National Library of Energy BETA

Sample records for byproducts ab source

  1. Current regulatory and licensing status for byproduct sources, facilities and applications

    SciTech Connect (OSTI)

    Tingey, G.L.; Jensen, G.A.; Hazelton, R.F.

    1985-02-01

    Public use of nuclear byproducts, especially radioactive isotopes, will require approval by various regulatory agencies. Use of cesium-137 as an irradiation source for sterilizing medical products will require US Nuclear Regulatory Commission (NRC) approval. Two applications have been filed with NRC, and approval is expected soon. Widespread use of irradiation for food products depends on a favorable ruling by the Food and Drug Administration (FDA). A ruling is pending that would permit irradiation of fruits and vegetables up to 100 krad. NRC also controls the use of isotopes in remote power generators, but little regulatory action has been required in recent years. Recent development of radioluminescent (RL) lighting for runway lights has led to interest by commercial manufacturers. At the present time, a license has been issued to at least one manufacturer for sale of tritium-powered runway lights. 28 refs., 1 fig.

  2. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    Center for By-Products Utilization USE OF CLEAN COAL ASH AS SETTING TIME REGULATOR IN PORTLAND OF WISCONSIN ­ MILWAUKEE #12;2 Use of Clean Coal Ash as Setting Time Regulator in Portland Cement by Zichao Wu as setting time regulator for portland cement production. In this paper a source of clean coal ash (CCA

  3. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    wood with supplementary fuels such as coal, oil, natural gas, and coke by pulp and paper mills and wood, knots, chips, etc. with other supplementary fuels such as coal, oil, natural gas, and coke to generateCenter for By-Products Utilization DEVELOPMENT OF CLSM USING COAL ASH AND WOOD ASH, A SOURCE OF NEW

  4. Performance evaluation of source extraction in wireless sensor networks Hong-Bin Chen a,b,*, Chi Kong Tse a

    E-Print Network [OSTI]

    Tse, Chi K. "Michael"

    Performance evaluation of source extraction in wireless sensor networks Hong-Bin Chen a,b,*, Chi wireless sensor networks are evaluated. The sensor observations are assumed to be linear instantaneous: Available online 6 May 2008 Keywords: Wireless sensor network Blind source separation Cluster Performance

  5. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

    Paul Ziemkiewicz; Tamara Vandivort; Debra Pflughoeft-Hassett; Y. Paul Chugh; James Hower

    2008-08-31

    Ashlines: To promote and support the commercially viable and environmentally sound recycling of coal combustion byproducts for productive uses through scientific research, development, and field testing.

  6. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    Center for By-Products Utilization USE OF CLEAN-COAL ASH FOR MANAGING ASR By Zichao Wu and Tarun R College of Engineering and Applied Science THE UNIVERSITY OF WISCONSIN­MILWAUKEE #12;USE OF CLEAN-COAL ASH combustion by-products (such as clean-coal ash) from power plants. Maximum recycling of such by- products

  7. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    dioxide control technologies. Figure 1 shows clean coal technology benefits(2) . In 1977, the conceptCenter for By-Products Utilization CLEAN COAL BY-PRODUCTS UTILIZATION IN ROADWAY, EMBANKMENTS electricity production is from the use of coal-based technologies(1) . This production is estimated

  8. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    combustion by-products #12;3 generated by using both conventional and clean-coal technologies. A clean-coal that obtained from clean-coal technology, are not utilized in cast-concrete masonry products (bricks, blocksCenter for By-Products Utilization RECENT ADVANCES IN RECYCLING CLEAN- COAL ASH By Tarun R. Naik

  9. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    Center for By-Products Utilization DRAFT REPORT CARBON DIOXIDE SEQUESTRATION IN CEMENTITIOUS-MILWAUKEE #12;CARBON DIOXIDE SEQUESTRATION IN CEMENTITIOUS PRODUCTS Progress Report by Tarun R. Naik, Rakesh of Carbon Dioxide Sequestration Technologies

  10. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

    Ziemkiewicz, Paul; Vandivort, Tamara; Pflughoeft-Hassett, Debra; Chugh, Y Paul; Hower, James

