural ceramics for advanced heat engine applications Phase II. Final report

    SciTech Connect (OSTI)

    Pujari, V.J.; Tracey, D.M.; Foley, M.R.

    1996-02-01

    The research program had as goals the development and demonstration of significant improvements in processing methods, process controls, and nondestructive evaluation (NDE) which can be commercially implemented to produce high reliability silicon nitride components for advanced heat engine applications at temperatures to 1370{degrees}C. In Phase I of the program a process was developed that resulted in a silicon nitride - 4 w% yttria HIP`ed material (NCX 5102) that displayed unprecedented strength and reliability. An average tensile strength of 1 GPa and a strength distribution following a 3-parameter Weibull distribution were demonstrated by testing several hundred buttonhead tensile specimens. The Phase II program focused on the development of methodology for colloidal consolidation producing green microstructure which minimizes downstream process problems such as drying, shrinkage, cracking, and part distortion during densification. Furthermore, the program focused on the extension of the process to gas pressure sinterable (GPS) compositions. Excellent results were obtained for the HIP composition processed for minimal density gradients, both with respect to room-temperature strength and high-temperature creep resistance. Complex component fabricability of this material was demonstrated by producing engine-vane prototypes. Strength data for the GPS material (NCX-5400) suggest that it ranks very high relative to other silicon nitride materials in terms of tensile/flexure strength ratio, a measure of volume quality. This high quality was derived from the closed-loop colloidal process employed in the program.

  4. Biochemical and structural characterizations of two Dictyostelium cellobiohydrolases from the amoebozoa kingdom reveal a high level of conservation between distant phylogenetic trees of life

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

    Hobdey, Sarah E.; Knott, Brandon C.; Momeni, Majid Haddad; Taylor, II, Larry E.; Borisova, Anna S.; Podkaminer, Kara K.; VanderWall, Todd A.; Himmel, Michael E.; Decker, Stephen R.; Beckham, Gregg T.; et al

    2016-04-01

    Glycoside hydrolase family 7 (GH7) cellobiohydrolases (CBHs) are enzymes often employed in plant cell wall degradation across eukaryotic kingdoms of life, as they provide significant hydrolytic potential in cellulose turnover. To date, many fungal GH7 CBHs have been examined, yet many questions regarding structure-activity relationships in these important natural and commercial enzymes remain. Here, we present the crystal structures and a biochemical analysis of two GH7 CBHs from social amoeba: Dictyostelium discoideum Cel7A (DdiCel7A) and Dictyostelium purpureum Cel7A (DpuCel7A). DdiCel7A and DpuCel7A natively consist of a catalytic domain and do not exhibit a carbohydrate-binding module (CBM). The structures of DdiCel7Amore » and DpuCel7A, resolved to 2.1 Å and 2.7 Å, respectively, are homologous to those of other GH7 CBHs with an enclosed active-site tunnel. Two primary differences between the Dictyostelium CBHs and the archetypal model GH7 CBH, Trichoderma reesei Cel7A (TreCel7A), occur near the hydrolytic active site and the product-binding sites. To compare the activities of these enzymes with the activity of TreCel7A, the family 1 TreCel7A CBM and linker were added to the C terminus of each of the Dictyostelium enzymes, creating DdiCel7ACBM and DpuCel7ACBM, which were recombinantly expressed in T. reesei. DdiCel7ACBM and DpuCel7ACBM hydrolyzed Avicel, pretreated corn stover, and phosphoric acid-swollen cellulose as efficiently as TreCel7A when hydrolysis was compared at their temperature optima. The Ki of cellobiose was significantly higher for DdiCel7ACBM and DpuCel7ACBM than for TreCel7A: 205, 130, and 29 μM, respectively. Finally, taken together, the present study highlights the remarkable degree of conservation of the activity of these key natural and industrial enzymes across quite distant phylogenetic trees of life.« less

  5. Biochemical and Structural Characterization of Two Dictyostelium Cellobiohydrolases from the Amoebozoa Kingdom Reveal a High Level of Conservation Between Distant Phylogenetic Trees of Life

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

    Hobdey, Sarah E.; Knott, Brandon C.; Momeni, Majid Haddad; Taylor, II, Larry E.; Borisova, Anna S.; Podkaminer, Kara K.; VanderWall, Todd A.; Himmel, Michael E.; Decker, Stephen R.; Beckham, Gregg T.; et al

    2016-06-01

    Glycoside Hydrolase Family 7 (GH7) cellobiohydrolases (CBHs) are commonly employed enzymes in plant cell wall degradation across eukaryotic kingdoms of life, as they provide significant hydrolytic potential in cellulose turnover. To date, many fungal GH7 CBHs have been examined, yet many questions remain regarding structure-activity relationships in these important natural and commercial enzymes. Here, we present crystal structures and biochemical analysis of two GH7 CBHs from social amoeba: Dictyostelium discoideum and Dictyostelium purpureum (DdiCel7A and DpuCel7A, respectively). DdiCel7A and DpuCel7A natively consist of a catalytic domain and do not exhibit a carbohydrate-binding module (CBM). The structures, resolved to 2.1 Amore » (DdiCel7A), and 2.7 A (DpuCel7A), are homologous to other GH7 CBHs with an enclosed active site tunnel. Two primary differences between the Dictyostelium CBHs and the archetypal model GH7 CBH from Trichoderma reesei Cel7A (TreCel7A) occur near the hydrolytic active site and the product binding sites. To compare the activity of these enzymes with TreCel7A, the Family 1 TreCel7A CBM and linker was added to the C-terminus of the Dictyostelium enzymes, DdiCel7ACBM and DpuCel7ACBM, which were recombinantly expressed in T. reesei. DdiCel7ACBM and DpuCel7ACBM hydrolyze Avicel, pretreated corn stover, and phosphoric acid swollen cellulose as efficiently as TreCel7A when compared at their temperature optima. The Ki of cellobiose is significantly higher for DdiCel7ACBM and DpuCel7ACBM than for TreCel7A: 205, 130, and 29 uM, respectively. Taken together, the present study highlights the remarkable conservation in the activity of these key natural and industrial enzymes across quite distant phylogenetic trees of life.« less

  6. Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus

    SciTech Connect (OSTI)

    Hawwa, Renda; Aikens, John; Turner, Robert J.; Santarsiero, Bernard D.; Mescar, Andrew D.

    2009-08-31

    A new enzyme homologous to phosphotriesterase was identified from the bacterium Geobacillus stearothermophilus (GsP). This enzyme belongs to the amidohydrolase family and possesses the ability to hydrolyze both lactone and organophosphate (OP) compounds, making it a phosphotriesterase-like lactonase (PLL). GsP possesses higher OP-degrading activity than recently characterized PLLs, and it is extremely thermostable. GsP is active up to 100 C with an energy of activation of 8.0 kcal/mol towards ethyl paraoxon, and it can withstand an incubation temperature of 60 C for two days. In an attempt to understand the thermostability of PLLs, the X-ray structure of GsP was determined and compared to those of existing PLLs. Based upon a comparative analysis, a new thermal advantage score and plot was developed and reveals that a number of different factors contribute to the thermostability of PLLs.

  7. Neutron reflecting supermirror structure

    DOE Patents [OSTI]

    Wood, James L.

    1992-01-01

    An improved neutron reflecting supermirror structure comprising a plurality of stacked sets of bilayers of neutron reflecting materials. The improved neutron reflecting supermirror structure is adapted to provide extremely good performance at high incidence angles, i.e. up to four time the critical angle of standard neutron mirror structures. The reflection of neutrons striking the supermirror structure at a high critical angle provides enhanced neutron throughput, and hence more efficient and economical use of neutron sources. One layer of each set of bilayers consist of titanium, and the second layer of each set of bilayers consist of an alloy of nickel with carbon interstitially present in the nickel alloy.

  8. Effect of Corrosion Film Composition and Structure on the Corrosion Kinetics of Ni-Cr-Fe Alloys in High Temperature Water

    SciTech Connect (OSTI)

    P.M. Rosecrans; N. Lewis; D.J. Duquette

    2002-02-27

    Nickel alloys such as Alloy 600 undergo Stress Corrosion Cracking (SCC) in pure water at temperatures between about 260 C and the critical point. Increasing the level of Cr in Ni-Fe-Cr alloys increases SCC resistance in aerated and deaerated water. The mechanism is not understood. The effect of Cr composition on oxide microstructure and corrosion kinetics of Ni-Fe-Cr alloys was determined experimentally, to evaluate whether the anodic dissolution model for SCC can account for the effect of Cr on SCC. The alloy corrosion rate and corrosion product oxide microstructure is strongly influenced by the Cr composition. Corrosion kinetics are parabolic and influenced by chromium concentration, with the parabolic constant first increasing then decreasing as Cr increases from 5 to 39%. Surface analyses using Analytical Electron microscopy (AEM) and Auger Electron Spectroscopy (AES) show that the corrosion product film that forms initially on all alloys exposed to high purity high temperature water is a nickel rich oxide. With time, the amount of chromium in the oxide film increases and corrosion proceeds toward the formation of the more thermodynamically stable spinel or hexagonal Cr-rich oxides, similar to high temperature gaseous oxidation. Due to the slower diffusion kinetics at the temperatures of water corrosion compared to those in high temperature gaseous oxidation, however, the films remain as a mixture of NiO, mixed Ni, Fe and Cr spinels, NiCrO{sub 3} and FeCrO{sub 3}. As the amount of Cr in the film increases and the nature of the film changes from NiO to spinel or hexagonal oxides, cation diffusion through the films slows, slowing the corrosion rate. These observations are qualitatively consistent with an anodic dissolution SCC mechanism. However, parametric modeling of the SCC growth process, applying available creep, oxide rupture strain and corrosion kinetics data, indicates that the anodic dissolution mechanism accounts for only a fraction of the effect of Cr

  9. Structure tracking aided design and synthesis of Li3V2(PO4)3 nanocrystals as high-power cathodes for lithium ion batteries

    SciTech Connect (OSTI)

    Wang, Liping; Bai, Jianming; Gao, Peng; Wang, Xiaoya; Looney, J. Patrick; Wang, Feng

    2015-07-30

    In this study, preparing new electrode materials with synthetic control of phases and electrochemical properties is desirable for battery applications but hardly achievable without knowing how the synthesis reaction proceeds. Herein, we report on structure tracking-aided design and synthesis of single-crystalline Li3V2(PO4)3 (LVP) nanoparticles with extremely high rate capability. A comprehensive investigation was made to the local structural orderings of the involved phases and their evolution toward forming LVP phase using in situ/ex situ synchrotron X-ray and electron-beam diffraction, spectroscopy, and imaging techniques. The results shed light on the thermodynamics and kinetics of synthesis reactions and enabled the design of a cost-efficient synthesis protocol to make nanocrystalline LVP, wherein solvothermal treatment is a crucial step leading to an amorphous intermediate with local structural ordering resembling that of LVP, which, upon calcination at moderate temperatures, rapidly transforms into the desired LVP phase. The obtained LVP particles are about 50 nm, coated with a thin layer of amorphous carbon and featured with excellent cycling stability and rate capability – 95% capacity retention after 200 cycles and 66% theoretical capacity even at a current rate of 10 C. The structure tracking based method we developed in this work offers a new way of designing battery electrodes with synthetic control of material phases and properties.

  10. STRUCtural Simulator

    Energy Science and Technology Software Center (OSTI)

    2004-07-01

    STRUC-ANL is a derivative of the FLUSTR-ANL finite element code. It contains only the structural capabilities of the original fluid-structural FLUSTR code.

  11. Structural Materials

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

    Structural Materials Development enables advanced technologies through the discovery, development, and demonstration of cost-effective advanced structural materials for use in ...

  12. Cost effective machining and inspection of structural ceramic components for advanced high temperature application. Final CRADA report for CRADA number Y-1292-0151

    SciTech Connect (OSTI)

    Abbatiello, L.A.; Haselkorn, M.

    1996-11-29

    This Cooperative Research and Development Agreement (CRADA) was a mutual research and development (R and D) effort among the participants to investigate a range of advanced manufacturing technologies for two silicon nitride (Si{sub 3}N{sub 4}) ceramic materials. The general objective was to identify the most cost-effective part manufacturing processes for the ceramic materials of interest. The focus was determining the relationship between material removal rates, surface quality, and the structural characteristics of each ceramic resulting from three innovative processes. These innovated machining processes were studied using silicon nitride advanced materials. The particular (Si{sub 3}N{sub 4}) materials of interest were sintered GS-44 from the Norton Company, and reaction-bonded Ceraloy 147-3. The processes studied included the following activities: (1) direct laser machining; (2) rotary ultrasonic machining; and (3) diamond abrasive grinding, including both resinoid and vitreous-bonded grinding wheels. Both friable and non-friable diamond types were included within the abrasive grinding study. The task also conducted a comprehensive survey of European experience in use of ceramic materials, principally aluminum oxide. Originally, the effort of this task was to extend through a prototype manufacturing demonstration of selected engine components. During the execution of this program, however changes were made to the scope of the project, altering the goals. The Program goal became only the development of assessment of their impacts on product strength and surface condition.

  13. Hyperfine structure and magnetic properties of Zn doped Co{sub 2}Z hexaferrite investigated by high-field Mössbauer spectroscopy

    SciTech Connect (OSTI)

    Lim, Jung Tae; Kim, Chul Sung

    2015-05-07

    The polycrystalline samples of Ba{sub 3}Co{sub 2−x}Zn{sub x}Fe{sub 24}O{sub 41} (x = 0.0, 0.5, 1.0, 1.5, and 2.0) were synthesized by the standard solid-state-reaction method. Based on the XRD patterns analyzed by Rietveld refinement, the structure was determined to be single-phased hexagonal with space group of P6{sub 3}/mmc. With increasing Zn ion concentration, the unit cell volume (V{sub u}) of samples was increased, as the sites of Fe{sup 3+} ions changed from tetrahedral to octahedral sites. We have obtained zero-field Mössbauer spectra of all samples at various temperatures ranging from 4.2 to 750 K. The measured spectra below T{sub C} were analyzed with six distinguishable sextets due to the superposition of ten-sextets for Fe sites, corresponding to the Z-type hexagonal ferrite. Also, the hyperfine field (H{sub hf}) and electric quadrupole shift (E{sub Q}) have shown abrupt changes around spin transition temperature (T{sub S}). In addition, Mössbauer spectra of all samples at 4.2 K were taken with an applied field ranging from 0 to 50 kOe, which indicates the decrease in the canting angle between applied field and H{sub hf} of samples with increasing Zn concentration.

  14. The origin of unequal bond lengths in the C1B2 state of SO2: Signatures of high-lying potential energy surface crossings in the low-lying vibrational structure

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

    Park, G. Barratt; Jiang, Jun; Field, Robert W.

    2016-04-14

    Here the C1B2 state of SO2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. The asymmetry in the potential energy surface is expressed as a staggering in the energy levels of the v'3 progression. We have recently made the first observation of low-lying levels with odd quanta of v'3, which allows us--in the current work--to characterize the origins of the level staggering. Our work demonstrates the usefulness of low-lying vibrational level structure, where the character of the wavefunctions can be relatively easily understood, to extract information about dynamicallymore » important potential energy surface crossings that occur at much higher energy. The measured staggering pattern is consistent with a vibronic coupling model for the double-minimum, which involves direct coupling to the bound 2 1A1 state and indirect coupling with the repulsive 3 1A1 state. The degree of staggering in the v'3 levels increases with quanta of bending excitation, which is consistent with the approach along the C state potential energy surface to a conical intersection with the 2 1A1 surface at a bond angle of ~145°.« less

  15. Mechanisms of structural evolutions associated with the high current pulsed electron beam treatment of a NiTi shape memory alloy

    SciTech Connect (OSTI)

    Zhang, K. M.; Zou, J. X.; Grosdidier, T.; Gey, N.; Weber, S.; Yang, D. Z.; Dong, C. [School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China) and State Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Dalian 116024 (China); School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); State Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Dalian 116024 (China); and Laboratoire d'Etude des Textures et Applications aux Materiaux (LETAM, UMR-CNRS 7078), Universite Paul Verlaine de Metz, Ile du Saulcy, 57012 Metz (France); Laboratoire d'Etude des Textures et Applications aux Materiaux (LETAM, UMR-CNRS 7078), Universite Paul Verlaine de Metz, Ile du Saulcy, 57012 Metz (France); Laboratoire de Physique des Materiaux (LPM, UMR-CNRS 7556), Ecole des Mines, Parc de Saurupt, 54042 Nancy (France); School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China) and State Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Dalian 116024 (China)

    2007-01-15

    The aim of this study was to investigate, for the first time, the surface modifications associated with the use the recently developed high current pulsed electron beam technique for modifying the surface of an intermetallic NiTi alloy. Samples were treated with the same electron beam parameters but different numbers of pulses (i.e., five and ten pulses) and the present article concentrates on a detailed characterization of their texture and microstructure modifications. The observation of surface features such as craters, wavy surfaces with protrusions, chemistry modifications, and the development of specific texture components are discussed as the consequence of the combination of surface melting and evaporation mechanisms. It is also shown that in the subsurface, below the melted layer, the martensitic transformation was triggered due to the effects of the thermal stresses and shock waves propagating in the material.

  16. Development of improved processing and evaluation methods for high reliability structural ceramics for advanced heat engine applications, Phase 1. Final report

    SciTech Connect (OSTI)

    Pujari, V.K.; Tracey, D.M.; Foley, M.R.; Paille, N.I.; Pelletier, P.J.; Sales, L.C.; Wilkens, C.A.; Yeckley, R.L.

    1993-08-01

    The program goals were to develop and demonstrate significant improvements in processing methods, process controls and non-destructive evaluation (NDE) which can be commercially implemented to produce high reliability silicon nitride components for advanced heat engine applications at temperatures to 1,370{degrees}C. The program focused on a Si{sub 3}N{sub 4}-4% Y{sub 2}O{sub 3} high temperature ceramic composition and hot-isostatic-pressing as the method of densification. Stage I had as major objectives: (1) comparing injection molding and colloidal consolidation process routes, and selecting one route for subsequent optimization, (2) comparing the performance of water milled and alcohol milled powder and selecting one on the basis of performance data, and (3) adapting several NDE methods to the needs of ceramic processing. The NDE methods considered were microfocus X-ray radiography, computed tomography, ultrasonics, NMR imaging, NMR spectroscopy, fluorescent liquid dye penetrant and X-ray diffraction residual stress analysis. The colloidal consolidation process route was selected and approved as the forming technique for the remainder of the program. The material produced by the final Stage II optimized process has been given the designation NCX 5102 silicon nitride. According to plan, a large number of specimens were produced and tested during Stage III to establish a statistically robust room temperature tensile strength database for this material. Highlights of the Stage III process demonstration and resultant database are included in the main text of the report, along with a synopsis of the NCX-5102 aqueous based colloidal process. The R and D accomplishments for Stage I are discussed in Appendices 1--4, while the tensile strength-fractography database for the Stage III NCX-5102 process demonstration is provided in Appendix 5. 4 refs., 108 figs., 23 tabs.

  17. The effects of high temperature processing on the structural and optical properties of oxygenated CdS window layers in CdTe solar cells

    SciTech Connect (OSTI)

    Paudel, Naba R.; Grice, Corey R.; Xiao, Chuanxiao; Yan, Yanfa

    2014-07-28

    High efficiency CdTe solar cells typically use oxygenated CdS (CdS:O) window layers. We synthesize CdS:O window layers at room temperature (RT) and 270 °C using reactive sputtering. The band gaps of CdS:O layers deposited at RT increase when O{sub 2}/(O{sub 2} + Ar) ratios in the deposition chamber increase. On the other hand, the band gaps of CdS:O layers deposited at 270 °C decrease as the O{sub 2}/(O{sub 2} + Ar) ratios increase. Interestingly, however, our high temperature closed-space sublimation (CSS) processed CdTe solar cells using CdS:O window layers deposited at RT and 270 °C exhibit very similar cell performance, including similar short-circuit current densities. To understand the underlying reasons, CdS:O thin films deposited at RT and 270 °C are annealed at temperatures that simulate the CSS process of CdTe deposition. X-ray diffraction, atomic force microscopy, and UV-visible light absorption spectroscopy characterization of the annealed films reveals that the CdS:O films deposited at RT undergo grain regrowth and/or crystallization and exhibit reduced band gaps after the annealing. Our results suggest that CdS:O thin films deposited at RT and 270 °C should exhibit similar optical properties after the deposition of CdTe layers, explaining the similar cell performance.

  18. Calcium silicate insulation structure

    DOE Patents [OSTI]

    Kollie, Thomas G.; Lauf, Robert J.

    1995-01-01

    An insulative structure including a powder-filled evacuated casing utilizes a quantity of finely divided synthetic calcium silicate having a relatively high surface area. The resultant structure-provides superior thermal insulating characteristics over a broad temperature range and is particularly well-suited as a panel for a refrigerator or freezer or the insulative barrier for a cooler or a insulated bottle.

  19. Effect of oxygen incorporation on the structure and elasticity of Ti-Al-O-N coatings synthesized by cathodic arc and high power pulsed magnetron sputtering

    SciTech Connect (OSTI)

    Hans, M. Baben, M. to; Music, D.; Ebenhch, J.; Schneider, J. M.; Primetzhofer, D.; Kurapov, D.; Arndt, M.; Rudigier, H.

    2014-09-07

    Ti-Al-O-N coatings were synthesized by cathodic arc and high power pulsed magnetron sputtering. The chemical composition of the coatings was determined by means of elastic recoil detection analysis and energy dispersive X-ray spectroscopy. The effect of oxygen incorporation on the stress-free lattice parameters and Young's moduli of Ti-Al-O-N coatings was investigated by X-ray diffraction and nanoindentation, respectively. As nitrogen is substituted by oxygen, implications for the charge balance may be expected. A reduction in equilibrium volume with increasing O concentration is identified by X-ray diffraction and density functional theory calculations of Ti-Al-O-N supercells reveal the concomitant formation of metal vacancies. Hence, the oxygen incorporation-induced formation of metal vacancies enables charge balancing. Furthermore, nanoindentation experiments reveal a decrease in elastic modulus with increasing O concentration. Based on ab initio data, two causes can be identified for this: First, the metal vacancy-induced reduction in elasticity; and second, the formation of, compared to the corresponding metal nitride bonds, relatively weak Ti-O and Al-O bonds.

  20. Controlling Graphene's Electronic Structure

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

    Controlling Graphene's Electronic Structure Controlling Graphene's Electronic Structure Print Wednesday, 25 April 2007 00:00 Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has enormous potential for use in ultrafast electronic transistors. It exhibits high conductivity and an anomalous quantum Hall effect (a phenomenon exhibited by certain semiconductor devices at low temperatures and high magnetic fields). Among its novel properties, graphene's

  1. GaInNAs Structures Grown by MBE for High-Efficiency Solar Cells: Final Report; 25 June 1999--24 August 2002

    SciTech Connect (OSTI)

    Tu, C. W.

    2003-08-01

    The focus of this work is to improve the quality of GaInNAs by advanced thin-film growth techniques, such as digital-alloy growth techniques and migration-enhanced epitaxy (MEE). The other focus is to further investigate the properties of such materials, which are potentially beneficial for high-efficiency, multijunction solar cells. 400-nm-thick strain-compensated Ga0.92In0.08As/GaN0.03As0.97 short-period superlattices (SPSLs) are grown lattice-matched to GaAs substrates. The photoluminescence (PL) intensity of digital alloys is 3 times higher than that of random alloys at room temperature, and the improvement is even greater at low temperature, by a factor of about 12. The room-temperature PL intensity of the GaInNAs quantum well grown by the strained InAs/GaN0.023As SPSL growth mode is higher by a factor 5 as compare to the continuous growth mode. The SPSL growth method allows for independent adjustment of the In-to-Ga ratio without group III competition. MEE reduces the low-energy tail of PL, and PL peaks become more intense and sharper. The twin peaks photoluminescence of GaNAs grown on GaAs was observed at room temperature. The peaks splitting increase with increase in nitrogen alloy content. The strain-induced splitting of light-hole and heavy-hole bands of tensile-strained GaNAs is proposed as an explanation of such behavior.

  2. Correlating High Power Conversion Efficiency of PTB7:PC71BM Inverted Organic Solar Cells with Nanoscale Structures

    SciTech Connect (OSTI)

    Das, Sanjib; Keum, Jong Kahk; Browning, Jim; Gu, Gong; Yang, Bin; Do, Changwoo; Chen, Wei; Chen, Jihua; Ivanov, Ilia N; Hong, Kunlun; Rondinone, Adam J.; Joshi, Pooran C.; Geohegan, David B.; Xiao, Kai

    2015-07-16

    Advances in materials design and device engineering led to inverted organic solar cells (i-OSCs) with superior power conversion efficiencies (PCEs) to their conventional counterparts, in addition to the well-known better ambient stability. Despite the significant progress, however, it has so far been unclear how the morphologies of the photoactive layer and its interface with the cathode modifying layer impact device performance. Here, we report an in-depth morphology study of the i-OSC active and cathode modifying layers, employing a model system with the well-established bulk-heterojunction, PTB7:PC71BM as the active layer and poly-[(9,9-bis(3 -(N,N-dimethylamino)propyl)-2,7-fluorene)-alt-2,7-(9,9-dioctylfluorene)] (PFN) as the cathode surface modifying layer. We have also identified the role of a processing additive, 1,8-diiodooctane (DIO), used in the spin-casting of the active layer to increase PCE. Using a variety of characterization techniques, we demonstrate that the high PCEs of i-OSCs are due to the smearing (diffusion) of electron-accepting PC71BM into the PFN layer, resulting in improved electron transport. The PC71BM diffusion occurs after spin-casting the active layer onto the PFN layer, when residual solvent molecules act as a plasticizer. The DIO additive, with a higher boiling point than the host solvent, has a longer residence time in the spin-cast active layer, resulting in more PC71BM smearing and therefore more efficient electron transport. This work provides important insight and guidance to further enhancement of i-OSC performance by materials and interface engineering.