    2008-08-31

    Each year, over 100 million tons of solid byproducts are produced by coal-burning electric utilities in the United States. Annual production of flue gas desulfurization (FGD) byproducts continues to increase as the result of more stringent sulfur emission restrictions. In addition, stricter limits on NOx emissions mandated by the 1990 Clean Air Act have resulted in utility burner/boiler modifications that frequently yield higher carbon concentrations in fly ash, which restricts the use of the ash as a cement replacement. Controlling ammonia in ash is also of concern. If newer, “clean coal” combustion and gasification technologies are adopted, their byproducts may also present a management challenge. The objective of the Combustion Byproducts Recycling Consortium (CBRC) is to develop and demonstrate technologies to address issues related to the recycling of byproducts associated with coal combustion processes. A goal of CBRC is that these technologies, by the year 2010, will lead to an overall ash utilization rate from the current 34% to 50% by such measures as increasing the current rate of FGD byproduct use and increasing in the number of uses considered “allowable” under state regulations. Another issue of interest to the CBRC would be to examine the environmental impact of both byproduct utilization and disposal. No byproduct utilization technology is likely to be adopted by industry unless it is more cost-effective than landfilling. Therefore, it is extremely important that the utility industry provide guidance to the R&D program. Government agencies and privatesector organizations that may be able to utilize these materials in the conduct of their missions should also provide input. The CBRC will serve as an effective vehicle for acquiring and maintaining guidance from these diverse organizations so that the proper balance in the R&D program is achieved.

  11. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

    Paul Ziemkiewicz; Tamara Vandivort; Debra Pflughoeft-Hassett; Y. Paul Chugh; James Hower

    2008-08-31

    The Combustion Byproducts Recycling Consortium (CBRC) program was developed as a focused program to remove and/or minimize the barriers for effective management of over 123 million tons of coal combustion byproducts (CCBs) annually generated in the USA. At the time of launching the CBRC in 1998, about 25% of CCBs were beneficially utilized while the remaining was disposed in on-site or off-site landfills. During the ten (10) year tenure of CBRC (1998-2008), after a critical review, 52 projects were funded nationwide. By region, the East, Midwest, and West had 21, 18, and 13 projects funded, respectively. Almost all projects were cooperative projects involving industry, government, and academia. The CBRC projects, to a large extent, successfully addressed the problems of large-scale utilization of CCBs. A few projects, such as the two Eastern Region projects that addressed the use of fly ash in foundry applications, might be thought of as a somewhat smaller application in comparison to construction and agricultural uses, but as a novel niche use, they set the stage to draw interest that fly ash substitution for Portland cement might not attract. With consideration of the large increase in flue gas desulfurization (FGD) gypsum in response to EPA regulations, agricultural uses of FGD gypsum hold promise for large-scale uses of a product currently directed to the (currently stagnant) home construction market. Outstanding achievements of the program are: (1) The CBRC successfully enhanced professional expertise in the area of CCBs throughout the nation. The enhanced capacity continues to provide technology and information transfer expertise to industry and regulatory agencies. (2) Several technologies were developed that can be used immediately. These include: (a) Use of CCBs for road base and sub-base applications; (b) full-depth, in situ stabilization of gravel roads or highway/pavement construction recycled materials; and (c) fired bricks containing up to 30%-40% F-fly ash. Some developed technologies have similar potential in the longer term. (3) Laboratory studies have been completed that indicate that much higher amounts of fly ash could be added in cement-concrete applications under some circumstances. This could significantly increase use of fly ash in cement-concrete applications. (4) A study of the long-term environmental effects of structural fills in a surface mine in Indiana was completed. This study has provided much sought after data for permitting large-volume management options in both beneficial as well as non-beneficial use settings. (5) The impact of CBRC on CCBs utilization trends is difficult to quantify. However it is fair to say that the CBRC program had a significant positive impact on increased utilization of CCBs in every region of the USA. Today, the overall utilization of CCBs is over 43%. (6) CBRC-developed knowledge base led to a large number of other projects completed with support from other sources of funding. (7) CBRC research has also had a large impact on CCBs management across the globe. Information transfer activities and visitors from leading coal producing countries such as South Africa, Australia, England, India, China, Poland, Czech Republic and Japan are truly noteworthy. (8) Overall, the CBRC has been a truly successful, cooperative research program. It has brought together researchers, industry, government, and regulators to deal with a major problem facing the USA and other coal producing countries in the world.

  12. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    Center for By-Products Utilization HIGH-STRENGTH HVFA CONCRETE CONTAINING CLEAN COAL ASH By Tarun R #12;1 HIGH-STRENGTH HVFA CONCRETE CONTAINING CLEAN COAL ASH By Tarun R. Naik, Shiw S. Singh, and Bruce for manufacture of cement-based products using ashes generated from combustion of high-sulfur coals. A clean coal

  13. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    Center for By-Products Utilization CHARACTERIZATION AND APPLICATION OF CLASSF FLY ASHCOAL AND CLEAN-COAL #12;-1- CHARACTERIZATION AND APPLICATION OF CLASSF FLYASHCOAL AND CLEAN-COAL ASHFOR CEMENT -Milwaukee (UWM) Daniel D.Banerjee, Project Manager,Illinois Clean Coal Institute RudolphN.Kraus, Research