  3. High-pressure synthesis and crystal structures of the strontium oxogallates Sr{sub 2}Ga{sub 2}O{sub 5} and Sr{sub 5}Ga{sub 6}O{sub 14}

    SciTech Connect (OSTI)

    Kahlenberg, Volker; Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela

    2015-08-15

    High-pressure synthesis experiments in a piston–cylinder apparatus at 1.5 GPa/3.0 GPa and 1000 °C resulted in the formation of single-crystals of Sr{sub 2}Ga{sub 2}O{sub 5} and Sr{sub 5}Ga{sub 6}O{sub 14}, respectively. The structures of both compounds have been solved from single-crystal diffraction data sets using direct methods. The first compound is orthorhombic with space group type Pbca (a=10.0021(4) Å, b=9.601(4) Å, c=10.6700(4) Å, V=1024.6(4) Å{sup 3}, M{sub r}=394.68 u, Z=8, D{sub x}=5.12 g/cm{sup 3}) and belongs to the group of single layer gallates. Individual sheets are parallel to (0 0 1) and can be built from the condensation of unbranched vierer single chains running along [0 1 0]. The layers are characterized by the presence of four- and strongly elliptical eight-membered rings of corner connected tetrahedra in UUDD and UUUUDDDD conformation. Strontium atoms are sandwiched between the tetrahedral layers for charge compensation and are coordinated by six and seven oxygen ligands, respectively. Sr{sub 2}Ga{sub 2}O{sub 5} is isotypic with several other double sulfides and selenides. To the best of our knowledge, it is the first example of an oxide with this structure type. From a structural point of view, Sr{sub 5}Ga{sub 6}O{sub 14} is a phyllogallate as well. The crystal structure adopts the monoclinic space group P2{sub 1}/c (a=8.1426(3) Å, b=8.1803(3) Å, c=10.8755(4) Å, β=91.970(4)° V=723.98(5) Å{sup 3}, M{sub r}=1080.42 u, Z=2, D{sub x}=4.96 g/cm{sup 3}). Individual sheets extend along (0 0 1). Basic building units are unbranched dreier single chains parallel to [1 0 0]. The layers contain tertiary (Q{sup 3}) und quaternary (Q{sup 4}) connected [GaO{sub 4}]-tetrahedra in the ratio 2:1 resulting in a Ga:O ratio of 3:7 and the formation of exclusively five-membered rings. Linkage between adjacent tetrahedral sheets is provided by three symmetrically independent strontium ions which are surrounded by six to eight oxygen atoms. The layers

  4. Investigation of high hole mobility In{sub 0.41}Ga{sub 0.59}Sb/Al{sub 0.91}Ga{sub 0.09}Sb quantum well structures grown by molecular beam epitaxy

    SciTech Connect (OSTI)

    Wang, Juan; Xing, Jun-Liang; Xiang, Wei; Wang, Guo-Wei; Xu, Ying-Qiang; Ren, Zheng-Wei; Niu, Zhi-Chuan

    2014-02-03

    Modulation-doped In{sub 0.41}Ga{sub 0.59}Sb/Al{sub 0.91}Ga{sub 0.09}Sb quantum-well (QW) structures were grown by molecular beam epitaxy. Cross-sectional transmission electron microscopy and atomic force microscopy studies show high crystalline quality and smooth surface morphology. X-ray diffraction investigations confirm 1.94% compressive strain within In{sub 0.41}Ga{sub 0.59}Sb channel. High room temperature hole mobility with high sheet density of 1000 cm{sup 2}/Vs, 0.877??10{sup 12}/cm{sup 2}, and 965 cm{sup 2}/Vs, 1.112??10{sup 12}/cm{sup 2} were obtained with different doping concentrations. Temperature dependent Hall measurements show different scattering mechanisms on hole mobility at different temperature range. The sheet hole density keeps almost constantly from 300?K to 77?K. This study shows great potential of In{sub 0.41}Ga{sub 0.59}Sb/Al{sub 0.91}Ga{sub 0.09}Sb QW for high-hole-mobility device applications.

  5. Insight into the Atomic Structure of High-Voltage Spinel LiNi0.5Mn1.5O4 Cathode Material in the First Cycle

    SciTech Connect (OSTI)

    Huang, Xuejie; Yu, Xiqian; Lin, Mingxiang; Ben, Liubin; Sun, Yang; Wang, Hao; Yang, Zhenzhong; Gu, Lin; Yang, Xiao -Qing; Zhao, Haofei; Yu, Richeng; Armand, Michel

    2014-12-22

    Application of high-voltage spinel LiNi0.5Mn1.5O4 cathode material is the closest and the most realistic approach to meeting the midterm goal of lithium-ion batteries for electric vehicles (EVs) and plug-in hybrid electric vehicles (HEVs). However, this application has been hampered by long-standing issues, such as capacity degradation and poor first-cycle Coulombic efficiency of LiNi0.5Mn1.5O4 cathode material. Although it is well-known that the structure of LiNi0.5Mn1.5O4 into which Li ions are reversibly intercalated plays a critical role in the above issues, performance degradation related to structural changes, particularly in the first cycle, are not fully understood. Here, we report detailed investigations of local atomic-level and average structure of LiNi0.5Mn1.5O4 during first cycle (3.5–4.9 V) at room temperature. We observed two types of local atomic-level migration of transition metals (TM) ions in the cathode of a well-prepared LiNi0.5Mn1.5O4//Li half-cell during first charge via an aberration-corrected scanning transmission electron microscopy (STEM). Surface regions (~2 nm) of the cycled LiNi0.5Mn1.5O4 particles show migration of TM ions into tetrahedral Li sites to form a Mn3O4-like structure. However, subsurface regions of the cycled particles exhibit migration of TM ions into empty octahedral sites to form a rocksalt-like structure. The migration of these TM ions are closely related to dissolution of Ni/Mn ions and building-up of charge transfer impedance, which contribute significantly to the capacity degradation and the poor first-cycle Coulombic efficiency of spinel LiNi0.5Mn1.5O4 cathode material. Accordingly, we provide suggestions of effective stabilization of LiNi0.5

  6. Insight into the Atomic Structure of High-Voltage Spinel LiNi0.5Mn1.5O4 Cathode Material in the First Cycle

    SciTech Connect (OSTI)

    Huang, Xuejie; Yu, Xiqian; Lin, Mingxiang; Ben, Liubin; Sun, Yang; Wang, Hao; Yang, Zhenzhong; Gu, Lin; Yang, Xiao -Qing; Zhao, Haofei; Yu, Richeng; Armand, Michel

    2014-12-22

    Application of high-voltage spinel LiNi0.5Mn1.5O4 cathode material is the closest and the most realistic approach to meeting the midterm goal of lithium-ion batteries for electric vehicles (EVs) and plug-in hybrid electric vehicles (HEVs). However, this application has been hampered by long-standing issues, such as capacity degradation and poor first-cycle Coulombic efficiency of LiNi0.5Mn1.5O4 cathode material. Although it is well-known that the structure of LiNi0.5Mn1.5O4 into which Li ions are reversibly intercalated plays a critical role in the above issues, performance degradation related to structural changes, particularly in the first cycle, are not fully understood. Here, we report detailed investigations of local atomic-level and average structure of LiNi0.5Mn1.5O4 during first cycle (3.54.9 V) at room temperature. We observed two types of local atomic-level migration of transition metals (TM) ions in the cathode of a well-prepared LiNi0.5Mn1.5O4//Li half-cell during first charge via an aberration-corrected scanning transmission electron microscopy (STEM). Surface regions (~2 nm) of the cycled LiNi0.5Mn1.5O4 particles show migration of TM ions into tetrahedral Li sites to form a Mn3O4-like structure. However, subsurface regions of the cycled particles exhibit migration of TM ions into empty octahedral sites to form a rocksalt-like structure. The migration of these TM ions are closely related to dissolution of Ni/Mn ions and building-up of charge transfer impedance, which contribute significantly to the capacity degradation and the poor first-cycle Coulombic efficiency of spinel LiNi0.5Mn1.5O4 cathode material. Accordingly, we provide suggestions of effective stabilization of LiNi0.5

  7. High speed door assembly

    DOE Patents [OSTI]

    Shapiro, C.

    1993-04-27

    A high speed door assembly is described, comprising an actuator cylinder and piston rods, a pressure supply cylinder and fittings, an electrically detonated explosive bolt, a honeycomb structured door, a honeycomb structured decelerator, and a structural steel frame encasing the assembly to close over a 3 foot diameter opening within 50 milliseconds of actuation, to contain hazardous materials and vapors within a test fixture.

  8. High speed door assembly

    DOE Patents [OSTI]

    Shapiro, Carolyn

    1993-01-01

    A high speed door assembly, comprising an actuator cylinder and piston rods, a pressure supply cylinder and fittings, an electrically detonated explosive bolt, a honeycomb structured door, a honeycomb structured decelerator, and a structural steel frame encasing the assembly to close over a 3 foot diameter opening within 50 milliseconds of actuation, to contain hazardous materials and vapors within a test fixture.

  9. Intergrating Magnetotellurics, Soil Gas Geochemistry and Structural

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

    Analysis to Identify Hidden, High Enthalpy, Extensional Geothermal Systems | Department of Energy Intergrating Magnetotellurics, Soil Gas Geochemistry and Structural Analysis to Identify Hidden, High Enthalpy, Extensional Geothermal Systems Intergrating Magnetotellurics, Soil Gas Geochemistry and Structural Analysis to Identify Hidden, High Enthalpy, Extensional Geothermal Systems Intergrating Magnetotellurics, Soil Gas Geochemistry and Structural Analysis to Identify Hidden, High Enthalpy,

  10. High efficiency incandescent lighting

    DOE Patents [OSTI]

    Bermel, Peter; Ilic, Ognjen; Chan, Walker R.; Musabeyoglu, Ahmet; Cukierman, Aviv Ruben; Harradon, Michael Robert; Celanovic, Ivan; Soljacic, Marin

    2014-09-02

    Incandescent lighting structure. The structure includes a thermal emitter that can, but does not have to, include a first photonic crystal on its surface to tailor thermal emission coupled to, in a high-view-factor geometry, a second photonic filter selected to reflect infrared radiation back to the emitter while passing visible light. This structure is highly efficient as compared to standard incandescent light bulbs.

  11. Synthesis, Structure, and Electrochemical Performance of High Capacity Li2Cu0.5Ni0.5O2 Cathodes

    SciTech Connect (OSTI)

    Ruther, Rose E; Zhou, Hui; Dhital, Chetan; Saravanan, Kuppan; Kercher, Andrew K.; Chen, Guoying; Huq, Ashfia; Delnick, Frank M.; Nanda, Jagjit

    2015-09-08

    Orthorhombic Li2NiO2, Li2CuO2, and solid solutions thereof have been studied as potential cathode materials for lithium-ion batteries due to their high theoretical capacity and relatively low cost. While neither endmember shows good cycling stability, the intermediate composition, Li2Cu0.5Ni0.5O2, yields reasonably high reversible capacities. A new synthetic approach and detailed characterization of this phase and the parent Li2CuO2 are presented. The cycle life of Li2Cu0.5Ni0.5O2 is shown to depend critically on the voltage window. The formation of Cu1+ at low voltage and oxygen evolution at high voltage limit the electrochemical reversibility. In situ X-ray absorption spectroscopy (XAS), in situ Raman spectroscopy, and gas evolution measurements are used to follow the chemical and structural changes that occur as a function of cell voltage.

  12. Structural system identification: Structural dynamics model validation

    SciTech Connect (OSTI)

    Red-Horse, J.R.

    1997-04-01

    Structural system identification is concerned with the development of systematic procedures and tools for developing predictive analytical models based on a physical structure`s dynamic response characteristics. It is a multidisciplinary process that involves the ability (1) to define high fidelity physics-based analysis models, (2) to acquire accurate test-derived information for physical specimens using diagnostic experiments, (3) to validate the numerical simulation model by reconciling differences that inevitably exist between the analysis model and the experimental data, and (4) to quantify uncertainties in the final system models and subsequent numerical simulations. The goal of this project was to develop structural system identification techniques and software suitable for both research and production applications in code and model validation.

  13. High Precision Geophysics & Detailed Structural Exploration ...

    Open Energy Info (EERE)

    in a shallow geothermal aquifer and support effective development of the low temperature reservoir and identification of deep up flow targets. These surveys and the drilling...

  14. Electronic structure in high temperature superconducting oxides

    SciTech Connect (OSTI)

    Howell, R.H.; Sterne, P.; Solal, F.; Fluss, M.J.; Tobin, J.; O`Brien, J.; Radousky, H.B.; Haghighi, H.; Kaiser, J.H.; Rayner, S.L.; West, R.N.; Liu, J.Z.; Shelton, R.; Olsen, C.G.; Gu, C.; Kitazawa, K.; Kojima, H.

    1991-08-20

    We have performed measurements on entwined single crystals of YBCO using both photoemission and positron angular correlation of annihilation radiation and on single crystals of LSCO using only angular correlation. Fermi surface features in good agreement with band theory were found and identified in all of the measurements. In photoemission the Fermi momentum was fixed for several points and the band dispersion below the Fermi energy was mapped. In positron angular correlation measurements the shape of the Fermi surface was mapped for the CuO chains (YBCO) and the CuO planes (LSCO). Demonstration of the existence of Fermi surfaces in the HTSC materials points a direction for future theoretical considerations.

  15. Support Structure Design of the $\\hbox{Nb}_{3}\\hbox{Sn}$ Quadrupole for the High Luminosity LHC

    SciTech Connect (OSTI)

    Juchno, M.; Ambrosio, G.; Anerella, M.; Cheng, D.; Felice, H.; Ferracin, P.; Perez, J. C.; Prin, H.; Schmalzle, J.

    2014-10-31

    New low-β quadrupole magnets are being developed within the scope of the High Luminosity LHC (HL-LHC) project in collaboration with the US LARP program. The aim of the HLLHC project is to study and implement machine upgrades necessary for increasing the luminosity of the LHC. The new quadrupoles, which are based on the Nb₃Sn superconducting technology, will be installed in the LHC Interaction Regions and will have to generate a gradient of 140 T/m in a coil aperture of 150 mm. In this paper, we describe the design of the short model magnet support structure and discuss results of the detailed 3D numerical analysis performed in preparation for the first short model test.

  16. Support Structure Design of the $\\hbox{Nb}_{3}\\hbox{Sn}$ Quadrupole for the High Luminosity LHC

    SciTech Connect (OSTI)

    Juchno, M.; Ambrosio, G.; Anerella, M.; Cheng, D.; Felice, H.; Ferracin, P.; Perez, J. C.; Prin, H.; Schmalzle, J.