  14. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    Center for By-Products Utilization USE OF CLASS F FLY ASH AND CLEAN-COAL ASH BLENDS FOR CAST OF CLASS F FLYASHAND CLEAN-COAL ASHBLENDS FOR CAST CONCRETE PRODUCTS Authors: TarunR.Naik, Director, Center,Illinois Clean Coal Institute RudolphN.Kraus, Research Associate, UWM Center forBy-Products Utilization Shiw S

  15. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    CONTAINING CLEAN-COAL ASH AND CLASS F FLY ASH By Tarun R. Naik, Rudolph N. Kraus, Rafat Siddique of HVFA Concrete Containing Clean-Coal Ash and Class F Fly Ash By Tarun R. Naik Director, UWM Center for By-Products Utilization and Francois Botha Project Manager, Illinois Clean Coal Institute Synopsis

  16. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    Center for By-Products Utilization CARBON DIOXIDE SEQUESTRATION IN NO-FINES CONCRETE By Tarun R;CARBON DIOXIDE SEQUESTRATION IN NO-FINES CONCRETE ABSTRACT By Tarun, R. Naik, Yoon-moon Chun, Rudolph N. Kraus, and Fethullah Canpolat This paper presents a detailed experimental study on the sequestration

  17. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    flue gas. Detailed results are presented. Keywords: carbon dioxide sequestration, carbonation, carbonCenter for By-Products Utilization CO2 SEQUESTRATION IN FOAMED CONTROLLED LOW STRENGTH MATERIALS #12;1 CO2 SEQUESTRATION IN FOAMED CONTROLLED LOW STRENGTH MATERIALS by Tarun R. Naik, Rudolph N. Kraus

  18. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    of coal in conventional and/ or advanced clean coal technology combustors. These include fly ash, bottom ash, boiler slag, and flue gas desulfurization (FGD) by-products from advanced clean coal technology clean coal technology combustors. Over 60% of the CCBs are generated as fly ash. An estimate

  19. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    clean coal technology, are not extensively utilized in the cast concrete masonry products (bricks both conventional and clean coal technologies. A clean coal ash is defined as the ash derived from SO2Center for By-Products Utilization USE OF CLASS F FLY ASH AND CLEAN-COAL ASH BLENDS FOR CAST

  20. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    Issued to the Illinois Clean Coal Institute For Project 02-1/3.1D-2 Department of Civil Engineering of technology and market development for controlled low-strength material (CLSM) slurry using Illinois coal ashCenter for By-Products Utilization IMPLEMENTATION OF FLOWABLE SLURRY TECHNOLOGY IN ILLINOIS

  1. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    in a combination with a number of fuels including coal, petroleum coke, natural gas, etc. In the mid 1990s, the unit was firing a combination of coal and petroleum coke to generate energy. It has been established;1 PROJECT 1 - COAL COMBUSTION BY-PRODUCTS: CHARACTERIZATION AND USE OPTIONS Introduction An AFBC system

  2. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    with supplementary fuels such as coal, oil, natural gas, and coke by pulp and paper mills and wood, such as bark, twigs, knots, chips, etc. with other supplementary fuels such as coal, oil, natural gas, and cokeCenter for By-Products Utilization CLSM CONTAINING MIXTURES OF COAL ASH AND A NEW POZZOLANIC

  3. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    ), at 28 days, using various sources of ASTM Class F and clean coal fly ashes. For each reference mixture

  4. Methane in the southern North Sea: Sources, spatial distribution and budgets Maik Grunwald a,*, Olaf Dellwig a,b

    E-Print Network [OSTI]

    Dippner, Joachim W.

    Methane in the southern North Sea: Sources, spatial distribution and budgets Maik Grunwald a December 2008 Keywords: methane North Sea Wadden Sea Weser pore water budget calculation a b s t r a c t Measurements of methane (CH4) so far have always shown supersaturation in the entire North Sea relative

  5. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    Presented at Residue-to-Revenue: Residual Wood Conference, Richmond, BC, CANADA November 2001 Department properties of wood ash derived from various sources in the USA and Canada; and, to determine its potential C 618 [13] developed for volcanic ash and coal fly ash for use in concrete, was used to determine

  6. Production of precipitated calcium carbonate from industrial by-product slags (Slag2PCC)

    E-Print Network [OSTI]

    Zevenhoven, Ron

    Production of precipitated calcium carbonate from industrial by-product slags (Slag2PCC) Saostetun silicates, can be found in industrial waste materials and by-products besides its natural sources (Huijgen this makes iron- 304 #12;and steelmaking slags attractive raw materials for carbonation. The product from

  7. Chemical production from industrial by-product gases: Final report

    SciTech Connect (OSTI)

    Lyke, S.E.; Moore, R.H.