    2014-10-31

    New low-? quadrupole magnets are being developed within the scope of the High Luminosity LHC (HL-LHC) project in collaboration with the US LARP program. The aim of the HLLHC project is to study and implement machine upgrades necessary for increasing the luminosity of the LHC. The new quadrupoles, which are based on the Nb?Sn superconducting technology, will be installed in the LHC Interaction Regions and will have to generate a gradient of 140 T/m in a coil aperture of 150 mm. In this paper, we describe the design of the short model magnet support structure and discuss results of the detailed 3D numerical analysis performed in preparation for the first short model test.

  17. High voltage design structure for high temperature superconducting device

    DOE Patents [OSTI]

    Tekletsadik, Kasegn D.

    2008-05-20

    In accordance with the present invention, modular corona shields are employed in a HTS device to reduce the electric field surrounding the HTS device. In a exemplary embodiment a fault current limiter module in the insulation region of a cryogenic cooling system has at least one fault current limiter set which employs a first corona shield disposed along the top portion of the fault current limiter set and is electrically coupled to the fault current limiter set. A second corona shield is disposed along the bottom portion of the fault current limiter set and is electrically coupled to the fault current limiter set. An insulation barrier is disposed within the insulation region along at least one side of the fault current limiter set. The first corona shield and the second corona shield act together to reduce the electric field surrounding the fault limiter set when voltage is applied to the fault limiter set.

  18. Turbulence and combustion interaction: High resolution local flame front structure visualization using simultaneous single-shot PLIF imaging of CH, OH, and CH{sub 2}O in a piloted premixed jet flame

    SciTech Connect (OSTI)

    Li, Z.S.; Li, B.; Sun, Z.W.; Alden, M. [Division of Combustion Physics, Lund University, P.O. Box 118, S-221 00 Lund (Sweden); Bai, X.S. [Division of Fluid Mechanics, Lund University, P.O. Box 118, S-221 00 Lund (Sweden)

    2010-06-15

    High resolution planar laser-induced fluorescence (PLIF) was applied to investigate the local flame front structures of turbulent premixed methane/air jet flames in order to reveal details about turbulence and flame interaction. The targeted turbulent flames were generated on a specially designed coaxial jet burner, in which low speed stoichiometric gas mixture was fed through the outer large tube to provide a laminar pilot flame for stabilization of the high speed jet flame issued through the small inner tube. By varying the inner tube flow speed and keeping the mixture composition as that of the outer tube, different flames were obtained covering both the laminar and turbulent flame regimes with different turbulent intensities. Simultaneous CH/CH{sub 2}O, and also OH PLIF images were recorded to characterize the influence of turbulence eddies on the reaction zone structure, with a spatial resolution of about 40 {mu}m and temporal resolution of around 10 ns. Under all experimental conditions, the CH radicals were found to exist only in a thin layer; the CH{sub 2}O were found in the inner flame whereas the OH radicals were seen in the outer flame with the thin CH layer separating the OH and CH{sub 2}O layers. The outer OH layer is thick and it corresponds to the oxidation zone and post-flame zone; the CH{sub 2}O layer is thin in laminar flows; it becomes broad at high speed turbulent flow conditions. This phenomenon was analyzed using chemical kinetic calculations and eddy/flame interaction theory. It appears that under high turbulence intensity conditions, the small eddies in the preheat zone can transport species such as CH{sub 2}O from the reaction zones to the preheat zone. The CH{sub 2}O species are not consumed in the preheat zone due to the absence of H, O, and OH radicals by which CH{sub 2}O is to be oxidized. The CH radicals cannot exist in the preheat zone due to the rapid reactions of this species with O{sub 2} and CO{sub 2} in the inner-layer of the

  19. Structural health monitoring for ship structures

    SciTech Connect (OSTI)

    Farrar, Charles; Park, Gyuhae; Angel, Marian; Bement, Matthew; Salvino, Liming

    2009-01-01

    Currently the Office of Naval Research is supporting the development of structural health monitoring (SHM) technology for U.S. Navy ship structures. This application is particularly challenging because of the physical size of these structures, the widely varying and often extreme operational and environmental conditions associated with these ships missions, lack of data from known damage conditions, limited sensing that was not designed specifically for SHM, and the management of the vast amounts of data that can be collected during a mission. This paper will first define a statistical pattern recognition paradigm for SHM by describing the four steps of (1) Operational Evaluation, (2) Data Acquisition, (3) Feature Extraction, and (4) Statistical Classification of Features as they apply to ship structures. Note that inherent in the last three steps of this process are additional tasks of data cleansing, compression, normalization and fusion. The presentation will discuss ship structure SHM challenges in the context of applying various SHM approaches to sea trials data measured on an aluminum multi-hull high-speed ship, the HSV-2 Swift. To conclude, the paper will discuss several outstanding issues that need to be addressed before SHM can make the transition from a research topic to actual field applications on ship structures and suggest approaches for addressing these issues.

  20. Controlling Graphene's Electronic Structure

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

    Controlling Graphene's Electronic Structure Print Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has enormous potential for use in ultrafast electronic transistors. It exhibits high conductivity and an anomalous quantum Hall effect (a phenomenon exhibited by certain semiconductor devices at low temperatures and high magnetic fields). Among its novel properties, graphene's electrical charge carriers (electrons and holes) move through a solid with

  1. Controlling Graphene's Electronic Structure

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

    Controlling Graphene's Electronic Structure Print Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has enormous potential for use in ultrafast electronic transistors. It exhibits high conductivity and an anomalous quantum Hall effect (a phenomenon exhibited by certain semiconductor devices at low temperatures and high magnetic fields). Among its novel properties, graphene's electrical charge carriers (electrons and holes) move through a solid with

  2. Controlling Graphene's Electronic Structure

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

    Controlling Graphene's Electronic Structure Print Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has enormous potential for use in ultrafast electronic transistors. It exhibits high conductivity and an anomalous quantum Hall effect (a phenomenon exhibited by certain semiconductor devices at low temperatures and high magnetic fields). Among its novel properties, graphene's electrical charge carriers (electrons and holes) move through a solid with

  3. Controlling Graphene's Electronic Structure

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

    Controlling Graphene's Electronic Structure Print Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has enormous potential for use in ultrafast electronic transistors. It exhibits high conductivity and an anomalous quantum Hall effect (a phenomenon exhibited by certain semiconductor devices at low temperatures and high magnetic fields). Among its novel properties, graphene's electrical charge carriers (electrons and holes) move through a solid with

  4. Controlling Graphene's Electronic Structure

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

    Controlling Graphene's Electronic Structure Print Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has enormous potential for use in ultrafast electronic transistors. It exhibits high conductivity and an anomalous quantum Hall effect (a phenomenon exhibited by certain semiconductor devices at low temperatures and high magnetic fields). Among its novel properties, graphene's electrical charge carriers (electrons and holes) move through a solid with

  5. Controlling Graphene's Electronic Structure

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

    Controlling Graphene's Electronic Structure Print Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has enormous potential for use in ultrafast electronic transistors. It exhibits high conductivity and an anomalous quantum Hall effect (a phenomenon exhibited by certain semiconductor devices at low temperatures and high magnetic fields). Among its novel properties, graphene's electrical charge carriers (electrons and holes) move through a solid with

  6. Organizational Structure | Photosynthetic Antenna Research Center

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

    Organizational Structure Organizational Structure

  7. The high pressure structure and equation of state of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) up to 20 GPa: X-ray diffraction measurements and first principles molecular dynamics simulations

    SciTech Connect (OSTI)

    Stavou, Elissaios; Manaa, M. Riad; Zaug, Joseph M.; Kuo, I-Feng W.; Pagoria, Philip F.; Crowhurst, Jonathan C.; Armstrong, Michael R.; Kalkan, Bora

    2015-10-14

    Recent theoretical studies of 2,6-diamino-3,5-dinitropyrazine-1-oxide (C4H4N6O5 Lawrence Livermore Molecule No. 105, LLM-105) report unreacted high pressure equations of state that include several structural phase transitions, between 8 and 50 GPa, while one published experimental study reports equation of state (EOS) data up to a pressure of 6 GPa with no observed transition. Here we report the results of a synchrotron-based X-ray diffraction study and also ambient temperature isobaric-isothermal atomistic molecular dynamics simulations of LLM-105 up to 20 GPa. We find that the ambient pressure phase remains stable up to 20 GPa; there is no indication of a pressure induced phase transition. We do find a prominent decrease in b-axis compressibility starting at approximately 13 GPa and attribute the stiffening to a critical length where inter-sheet distance becomes similar to the intermolecular distance within individual sheets. The ambient temperature isothermal equation of state was determined through refinements of measured X-ray diffraction patterns. The pressure-volume data were fit using various EOS models to yield bulk moduli with corresponding pressure derivatives. As a result, we find very good agreement between the experimental and theoretically derived EOS.

  8. The high pressure structure and equation of state of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) up to 20 GPa: X-ray diffraction measurements and first principles molecular dynamics simulations

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

    Stavou, Elissaios; Manaa, M. Riad; Zaug, Joseph M.; Kuo, I-Feng W.; Pagoria, Philip F.; Crowhurst, Jonathan C.; Armstrong, Michael R.; Kalkan, Bora

    2015-10-14

    Recent theoretical studies of 2,6-diamino-3,5-dinitropyrazine-1-oxide (C4H4N6O5 Lawrence Livermore Molecule No. 105, LLM-105) report unreacted high pressure equations of state that include several structural phase transitions, between 8 and 50 GPa, while one published experimental study reports equation of state (EOS) data up to a pressure of 6 GPa with no observed transition. Here we report the results of a synchrotron-based X-ray diffraction study and also ambient temperature isobaric-isothermal atomistic molecular dynamics simulations of LLM-105 up to 20 GPa. We find that the ambient pressure phase remains stable up to 20 GPa; there is no indication of a pressure induced phasemore » transition. We do find a prominent decrease in b-axis compressibility starting at approximately 13 GPa and attribute the stiffening to a critical length where inter-sheet distance becomes similar to the intermolecular distance within individual sheets. The ambient temperature isothermal equation of state was determined through refinements of measured X-ray diffraction patterns. The pressure-volume data were fit using various EOS models to yield bulk moduli with corresponding pressure derivatives. As a result, we find very good agreement between the experimental and theoretically derived EOS.« less

  9. High power microwave generator

    DOE Patents [OSTI]

    Ekdahl, Carl A.

    1986-01-01

    A microwave generator efficiently converts the energy of an intense relativistic electron beam (REB) into a high-power microwave emission using the Smith-Purcell effect which is related to Cerenkov radiation. Feedback for efficient beam bunching and high gain is obtained by placing a cylindrical Smith-Purcell transmission grating on the axis of a toroidal resonator. High efficiency results from the use of a thin cold annular highly-magnetized REB that is closely coupled to the resonant structure.

  10. High power microwave generator

    DOE Patents [OSTI]

    Ekdahl, C.A.

    1983-12-29

    A microwave generator efficiently converts the energy of an intense relativistic electron beam (REB) into a high-power microwave emission using the Smith-Purcell effect which is related to Cerenkov radiation. Feedback for efficient beam bunching and high gain is obtained by placing a cylindrical Smith-Purcell transmission grating on the axis of a toroidal resonator. High efficiency results from the use of a thin cold annular highly-magnetized REB that is closely coupled to the resonant structure.

  11. Biomimetic Dye Molecules for Solar Cells

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

    Organic molecules in dye-sensitized solar cells exhibit great potential to increase the efficiency and reduce the cost of photovoltaic power generation by allowing a wide variety ...

  12. Biomimetic Dye Molecules for Solar Cells

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

    cell. The class of dye molecules used in this research is related to the dye that gives blue jeans their color. By choosing organic molecules, an enormous repertoire of possible...

  13. Biomimetic Dye Molecules for Solar Cells

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

    must be identified and fixed before they can be incorporated for use in mass-produced solar cells. This research represents a first step towards establishing a feedback loop to...

  14. Biomimetic Dye Molecules for Solar Cells

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

    Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption....

  15. Biomimetic Dye Molecules for Solar Cells

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

    Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to ...

  16. Biomimetic Dye Molecules for Solar Cells

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

    provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce...

  17. Spontaneous Formation of Biomimetic, Nanoporous Membrane Channels...

    Office of Science (SC) Website

    Carbon nanotubes insert into artificial and active cell membranes, reproducing major ... Depiction of carbon nanotube (gray) inserted into a cell membrane, with a single strand of ...

  18. Biomimetic Dye Molecules for Solar Cells

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

    Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly ...

  19. Biomimetic materials for protein storage and transport

    DOE Patents [OSTI]

    Firestone, Millicent A.; Laible, Philip D.

    2012-05-01

    The invention provides a method for the insertion of protein in storage vehicles and the recovery of the proteins from the vehicles, the method comprising supplying isolated protein; mixing the isolated protein with a fluid so as to form a mixture, the fluid comprising saturated phospholipids, lipopolymers, and a surfactant; cycling the mixture between a first temperature and a second temperature; maintaining the mixture as a solid for an indefinite period of time; diluting the mixture in detergent buffer so as to disrupt the composition of the mixture, and diluting to disrupt the fluid in its low viscosity state for removal of the guest molecules by, for example, dialysis, filtering or chromatography dialyzing/filtering the emulsified solid.

  20. Nanocrystal structures

    DOE Patents [OSTI]

    Eisler, Hans J.; Sundar, Vikram C.; Walsh, Michael E.; Klimov, Victor I.; Bawendi, Moungi G.; Smith, Henry I.

    2008-12-30

    A structure including a grating and a semiconductor nanocrystal layer on the grating, can be a laser. The semiconductor nanocrystal layer can include a plurality of semiconductor nanocrystals including a Group II-VI compound, the nanocrystals being distributed in a metal oxide matrix. The grating can have a periodicity from 200 nm to 500 nm.

  1. Nanocrystal structures

    DOE Patents [OSTI]

    Eisler, Hans J.; Sundar, Vikram C.; Walsh, Michael E.; Klimov, Victor I.; Bawendi, Moungi G.; Smith, Henry I.

    2006-12-19

    A structure including a grating and a semiconductor nanocrystal layer on the grating, can be a laser. The semiconductor nanocrystal layer can include a plurality of semiconductor nanocrystals including a Group II–VI compound, the nanocrystals being distributed in a metal oxide matrix. The grating can have a periodicity from 200 nm to 500 nm.

  2. Nanocrystal structures

    DOE Patents [OSTI]

    Eisler, Hans J.; Sundar, Vikram C.; Walsh, Michael E.; Klimov, Victor I.; Bawendi, Moungi G.; Smith, Henry I.

    2006-12-19

    A structure including a grating and a semiconductor nanocrystal layer on the grating, can be a laser. The semiconductor nanocrystal layer can include a plurality of semiconductor nanocrystals including a Group IIVI compound, the nanocrystals being distributed in a metal oxide matrix. The grating can have a periodicity from 200 nm to 500 nm.

  3. Dependence of liquefaction behavior on coal characteristics. Part VI. Relationship of liquefaction behavior of a set of high sulfur coals to chemical structural characteristics. Final technical report, March 1981 to February 1984

    SciTech Connect (OSTI)

    Neill, P. H.; Given, P. H.

    1984-09-01

    The initial aim of this research was to use empirical mathematical relationships to formulate a better understanding of the processes involved in the liquefaction of a set of medium rank high sulfur coals. In all, just over 50 structural parameters and yields of product classes were determined. In order to gain a more complete understanding of the empirical relationships between the various properties, a number of relatively complex statistical procedures and tests were applied to the data, mostly selected from the field of multivariate analysis. These can be broken down into two groups. The first group included grouping techniques such as non-linear mapping, hierarchical and tree clustering, and linear discriminant analyses. These techniques were utilized in determining if more than one statistical population was present in the data set; it was concluded that there was not. The second group of techniques included factor analysis and stepwise multivariate linear regressions. Linear discriminant analyses were able to show that five distinct groups of coals were represented in the data set. However only seven of the properties seemed to follow this trend. The chemical property that appeared to follow the trend most closely was the aromaticity, where a series of five parallel straight lines was observed for a plot of f/sub a/ versus carbon content. The factor patterns for each of the product classes indicated that although each of the individual product classes tended to load on factors defined by specific chemical properties, the yields of the broader product classes, such as total conversion to liquids + gases and conversion to asphaltenes, tended to load largely on factors defined by rank. The variance explained and the communalities tended to be relatively low. Evidently important sources of variance have still to be found.

  4. High strength and high toughness steel

    DOE Patents [OSTI]

    Parker, Earl R.; Zackay, Victor F.

    1979-01-01

    A structural steel which possess both high strength and high toughness and has particular application of cryogenic uses. The steel is produced by the utilization of thermally induced phase transformation following heating in a three-phase field in iron-rich alloys of the Fe-Ni-Ti system, with a preferred composition of 12% nickel, 0.5% titanium, the remainder being iron.

  5. Electronic structure of superconductivity refined

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

    Electronic structure of superconductivity refined Electronic structure of superconductivity refined A team of physicists propose a new model that expands on a little understood aspect of the electronic structure in high-temperature superconductors. July 10, 2008 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma

  6. Structure of Synaptic Connectors Solved

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

    Structure of Synaptic Connectors Solved Structure of Synaptic Connectors Solved Print Wednesday, 30 April 2008 00:00 Establishment of neural connections at specialized intercellular junctions called synapses is critical for proper brain function, and errors in the process are thought to be associated with autism and other disorders. Researchers from Stanford University and the University of Texas Southwestern Medical Center have reported high-resolution, three-dimensional structures of the

  7. Terminal structure

    DOE Patents [OSTI]

    Schmidt, Frank; Allais, Arnaud; Mirebeau, Pierre; Ganhungu, Francois; Lallouet, Nicolas

    2009-10-20

    A terminal structure (2) for a superconducting cable (1) is described. It consists of a conductor (2a) and an insulator (2b) that surrounds the conductor (2a), wherein the superconducting cable (1) has a core with a superconducting conductor (5) and a layer of insulation that surrounds the conductor (5), and wherein the core is arranged in such a way that it can move longitudinally in a cryostat. The conductor (2a) of the terminal structure (2) is electrically connected with the superconducting conductor (5) or with a normal conductor (6) that is connected with the superconducting conductor (5) by means of a tubular part (7) made of an electrically conductive material, wherein the superconducting conductor (5) or the normal conductor (6) can slide in the part (7) in the direction of the superconductor.

  8. Superconducting structure

    DOE Patents [OSTI]

    Kwon, Chuhee; Jia, Quanxi; Foltyn, Stephen R.

    2003-04-01

    A superconductive structure including a dielectric oxide substrate, a thin buffer layer of a superconducting material thereon; and, a layer of a rare earth-barium-copper oxide superconducting film thereon the thin layer of yttrium-barium-copper oxide, the rare earth selected from the group consisting of samarium, gadolinium, ytterbium, erbium, neodymium, dysprosium, holmium, lutetium, a combination of more than one element from the rare earth group and a combination of one or more elements from the rare earth group with yttrium, the buffer layer of superconducting material characterized as having chemical and structural compatibility with the dielectric oxide substrate and the rare earth-barium-copper oxide superconducting film is provided.

  9. Superconducting Structure

    DOE Patents [OSTI]

    Kwon, Chuhee; Jia, Quanxi; Foltyn, Stephen R.

    2005-09-13

    A superconductive structure including a dielectric oxide substrate, a thin buffer layer of a superconducting material thereon; and, a layer of a rare earth-barium-copper oxide superconducting film thereon the thin layer of yttrium-barium-copper oxide, the rare earth selected from the group consisting of samarium, gadolinium, ytterbium, erbium, neodymium, dysprosium, holmium, lutetium, a combination of more than one element from the rare earth group and a combination of one or more elements from the rare earth group with yttrium, the buffer layer of superconducting material characterized as having chemical and structural compatibility with the dielectric oxide substrate and the rare earth-barium-copper oxide superconducting film is provided.

  10. Highly directional thermal emitter

    DOE Patents [OSTI]

    Ribaudo, Troy; Shaner, Eric A; Davids, Paul; Peters, David W

    2015-03-24

    A highly directional thermal emitter device comprises a two-dimensional periodic array of heavily doped semiconductor structures on a surface of a substrate. The array provides a highly directional thermal emission at a peak wavelength between 3 and 15 microns when the array is heated. For example, highly doped silicon (HDSi) with a plasma frequency in the mid-wave infrared was used to fabricate nearly perfect absorbing two-dimensional gratings structures that function as highly directional thermal radiators. The absorption and emission characteristics of the HDSi devices possessed a high degree of angular dependence for infrared absorption in the 10-12 micron range, while maintaining high reflectivity of solar radiation (.about.64%) at large incidence angles.

  11. Structural Genomics of Protein Phosphatases

    SciTech Connect (OSTI)

    Almo,S.; Bonanno, J.; Sauder, J.; Emtage, S.; Dilorenzo, T.; Malashkevich, V.; Wasserman, S.; Swaminathan, S.; Eswaramoorthy, S.; et al

    2007-01-01

    The New York SGX Research Center for Structural Genomics (NYSGXRC) of the NIGMS Protein Structure Initiative (PSI) has applied its high-throughput X-ray crystallographic structure determination platform to systematic studies of all human protein phosphatases and protein phosphatases from biomedically-relevant pathogens. To date, the NYSGXRC has determined structures of 21 distinct protein phosphatases: 14 from human, 2 from mouse, 2 from the pathogen Toxoplasma gondii, 1 from Trypanosoma brucei, the parasite responsible for African sleeping sickness, and 2 from the principal mosquito vector of malaria in Africa, Anopheles gambiae. These structures provide insights into both normal and pathophysiologic processes, including transcriptional regulation, regulation of major signaling pathways, neural development, and type 1 diabetes. In conjunction with the contributions of other international structural genomics consortia, these efforts promise to provide an unprecedented database and materials repository for structure-guided experimental and computational discovery of inhibitors for all classes of protein phosphatases.

  12. Air cathode structure manufacture

    DOE Patents [OSTI]

    Momyer, William R.; Littauer, Ernest L.

    1985-01-01

    An improved air cathode structure for use in primary batteries and the like. The cathode structure includes a matrix active layer, a current collector grid on one face of the matrix active layer, and a porous, nonelectrically conductive separator on the opposite face of the matrix active layer, the collector grid and separator being permanently bonded to the matrix active layer. The separator has a preselected porosity providing low IR losses and high resistance to air flow through the matrix active layer to maintain high bubble pressure during operation of the battery. In the illustrated embodiment, the separator was formed of porous polypropylene. A thin hydrophobic film is provided, in the preferred embodiment, on the current collecting metal grid.

  13. Airfoil structure

    DOE Patents [OSTI]

    Frey, Gary A.; Twardochleb, Christopher Z.

    1998-01-01

    Past airfoil configurations have been used to improve aerodynamic performance and engine efficiencies. The present airfoil configuration further increases component life and reduces maintenance by reducing internal stress within the airfoil itself. The airfoil includes a chord and a span. Each of the chord and the span has a bow being summed to form a generally "C" configuration of the airfoil. The generally "C" configuration includes a compound bow in which internal stresses resulting from a thermal temperature gradient are reduced. The structural configuration reduces internal stresses resulting from thermal expansion.

  14. Airfoil structure

    DOE Patents [OSTI]

    Frey, G.A.; Twardochleb, C.Z.

    1998-01-13

    Past airfoil configurations have been used to improve aerodynamic performance and engine efficiencies. The present airfoil configuration further increases component life and reduces maintenance by reducing internal stress within the airfoil itself. The airfoil includes a chord and a span. Each of the chord and the span has a bow being summed to form a generally ``C`` configuration of the airfoil. The generally ``C`` configuration includes a compound bow in which internal stresses resulting from a thermal temperature gradient are reduced. The structural configuration reduces internal stresses resulting from thermal expansion. 6 figs.

  15. Heat pipe wick with structural enhancement

    DOE Patents [OSTI]

    Andraka, Charles E.; Adkins, Douglas R.; Moreno, James B.; Rawlinson, K. Scott; Showalter, Steven K.; Moss, Timothy A.

    2003-11-18

    Heat pipe wick structure wherein a stout sheet of perforated material overlays a high performance wick material such as stainless steel felt affixed to a substrate. The inventive structure provides a good flow path for working fluid while maintaining durability and structural stability independent of the structure (or lack of structure) associated with the wick material. In one described embodiment, a wick of randomly laid .about.8 micron thickness stainless steel fibers is sintered to a metal substrate and a perforated metal overlay.

  16. Structural rejuvenation in bulk metallic glasses

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

    Tong, Yang; Iwashita, T.; Dmowski, Wojciech; Bei, Hongbin; Yokoyama, Y.; Egami, Takeshi

    2015-01-05

    Using high-energy X-ray diffraction we study structural changes in bulk metallic glasses after uniaxial compressive homogeneous deformation at temperatures slightly below the glass transition. We observe that deformation results in structural disordering corresponding to an increase in the fictive, or effective, temperature. However, the structural disordering saturates after yielding. Lastly, examination of the experimental structure and molecular dynamics simulation suggests that local changes in the atomic connectivity network are the main driving force of the structural rejuvenation.

  17. Armor structures

    DOE Patents [OSTI]

    Chu, Henry Shiu-Hung [Idaho Falls, ID; Lacy, Jeffrey M [Idaho Falls, ID

    2008-04-01

    An armor structure includes first and second layers individually containing a plurality of i-beams. Individual i-beams have a pair of longitudinal flanges interconnected by a longitudinal crosspiece and defining opposing longitudinal channels between the pair of flanges. The i-beams within individual of the first and second layers run parallel. The laterally outermost faces of the flanges of adjacent i-beams face one another. One of the longitudinal channels in each of the first and second layers faces one of the longitudinal channels in the other of the first and second layers. The channels of the first layer run parallel with the channels of the second layer. The flanges of the first and second layers overlap with the crosspieces of the other of the first and second layers, and portions of said flanges are received within the facing channels of the i-beams of the other of the first and second layers.

  18. Structural Phase Transition and Photoluminescence Properties...

    Office of Scientific and Technical Information (OSTI)

    Phase Transition and Photoluminescence Properties of YF3:Eu3+ Nanocrystals under High Pressure Citation Details In-Document Search Title: Structural Phase Transition and ...

  19. Intergrating Magnetotellurics, Soil Gas Geochemistry and Structural...

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

    Intergrating Magnetotellurics, Soil Gas Geochemistry and Structural Analysis to Identify Hidden, High Enthalpy, Extensional Geothermal Systems presentation at the April 2013 peer ...

  20. Synthesis, crystal structure, resistivity, and electronic structure...

    Office of Scientific and Technical Information (OSTI)

    Synthesis, crystal structure, resistivity, and electronic structure of the U(V) quaternary ... and electronic structure of the U(V) quaternary polyselenide Ba8PdU2Se12(Se2)2 ...

  1. Structural properties of Sr{sub 0.61}Ba{sub 0.39}Nb{sub 2}O{sub 6} in the temperature range 10-500 K investigated by high-resolution neutron powder diffraction and specific heat measurements

    SciTech Connect (OSTI)

    Schefer, J.; Pomjakushin, V.; Stuhr, U.; Schaniel, D.; Woike, Th.; Petricek, V.; Woehlecke, M.; Imlau, M.

    2006-10-01

    We report high-resolution neutron powder diffraction on Sr{sub 0.61}Ba{sub 0.39}Nb{sub 2}O{sub 6} in the temperature range 15-500 K. The results indicate that the low-temperature anomalies (T{<=}100 K) observed in the dielectric dispersion are due to small changes in the incommensurate modulation of the NbO{sub 6} octahedra, as no structural phase transition of the average structure was observed. This interpretation is supported by specific heat measurements, which show no latent heat, but a glass-like behavior at low temperatures. Furthermore, we find that the structural changes connected with the ferroelectric phase transition at T{sub c}{approx_equal}350 K start already at 200 K, explaining the anisotropic thermal expansion in the temperature range 200-300 K observed in a recent x-ray diffraction study.

  2. Stormwater Control Structures

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

    Stormwater Control Structures Stormwater Control Structures Stormwater control structures are engineered to control run-on and runoff water from suspected contaminated sites. ...

  3. Structural Health Monitoring

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

    Structural Health Monitoring Engineering Institute Structural Health Monitoring Structural Health Monitoring is the process of implementing a damage detection strategy for...

  4. High-Resolution Numerical Simulation and Analysis of Mach Reflection Structures in Detonation Waves in Low-Pressure H2O2Ar Mixtures: A Summary of Results Obtained with the Adaptive Mesh Refinement Framework AMROC

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

    Deiterding, Ralf

    2011-01-01

    Numerical simulation can be key to the understanding of the multidimensional nature of transient detonation waves. However, the accurate approximation of realistic detonations is demanding as a wide range of scales needs to be resolved. This paper describes a successful solution strategy that utilizes logically rectangular dynamically adaptive meshes. The hydrodynamic transport scheme and the treatment of the nonequilibrium reaction terms are sketched. A ghost fluid approach is integrated into the method to allow for embedded geometrically complex boundaries. Large-scale parallel simulations of unstable detonation structures of Chapman-Jouguet detonations in low-pressure hydrogen-oxygen-argon mixtures demonstrate the efficiency of the described techniquesmorein practice. In particular, computations of regular cellular structures in two and three space dimensions and their development under transient conditions, that is, under diffraction and for propagation through bends are presented. Some of the observed patterns are classified by shock polar analysis, and a diagram of the transition boundaries between possible Mach reflection structures is constructed.less

  5. High-Resolution Numerical Simulation and Analysis of Mach Reflection Structures in Detonation Waves in Low-Pressure H 2 –O 2 –Ar Mixtures: A Summary of Results Obtained with the Adaptive Mesh Refinement Framework AMROC

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

    Deiterding, Ralf

    2011-01-01

    Numerical simulation can be key to the understanding of the multidimensional nature of transient detonation waves. However, the accurate approximation of realistic detonations is demanding as a wide range of scales needs to be resolved. This paper describes a successful solution strategy that utilizes logically rectangular dynamically adaptive meshes. The hydrodynamic transport scheme and the treatment of the nonequilibrium reaction terms are sketched. A ghost fluid approach is integrated into the method to allow for embedded geometrically complex boundaries. Large-scale parallel simulations of unstable detonation structures of Chapman-Jouguet detonations in low-pressure hydrogen-oxygen-argon mixtures demonstrate the efficiency of the described techniquesmore » in practice. In particular, computations of regular cellular structures in two and three space dimensions and their development under transient conditions, that is, under diffraction and for propagation through bends are presented. Some of the observed patterns are classified by shock polar analysis, and a diagram of the transition boundaries between possible Mach reflection structures is constructed.« less

  6. Nano-sized structured layered positive electrode materials to...

    Office of Scientific and Technical Information (OSTI)

    positive electrode materials to enable high energy density and high rate capability lithium batteries Title: Nano-sized structured layered positive electrode materials to ...

  7. High temperature measuring device

    DOE Patents [OSTI]

    Tokarz, Richard D.

    1983-01-01

    A temperature measuring device for very high design temperatures (to 2,000.degree. C.). The device comprises a homogenous base structure preferably in the form of a sphere or cylinder. The base structure contains a large number of individual walled cells. The base structure has a decreasing coefficient of elasticity within the temperature range being monitored. A predetermined quantity of inert gas is confined within each cell. The cells are dimensionally stable at the normal working temperature of the device. Increases in gaseous pressure within the cells will permanently deform the cell walls at temperatures within the high temperature range to be measured. Such deformation can be correlated to temperature by calibrating similarly constructed devices under known time and temperature conditions.

  8. Structure of Synaptic Connectors Solved

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

    Structure of Synaptic Connectors Solved Print Establishment of neural connections at specialized intercellular junctions called synapses is critical for proper brain function, and errors in the process are thought to be associated with autism and other disorders. Researchers from Stanford University and the University of Texas Southwestern Medical Center have reported high-resolution, three-dimensional structures of the proteins, called neuroligin-1 and neurexin-1β, that form this connection.

  9. Structure of Synaptic Connectors Solved

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

    Structure of Synaptic Connectors Solved Print Establishment of neural connections at specialized intercellular junctions called synapses is critical for proper brain function, and errors in the process are thought to be associated with autism and other disorders. Researchers from Stanford University and the University of Texas Southwestern Medical Center have reported high-resolution, three-dimensional structures of the proteins, called neuroligin-1 and neurexin-1β, that form this connection.

  10. Structure of Synaptic Connectors Solved

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

    Structure of Synaptic Connectors Solved Print Establishment of neural connections at specialized intercellular junctions called synapses is critical for proper brain function, and errors in the process are thought to be associated with autism and other disorders. Researchers from Stanford University and the University of Texas Southwestern Medical Center have reported high-resolution, three-dimensional structures of the proteins, called neuroligin-1 and neurexin-1β, that form this connection.

  11. Highly oxidized superconductors

    DOE Patents [OSTI]

    Morris, Donald E.

    1994-01-01

    Novel superconducting materials in the form of compounds, structures or phases are formed by performing otherwise known syntheses in a highly oxidizing atmosphere rather than that created by molecular oxygen at atmospheric pressure or below. This leads to the successful synthesis of novel superconducting compounds which are thermodynamically stable at the conditions under which they are formed.

  12. Highly oxidized superconductors

    DOE Patents [OSTI]

    Morris, D.E.

    1994-09-20

    Novel superconducting materials in the form of compounds, structures or phases are formed by performing otherwise known synthesis in a highly oxidizing atmosphere rather than that created by molecular oxygen at atmospheric pressure or below. This leads to the successful synthesis of novel superconducting compounds which are thermodynamically stable at the conditions under which they are formed. 16 figs.

  13. Magnetic multilayer structure

    DOE Patents [OSTI]

    Herget, Philipp; O'Sullivan, Eugene J.; Romankiw, Lubomyr T.; Wang, Naigang; Webb, Bucknell C.

    2016-07-05

    A mechanism is provided for an integrated laminated magnetic device. A substrate and a multilayer stack structure form the device. The multilayer stack structure includes alternating magnetic layers and diode structures formed on the substrate. Each magnetic layer in the multilayer stack structure is separated from another magnetic layer in the multilayer stack structure by a diode structure.

  14. High temperature interface superconductivity

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

    Gozar, A.; Bozovic, I.

    2016-01-20

    High-Tc superconductivity at interfaces has a history of more than a couple of decades. In this review we focus our attention on copper-oxide based heterostructures and multi-layers. We first discuss the technique, atomic layer-by-layer molecular beam epitaxy (ALL-MBE) engineering, that enabled High-Tc Interface Superconductivity (HT-IS), and the challenges associated with the realization of high quality interfaces. Then we turn our attention to the experiments which shed light on the structure and properties of interfacial layers, allowing comparison to those of single-phase films and bulk crystals. Both ‘passive’ hetero-structures as well as surface-induced effects by external gating are discussed. Here, wemore » conclude by comparing HT-IS in cuprates and in other classes of materials, especially Fe-based superconductors, and by examining the grand challenges currently laying ahead for the field.« less

  15. Facile One-Pot Synthesis of Porphyrin Based Porous Polymer Networks...

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

    by the aromatic substitution reactions of pyrrole and aldehydes. PPN-24(Fe) shows high catalytic efficiency as a biomimetic catalyst in the oxidation reaction of...

  16. Process to make structured particles

    DOE Patents [OSTI]

    Knapp, Angela Michelle; Richard, Monique N; Luhrs, Claudia; Blada, Timothy; Phillips, Jonathan

    2014-02-04

    Disclosed is a process for making a composite material that contains structured particles. The process includes providing a first precursor in the form of a dry precursor powder, a precursor liquid, a precursor vapor of a liquid and/or a precursor gas. The process also includes providing a plasma that has a high field zone and passing the first precursor through the high field zone of the plasma. As the first precursor passes through the high field zone of the plasma, at least part of the first precursor is decomposed. An aerosol having a second precursor is provided downstream of the high field zone of the plasma and the decomposed first material is allowed to condense onto the second precursor to from structured particles.

  17. Momentum-space electronic structures and charge orders of the high-temperature superconductors Ca2-xNaxCuO₂Cl₂ and Bi₂Sr₂CaCu₂O8+δ

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

    Meng, Jian-Qiao; Brunner, M.; Kim, K.-H.; Lee, H.-G.; Lee, S.-I.; Wen, J. S.; Xu, Z. J.; Gu, G. D.; Gweon, G.-H.

    2011-08-24

    We study the electronic structure of Ca2-xNaxCuO₂Cl₂ and Bi₂Sr₂CaCu₂O8+δ samples in a wide range of doping, using angle-resolved photoemission spectroscopy, with emphasis on the Fermi surface (FS) in the near antinodal region. The “nesting wave vector,” i.e., the wave vector that connects two nearly flat pieces of the FS in the antinodal region, reveals a universal monotonic decrease in magnitude as a function of doping. Comparing our results to the charge order recently observed by scanning tunneling spectroscopy (STS), we conclude that the FS nesting and the charge order pattern seen in STS do not have a direct relationship. Therefore,more » the charge order likely arises due to strong-correlation physics rather than FS nesting physics« less

  18. Momentum-space electronic structures and charge orders of the high-temperature superconductors Ca2-xNaxCuO₂Cl₂ and Bi₂Sr₂CaCu₂O8+δ

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

    Meng, Jian-Qiao; Brunner, M.; Kim, K.-H.; Lee, H.-G.; Lee, S.-I.; Wen, J. S.; Xu, Z. J.; Gu, G. D.; Gweon, G.-H.

    2011-08-24

    We study the electronic structure of Ca2-xNaxCuO₂Cl₂ and Bi₂Sr₂CaCu₂O8+δ samples in a wide range of doping, using angle-resolved photoemission spectroscopy, with emphasis on the Fermi surface (FS) in the near antinodal region. The “nesting wave vector,” i.e., the wave vector that connects two nearly flat pieces of the FS in the antinodal region, reveals a universal monotonic decrease in magnitude as a function of doping. Comparing our results to the charge order recently observed by scanning tunneling spectroscopy (STS), we conclude that the FS nesting and the charge order pattern seen in STS do not have a direct relationship. Therefore,more »the charge order likely arises due to strong-correlation physics rather than FS nesting physics« less

  19. High PRF high current switch

    DOE Patents [OSTI]

    Moran, Stuart L.; Hutcherson, R. Kenneth

    1990-03-27

    A triggerable, high voltage, high current, spark gap switch for use in pu power systems. The device comprises a pair of electrodes in a high pressure hydrogen environment that is triggered by introducing an arc between one electrode and a trigger pin. Unusually high repetition rates may be obtained by undervolting the switch, i.e., operating the trigger at voltages much below the self-breakdown voltage of the device.

  20. Automated High Throughput Drug Target Crystallography

    SciTech Connect (OSTI)

    Rupp, B

    2005-02-18

    The molecular structures of drug target proteins and receptors form the basis for 'rational' or structure guided drug design. The majority of target structures are experimentally determined by protein X-ray crystallography, which as evolved into a highly automated, high throughput drug discovery and screening tool. Process automation has accelerated tasks from parallel protein expression, fully automated crystallization, and rapid data collection to highly efficient structure determination methods. A thoroughly designed automation technology platform supported by a powerful informatics infrastructure forms the basis for optimal workflow implementation and the data mining and analysis tools to generate new leads from experimental protein drug target structures.

  1. ALSNews Vol. 332

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

    2 Print Hidden Rotational Symmetries in Magnetic Domain Patterns rotational symmetries While ubiquitous in nature, symmetry is not always evident. The first observation of hidden rotational symmetries in a magnetic system gives scientists a toolbox for discovering hidden symmetries in diverse material systems. Read more... Contact: Keoki Seu Borrowing from Nature to Produce Highly Structured Biomimetic Materials biomemetic materials Researchers have turned a benign virus into an engineering tool

  2. ALSNews Vol. 332

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

    2 ALSNews Vol. 332 Print Tuesday, 26 June 2012 11:06 Hidden Rotational Symmetries in Magnetic Domain Patterns rotational symmetries While ubiquitous in nature, symmetry is not always evident. The first observation of hidden rotational symmetries in a magnetic system gives scientists a toolbox for discovering hidden symmetries in diverse material systems. Read more... Contact: Keoki Seu Borrowing from Nature to Produce Highly Structured Biomimetic Materials biomemetic materials Researchers have

  3. ALSNews Vol. 332

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

    2 Print Hidden Rotational Symmetries in Magnetic Domain Patterns rotational symmetries While ubiquitous in nature, symmetry is not always evident. The first observation of hidden rotational symmetries in a magnetic system gives scientists a toolbox for discovering hidden symmetries in diverse material systems. Read more... Contact: Keoki Seu Borrowing from Nature to Produce Highly Structured Biomimetic Materials biomemetic materials Researchers have turned a benign virus into an engineering tool

  4. ALSNews Vol. 332

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

    32 Print Hidden Rotational Symmetries in Magnetic Domain Patterns rotational symmetries While ubiquitous in nature, symmetry is not always evident. The first observation of hidden rotational symmetries in a magnetic system gives scientists a toolbox for discovering hidden symmetries in diverse material systems. Read more... Contact: Keoki Seu Borrowing from Nature to Produce Highly Structured Biomimetic Materials biomemetic materials Researchers have turned a benign virus into an engineering

  5. ALSNews Vol. 332

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

    2 Print Hidden Rotational Symmetries in Magnetic Domain Patterns rotational symmetries While ubiquitous in nature, symmetry is not always evident. The first observation of hidden rotational symmetries in a magnetic system gives scientists a toolbox for discovering hidden symmetries in diverse material systems. Read more... Contact: Keoki Seu Borrowing from Nature to Produce Highly Structured Biomimetic Materials biomemetic materials Researchers have turned a benign virus into an engineering tool

  6. ALSNews Vol. 332

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

    2 Print Hidden Rotational Symmetries in Magnetic Domain Patterns rotational symmetries While ubiquitous in nature, symmetry is not always evident. The first observation of hidden rotational symmetries in a magnetic system gives scientists a toolbox for discovering hidden symmetries in diverse material systems. Read more... Contact: Keoki Seu Borrowing from Nature to Produce Highly Structured Biomimetic Materials biomemetic materials Researchers have turned a benign virus into an engineering tool

  7. ALSNews Vol. 332

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

    ALSNews Vol. 332 Print Hidden Rotational Symmetries in Magnetic Domain Patterns rotational symmetries While ubiquitous in nature, symmetry is not always evident. The first observation of hidden rotational symmetries in a magnetic system gives scientists a toolbox for discovering hidden symmetries in diverse material systems. Read more... Contact: Keoki Seu Borrowing from Nature to Produce Highly Structured Biomimetic Materials biomemetic materials Researchers have turned a benign virus into an

  8. ALSNews Vol. 332

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

    ALSNews Vol. 332 Print Hidden Rotational Symmetries in Magnetic Domain Patterns rotational symmetries While ubiquitous in nature, symmetry is not always evident. The first observation of hidden rotational symmetries in a magnetic system gives scientists a toolbox for discovering hidden symmetries in diverse material systems. Read more... Contact: Keoki Seu Borrowing from Nature to Produce Highly Structured Biomimetic Materials biomemetic materials Researchers have turned a benign virus into an

  9. Incommensurate Structure of Phosphorus Phase IV

    SciTech Connect (OSTI)

    Fujihisa, Hiroshi; Gotoh, Yoshito; Yamawaki, Hiroshi; Sakashita, Mami; Takeya, Satoshi; Honda, Kazumasa; Akahama, Yuichi; Kawamura, Haruki; Ohishi, Yasuo

    2007-04-27

    There are six known phases for phosphorus at room temperature under high pressure. Only the structure of phase IV, which exists from 107 GPa to 137 GPa, remains unsolved. We performed a powder x-ray diffraction experiment and a Rietveld analysis and successfully determined its structure to be an incommensurately modulated structure by only 1 site of atomic position. High-pressure phases of halogens and chalcogens have previously been shown to have a similar modulated structure; however, phosphorus phase IV is different from them and was shown to be the third case.

  10. Structural study of ammonium metatungstate

    SciTech Connect (OSTI)

    Christian, Joel B. Whittingham, M. Stanley

    2008-08-15

    Several techniques have been used to study the structure of the Keggin-type polyoxometalate salt ammonium metatungstate (AMT)-(NH{sub 4}){sub 6}[H{sub 2}W{sub 12}O{sub 40}]*nH{sub 2}O, a potential fuel cell catalyst. The dehydrated salt is comprised of a mixture of crystallites of different unit cells in a centered eutactic cubic configuration, with an average unit cell of a{approx_equal}12.295. Varied orientations of the Keggin ions in the cubic arrangement create the differences, and orientational variation within each unit cell size represents an energy well. Progressive hydration of each crystallite leads to expansion of the lattice, with the degree of expansion depending on the locations of the water added in relation to the Keggin ion, which is influenced by cation location and hydrogen bonding. The structural hypothesis is supported by electron diffraction of single and multicrystal samples, by powder density measurements, X-ray powder diffraction studies, synchrotron powder X-ray diffraction, and a priori structural modeling studies. Based on the structure, projected active site densities are compared with nanostructured platinum catalysts for fuel cell application. - Graphical abstract: The structure of ammonium metatungstate powders are highly dependent on hydration and POM molecule rotation, with cation and hydrogen bonding forces directing a mixture of structures that have been studied with bulk and single-crystal methods. The illustration shows Monte Carlo simulated anion structural disorder for the fully dehydrated form of the title compound.

  11. Elastic anisotropy, vibrational, and thermodynamic properties of U{sub 2}Ti intermetallic compound with AlB{sub 2}-type structure under high pressure up to 100 GPa

    SciTech Connect (OSTI)

    Yang, Jinwen; Gao, Tao; Liu, Benqiong; Sun, Guangai; Chen, Bo

    2015-03-28

    Structural, elastic anisotropy, dynamical, and thermodynamic properties of U{sub 2}Ti have been studied by employing density functional theory and density functional perturbative theory. The optimized lattice parameters a, c, unit volume V, bulk modulus B, and bond lengths d{sub U-U}, d{sub U-Ti} of U{sub 2}Ti are in favorable agreement with the available experimental data and other theoretical values. The elastic constants under pressure were obtained using “energy-strain” method. The polycrystalline modulus, Poisson's ratio, brittle/ductile characteristics, Debye temperature and the integration of elastic wave velocities over different directions, and hardness under pressure are also evaluated successfully. The anisotropy of the directional bulk modulus and the Young's modulus is systematically predicted for the first time. It turns out that U{sub 2}Ti should be stabilized mechanically up to 100 GPa, this compound just possesses slightly elastic anisotropy at zero pressure; however, the anisotropy becomes more and more significant with the increasing pressure. In particular, the phonon dispersion curves and phonon density of state under pressure are reported for the first time. The Raman and infrared-active phonon modes at Γ point are further assigned. Our results indicate that U{sub 2}Ti is also stable dynamically up to 100 GPa. Additionally, within the calculated phonon density of states, the thermodynamic properties are predicted.

  12. Chemical and structural effects on the high-temperature mechanical behavior of (1−x)(Na{sub 1/2}Bi{sub 1/2})TiO{sub 3}-xBaTiO{sub 3} ceramics

    SciTech Connect (OSTI)

    Deluca, Marco; Picht, Gunnar; Hoffmann, Michael J.; Rechtenbach, Annett; Töpfer, Jörg; Schader, Florian H.; Webber, Kyle G.

    2015-04-07

    Bismuth sodium titanate–barium titanate [(1−x)(Na{sub 1/2}Bi{sub 1/2})TiO{sub 3}-xBaTiO{sub 3}, NBT-100xBT] is one of the most well studied lead-free piezoelectric materials due in large part to the high field-induced strain attainable in compositions near the morphotropic phase boundary (x = 0.06). The BaTiO{sub 3}-rich side of the phase diagram, however, has not yet been as comprehensively studied, although it might be important for piezoelectric and positive temperature coefficient ceramic applications. In this work, we present a thorough study of BaTiO{sub 3}-rich NBT-100xBT by ferroelastic measurements, dielectric permittivity, X-ray diffraction, and Raman spectroscopy. We show that the high-temperature mechanical behavior, i.e., above the Curie temperature, T{sub C}, is influenced by local disorder, which appears also in pure BT. On the other hand, in NBT-100xBT (x < 1.0), lattice distortion, i.e., tetragonality, increases, and this impacts both the mechanical and dielectric properties. This increase in lattice distortion upon chemical substitution is counterintuitive by merely reasoning on the ionic size, and is due to the change in the A-O bond character induced by the Bi{sup 3+} electron lone pair, as indicated by Raman spectroscopy.

  13. Variably porous structures

    DOE Patents [OSTI]

    Braun, Paul V.; Yu, Xindi

    2011-01-18

    A method of making a monolithic porous structure, comprises electrodepositing a material on a template; removing the template from the material to form a monolithic porous structure comprising the material; and electropolishing the monolithic porous structure.

  14. Polarity of annealing and structural analysis of the RNase H resistant alpha-5'-d(TACACA). beta-5'-r(AUGUGU) hybrid determined by high-field sup 1 H, sup 13 C, and sup 31 P NMR analysis

    SciTech Connect (OSTI)

    Gmeiner, W.H.; Rao, K.E.; Rayner, B.; Vasseur, J.J.; Morvan, F.; Imbach, J.L.; Lown, J.W. )

    1990-11-13

    The novel hybrid duplex alpha-5'-d(TACACA)-3'.beta-5'-r(AUGUGU)-3' was analyzed extensively by 1D and 2D NMR methods. Two forms of the duplex exist in about an 80:20 ratio. Analysis of the exchangeable imino protons of the major component revealed that three AU and one AT base pair are present in addition to two GC base pairs, confirming that the duplex anneals in parallel orientation. The presence of the AT base pair, which can only be accounted for by a parallel duplex, was confirmed by a selective INEPT experiment, which correlated the thymidine imino proton to its C5 carbon. The lesser antiparallel form could be detected by exchangeable and nonexchangeable proton resonances in both strands. An exchange peak was observed in the NOESY spectrum for the thymidine methyl group resonance in both the predominant and lesser conformations, indicating the lifetime of the individual structures was on the millisecond time scale. The nonexchangeable protons of the predominant duplex were assigned by standard methods. The sugar pucker of the ribonucleosides was determined to be of the S type by a pseudorotation analysis according to Altona, with the J-couplings measured from the multiplet components of the phase-sensitive COSY experiment. The NOE pattern observed for the alpha-deoxynucleosides also suggested an S-type sugar pucker. The adoption of an S-type sugar pucker for both strands indicates that, in contrast to RNA.DNA duplexes formed exclusively from beta-nucleotides, the alpha-DNA.beta-RNA duplex may form a B-type helix. The 31P resonances of the alpha and beta strands have very different chemical shifts in the hybrid duplex and the difference persists above the helix melting temperature, indicating an intrinsic difference in 31P chemical shift for nucleotides differing only in the configuration about the glycosidic bond.

  15. THE STRUCTURE AND EMISSION MODEL OF THE RELATIVISTIC JET IN THE QUASAR 3C 279 INFERRED FROM RADIO TO HIGH-ENERGY {gamma}-RAY OBSERVATIONS IN 2008-2010

    SciTech Connect (OSTI)

    Hayashida, M.; Madejski, G. M.; Chiang, J.; Blandford, R. D.; Buehler, R.; Sikora, M.; Wehrle, A. E.; Ogle, P.; Collmar, W.; Larsson, S.; Fukazawa, Y.; Itoh, R.; Stawarz, L.; Richards, J. L.; Max-Moerbeck, W.; Readhead, A.; Cavazzuti, E.; Ciprini, S.; Gehrels, N. E-mail: madejski@slac.stanford.edu E-mail: sikora@camk.edu.pl; and others

    2012-08-01

    We present time-resolved broadband observations of the quasar 3C 279 obtained from multi-wavelength campaigns conducted during the first two years of the Fermi Gamma-ray Space Telescope mission. While investigating the previously reported {gamma}-ray/optical flare accompanied by a change in optical polarization, we found that the optical emission appears to be delayed with respect to the {gamma}-ray emission by about 10 days. X-ray observations reveal a pair of 'isolated' flares separated by {approx}90 days, with only weak {gamma}-ray/optical counterparts. The spectral structure measured by Spitzer reveals a synchrotron component peaking in the mid-infrared band with a sharp break at the far-infrared band during the {gamma}-ray flare, while the peak appears in the millimeter (mm)/submillimeter (sub-mm) band in the low state. Selected spectral energy distributions are fitted with leptonic models including Comptonization of external radiation produced in a dusty torus or the broad-line region. Adopting the interpretation of the polarization swing involving propagation of the emitting region along a curved trajectory, we can explain the evolution of the broadband spectra during the {gamma}-ray flaring event by a shift of its location from {approx}1 pc to {approx}4 pc from the central black hole. On the other hand, if the {gamma}-ray flare is generated instead at sub-pc distance from the central black hole, the far-infrared break can be explained by synchrotron self-absorption. We also model the low spectral state, dominated by the mm/sub-mm peaking synchrotron component, and suggest that the corresponding inverse-Compton component explains the steady X-ray emission.

  16. Ultra high resolution tomography

    SciTech Connect (OSTI)

    Haddad, W.S.

    1994-11-15

    Recent work and results on ultra high resolution three dimensional imaging with soft x-rays will be presented. This work is aimed at determining microscopic three dimensional structure of biological and material specimens. Three dimensional reconstructed images of a microscopic test object will be presented; the reconstruction has a resolution on the order of 1000 A in all three dimensions. Preliminary work with biological samples will also be shown, and the experimental and numerical methods used will be discussed.

  17. Structural Molecular Biology, SSRL

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

    Workshops & Summer Schools Summer Students Structural Molecular Biology Illuminating ... major experimental driver for structural biology research, serving the needs of a large ...

  18. SSI (soil-structure interactions) and structural benchmarks

    SciTech Connect (OSTI)

    Philippacopoulos, A.J.; Miller, C.A.; Costantino, C.J.; Graves, H.

    1986-01-01

    This paper presents the latest results of the ongoing program entitled, ''Standard Problems for Structural Computer Codes'', currently being worked on at BNL for the USNRC, Office of Nuclear Regulatory Research. During FY 1986, efforts were focussed on three tasks, namely, (1) an investigation of ground water effects on the response of Category I structures, (2) the Soil-Structure Interaction Workshop and (3) studies on structural benchmarks associated with Category I structures. The objective of the studies on ground water effects is to verify the applicability and the limitations of the SSI methods currently used by the industry in performing seismic evaluations of nuclear plants which are located at sites with high water tables. In a previous study by BNL (NUREG/CR-4588), it has been concluded that the pore water can influence significantly the soil-structure interaction process. This result, however, is based on the assumption of fully saturated soil profiles. Consequently, the work was further extended to include cases associated with variable water table depths. In this paper, results related to ''cut-off'' depths beyond which the pore water effects can be ignored in seismic calculations, are addressed. Comprehensive numerical data are given for soil configurations typical to those encountered in nuclear plant sites. These data were generated by using a modified version of the SLAM code which is capable of handling problems related to the dynamic response of saturated soils.

  19. Highly cross-linked nanoporous polymers

    DOE Patents [OSTI]

    Steckle, Jr., Warren P.; Apen, Paul G.; Mitchell, Michael A.

    1998-01-01

    Condensation polymerization followed by a supercritical extraction step can be used to obtain highly cross-linked nanoporous polymers with high surface area, controlled pore sizes and rigid structural integrity. The invention polymers are useful for applications requiring separation membranes.

  20. Highly cross-linked nanoporous polymers

    DOE Patents [OSTI]

    Steckle, Jr., Warren P.; Apen, Paul G.; Mitchell, Michael A.

    1997-01-01

    Condensation polymerization followed by a supercritical extraction step can be used to obtain highly cross-linked nanoporous polymers with high surface area, controlled pore sizes and rigid structural integrity. The invention polymers are useful for applications requiring separation membranes.

  1. Theory of factors limiting high gradient operation of warm acceleratin...

    Office of Scientific and Technical Information (OSTI)

    Theory of factors limiting high gradient operation of warm accelerating structures Citation Details In-Document Search Title: Theory of factors limiting high gradient operation of ...

  2. High Temperature Membrane with HUmidification-Independent Cluster...

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

    High Temperature Membrane with HUmidification-Independent Cluster Structure A presentation ... More Documents & Publications High Temperature Membrane Working Group New Proton ...

  3. Development of High-Capacity Cathode Materials with Integrated...

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

    & Publications Development of High-Capacity Cathode Materials with Integrated Structures Vehicle Technologies Office Merit Review 2015: Design and Evaluation of High...

  4. Method of casting patterned dielectric structures

    DOE Patents [OSTI]

    Poco, John F.; Hrubesh, Lawrence W.

    2001-01-01

    A pattern of dielectric structures are formed directly on a substrate in a single step using sol-gel chemistry and molding procedures. The resulting dielectric structures are useful in vacuum applications for electronic devices. Porous, lightweight structures having a high aspect ratio that are suitable for use as spacers between the faceplate and baseplate of a field emission display can be manufactured using this method.

  5. Stabilized fuel with silica support structure

    SciTech Connect (OSTI)

    Poco, J.F.; Hrubesh, L.W.

    1991-12-31

    This report describes a stabilized fuel which is supported by a silica support structure. The silica support structure provides a low density, high porosity vehicle for safely carrying hydrocarbon fuels. The silica support structure for hydrocarbon fuel does not produce toxic material residues on combustion which would pose environmentally sensitive disposal problems. The silica stabilized fuel composition is useful as a low temperature, continuous burning fire starter for wood or charcoal.

  6. Hydrogen embrittlement of structural steels.

    SciTech Connect (OSTI)

    Somerday, Brian P.

    2010-06-01

    Carbon-manganese steels are candidates for the structural materials in hydrogen gas pipelines, however it is well known that these steels are susceptible to hydrogen embrittlement. Decades of research and industrial experience have established that hydrogen embrittlement compromises the structural integrity of steel components. This experience has also helped identify the failure modes that can operate in hydrogen containment structures. As a result, there are tangible ideas for managing hydrogen embrittement in steels and quantifying safety margins for steel hydrogen containment structures. For example, fatigue crack growth aided by hydrogen embrittlement is a key failure mode for steel hydrogen containment structures subjected to pressure cycling. Applying appropriate structural integrity models coupled with measurement of relevant material properties allows quantification of safety margins against fatigue crack growth in hydrogen containment structures. Furthermore, application of these structural integrity models is aided by the development of micromechanics models, which provide important insights such as the hydrogen distribution near defects in steel structures. The principal objective of this project is to enable application of structural integrity models to steel hydrogen pipelines. The new American Society of Mechanical Engineers (ASME) B31.12 design code for hydrogen pipelines includes a fracture mechanics-based design option, which requires material property inputs such as the threshold for rapid cracking and fatigue crack growth rate under cyclic loading. Thus, one focus of this project is to measure the rapid-cracking thresholds and fatigue crack growth rates of line pipe steels in high-pressure hydrogen gas. These properties must be measured for the base materials but more importantly for the welds, which are likely to be most vulnerable to hydrogen embrittlement. The measured properties can be evaluated by predicting the performance of the pipeline

  7. coherent-structures-html

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

    Role of Coherent Structures in Scour Process Around Bridge Piers and Abutments

  8. Heat pipe with embedded wick structure

    DOE Patents [OSTI]

    Adkins, D.R.; Shen, D.S.; Tuck, M.R.; Palmer, D.W.; Grafe, V.G.

    1998-06-23

    A heat pipe has an embedded wick structure that maximizes capillary pumping capability. Heat from attached devices such as integrated circuits evaporates working fluid in the heat pipe. The vapor cools and condenses on a heat dissipation surface. The condensate collects in the wick structure, where capillary pumping returns the fluid to high heat areas. 7 figs.

  9. Heat pipe with embedded wick structure

    DOE Patents [OSTI]

    Adkins, Douglas Ray; Shen, David S.; Tuck, Melanie R.; Palmer, David W.; Grafe, V. Gerald

    1998-01-01

    A heat pipe has an embedded wick structure that maximizes capillary pumping capability. Heat from attached devices such as integrated circuits evaporates working fluid in the heat pipe. The vapor cools and condenses on a heat dissipation surface. The condensate collects in the wick structure, where capillary pumping returns the fluid to high heat areas.

  10. Heat pipe with embedded wick structure

    DOE Patents [OSTI]

    Adkins, Douglas Ray (Albuquerque, NM); Shen, David S. (Albuquerque, NM); Tuck, Melanie R. (Albuquerque, NM); Palmer, David W. (Albuquerque, NM); Grafe, V. Gerald (Corrales, NM)

    1999-01-01

    A heat pipe has an embedded wick structure that maximizes capillary pumping capability. Heat from attached devices such as integrated circuits evaporates working fluid in the heat pipe. The vapor cools and condenses on a heat dissipation surface. The condensate collects in the wick structure, where capillary pumping returns the fluid to high heat areas.

  11. Electronic Structure Theory | Materials Science | NREL

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

    Electronic Structure Theory An image of multiple, interconnecting red and blue particles Using high-performance computing, NREL applies electronic structure theory to design and discover materials for energy applications. This includes detailed studies of the physical mechanisms that determine the material's behavior on an atomistic level. Learn more about high-performance computing. Key Research Areas Materials by Design NREL leads the U.S. Department of Energy's Center for Next Generation of

  12. Structural Code Considerations for Solar Rooftop Installations.

    SciTech Connect (OSTI)

    Dwyer, Stephen F.; Dwyer, Brian P.; Sanchez, Alfred

    2014-12-01

    Residential rooftop solar panel installations are limited in part by the high cost of structural related code requirements for field installation. Permitting solar installations is difficult because there is a belief among residential permitting authorities that typical residential rooftops may be structurally inadequate to support the additional load associated with a photovoltaic (PV) solar installation. Typical engineering methods utilized to calculate stresses on a roof structure involve simplifying assumptions that render a complex non-linear structure to a basic determinate beam. This method of analysis neglects the composite action of the entire roof structure, yielding a conservative analysis based on a rafter or top chord of a truss. Consequently, the analysis can result in an overly conservative structural analysis. A literature review was conducted to gain a better understanding of the conservative nature of the regulations and codes governing residential construction and the associated structural system calculations.

  13. Structure of All-Polymer Solar Cells Impedes Efficiency

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

    Structure of All-Polymer Solar Cells Impedes Efficiency Structure of All-Polymer Solar Cells Impedes ... networks with sharp interfaces in order to produce high-efficiency devices. ...

  14. Collective network for computer structures

    DOE Patents [OSTI]

    Blumrich, Matthias A.; Coteus, Paul W.; Chen, Dong; Gara, Alan; Giampapa, Mark E.; Heidelberger, Philip; Hoenicke, Dirk; Takken, Todd E.; Steinmacher-Burow, Burkhard D.; Vranas, Pavlos M.

    2011-08-16

    A system and method for enabling high-speed, low-latency global collective communications among interconnected processing nodes. The global collective network optimally enables collective reduction operations to be performed during parallel algorithm operations executing in a computer structure having a plurality of the interconnected processing nodes. Router devices ate included that interconnect the nodes of the network via links to facilitate performance of low-latency global processing operations at nodes of the virtual network and class structures. The global collective network may be configured to provide global barrier and interrupt functionality in asynchronous or synchronized manner. When implemented in a massively-parallel supercomputing structure, the global collective network is physically and logically partitionable according to needs of a processing algorithm.

  15. Sierra Structural Dynamics User's Notes

    SciTech Connect (OSTI)

    Reese, Garth M.

    2015-10-19

    Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of weapons systems. This document provides a users guide to the input for Sierra/SD. Details of input specifications for the different solution types, output options, element types and parameters are included. The appendices contain detailed examples, and instructions for running the software on parallel platforms.

  16. Lithographically defined microporous carbon structures

    DOE Patents [OSTI]

    Burckel, David Bruce; Washburn, Cody M.; Polsky, Ronen; Brozik, Susan M.; Wheeler, David R.

    2013-01-08

    A lithographic method is used to fabricate porous carbon structures that can provide electrochemical electrodes having high surface area with uniform and controllable dimensions, providing enormous flexibility to tailor the electrodes toward specific applications. Metal nanoparticles deposited on the surface of the porous carbon electrodes exhibit ultra small dimensions with uniform size distribution. The resulting electrodes are rugged, electrically conductive and show excellent electrochemical behavior.

  17. Oxides having high energy densities

    DOE Patents [OSTI]

    Ceder, Gerbrand; Kang, Kisuk

    2013-09-10

    Certain disclosed embodiments generally relate to oxide materials having relatively high energy and/or power densities. Various aspects of the embodiments are directed to oxide materials having a structure B.sub.i(M.sub.jY.sub.k)O.sub.2, for example, a structure Li.sub.j(Ni.sub.jY.sub.k)O.sub.2 such as Li(Ni.sub.0.5Mn.sub.0.5)O.sub.2. In this structure, Y represents one or more atoms, each independently selected from the group consisting of alkaline earth metals, transition metals, Group 14 elements, Group 15, or Group 16 elements. In some embodiments, such an oxide material may have an O3 crystal structure, and/or a layered structure such that the oxide comprises a plurality of first, repeating atomic planes comprising Li, and a plurality of second, repeating atomic planes comprising Ni and/or Y.

  18. Structural characterization of thin film photonic crystals

    SciTech Connect (OSTI)

    Subramania, G.; Biswas, R.; Constant, K.; Sigalas, M. M.; Ho, K. M.

    2001-06-15

    We quantitatively analyze the structure of thin film inverse-opal photonic crystals composed of ordered arrays of air pores in a background of titania. Ordering of the sphere template and introduction of the titania background were performed simultaneously in the thin film photonic crystals. Nondestructive optical measurements of backfilling with high refractive index liquids, angle-resolved reflectivity, and optical spectroscopy were combined with band-structure calculations. The analysis reveals a thin film photonic crystal structure with a very high filling fraction (92{endash}94%) of air and a substantial compression along the c axis ({similar_to}22{endash}25%).

  19. Evolution on folding landscapes in combinatorial structures

    SciTech Connect (OSTI)

    Fraser, S.M.; Reidys, C.M.

    1997-11-01

    In this paper the authors investigate the evolution of molecular structures by random point mutations. They will consider two types of molecular structures: (a) (RNA) secondary structures, and (b) random structures. In both cases structure consists of: (1) a contact graph, and (2) a family of relations imposed on its adjacent vertices. The vertex set of the contact graph is simply the set of all indices of a sequence, and its edges are the bonds. The corresponding relations associated with the edges are viewed as secondary base pairing rules and tertiary interaction rules respectively. Mapping of sequences into secondary and random structures are modeled and analyzed. Here, the set of all sequences that map into a particular structure is modeled as a random graph in the sequence space, the so called neutral network and they study how neutral networks are embedded in sequence space. A basic replication of deletion experiment reveals how effective secondary and random structures can be searched by random point mutations and to what extent the structure effects the dynamics of this optimization process. In particular the authors can report a nonlinear relation between the fraction of tertiary interactions in random structures, and the times taken for a population of sequences to find a high fitness target random structure.

  20. Method of manufacturing a heat pipe wick with structural enhancement

    DOE Patents [OSTI]

    Andraka, Charles E.; Adkins, Douglas R.; Moreno, James B.; Rawlinson, K. Scott; Showalter, Steven K.; Moss, Timothy A.

    2006-10-24

    Heat pipe wick structure wherein a stout sheet of perforated material overlays a high performance wick material such as stainless steel felt affixed to a substrate. The inventive structure provides a good flow path for working fluid while maintaining durability and structural stability independent of the structure (or lack of structure) associated with the wick material. In one described embodiment, a wick of randomly laid .about.8 micron thickness stainless steel fibers is sintered to a metal substrate and a perforated metal overlay.