    1981-04-01

    The potential for conservation of natural gas is studied and the technical and economic feasibility and the implementation of ventures to produce such chemicals using carbon monoxide and hydrogen from byproduct gases are determined. A survey was performed of potential chemical products and byproduct gas sources. Byproduct gases from the elemental phosphorus and the iron and steel industries were selected for detailed study. Gas sampling, preliminary design, market surveys, and economic analyses were performed for specific sources in the selected industries. The study showed that production of methanol or ammonia from byproduct gas at the sites studied in the elemental phosphorus and the iron and steel industries is technically feasible but not economically viable under current conditions. Several other applications are identified as having the potential for better economics. The survey performed identified a need for an improved method of recovering carbon monoxide from dilute gases. A modest experimental program was directed toward the development of a permselective membrane to fulfill that need. A practical membrane was not developed but further investigation along the same lines is recommended. (MCW)

  8. Thermonuclear Reflect AB-Reactor

    E-Print Network [OSTI]

    Alexander Bolonkin

    2008-03-26

    The author offers a new kind of thermonuclear reflect reactor. The remarkable feature of this new reactor is a three net AB reflector, which confines the high temperature plasma. The plasma loses part of its energy when it contacts with the net but this loss can be compensated by an additional permanent plasma heating. When the plasma is rarefied (has a small density), the heat flow to the AB reflector is not large and the temperature in the triple reflector net is lower than 2000 - 3000 K. This offered AB-reactor has significantly less power then the currently contemplated power reactors with magnetic or inertial confinement (hundreds-thousands of kW, not millions of kW). But it is enough for many vehicles and ships and particularly valuable for tunnelers, subs and space apparatus, where air to burn chemical fuel is at a premium or simply not available. The author has made a number of innovations in this reactor, researched its theory, developed methods of computation, made a sample computation of typical project. The main point of preference for the offered reactor is its likely cheapness as a power source. Key words: Micro-thermonuclear reactor, Multi-reflex AB-thermonuclear reactor, Self-magnetic AB-thermonuclear reactor, aerospace thermonuclear engine.

  9. Design manual for management of solid by-products from advanced coal technologies

    SciTech Connect (OSTI)

    1994-10-01

    Developing coal conversion technologies face major obstacles in byproduct management. This project has developed several management strategies based on field trials of small-scale landfills in an earlier phase of the project, as well as on published/unpublished sources detailing regulatory issues, current industry practice, and reuse opportunities. Field testing, which forms the basis for several of the disposal alternatives presented in this design manual, was limited to byproducts from Ca-based dry SO{sub 2} control technologies, circulating fluidized bed combustion ash, and bubbling bed fluidized bed combustion ash. Data on byproducts from other advanced coal technologies and on reuse opportunities are drawn from other sources (citations following Chapter 3). Field results from the 5 test cases examined under this project, together with results from other ongoing research, provide a basis for predictive modeling of long-term performance of some advanced coal byproducts on exposure to ambient environment. This manual is intended to provide a reference database and development plan for designing, permitting, and operating facilities where advanced coal technology byproducts are managed.

  10. LOW-COST, HIGH-PERFORMANCE MATERIALS USING ILLINOIS COAL COMBUSTION BY-PRODUCTS

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    conventional and clean coal technologies. This project was primarily directed toward developing concrete technologies. Based on these properties, two sources of both conventional and clean coal ashes were selected technology for high-volume applications of Illinois coal combustion by-products generated by using both

  11. Land application uses for dry FGD by-products. Phase 2 report

    SciTech Connect (OSTI)

    Stehouwer, R.; Dick, W.; Bigham, J.

    1996-03-01

    A study was initiated in December 1990 to demonstrate large volume beneficial uses of flue gas desulfurization (FGD) by-products. A Phase 1 report provided results of an extensive characterization of chemical, physical, mineralogical and engineering properties of 58 dry FGD by-product samples. The Phase 1 report concluded that high volume beneficial reuses will depend on the economics related to their ability to substitute for existing materials for various types of applications (e.g. as an agricultural liming material, soil borrow for highway embankment construction, and reclamation of active and abandoned surface coal mine lands). Phase 2 objectives were (1) to conduct laboratory and greenhouse studies of FGD and soil (spoil) mixtures for agronomic and engineering applications, (2) to initiate field studies related to high volume agronomic and engineering uses, and (3) to develop the basic methodological framework for estimation of the financial and economic costs and benefits to society of several FGD reuse options and to make some preliminary runs of economic models. High volume beneficial reuses of dry FGD by-products have been successfully demonstrated. Adverse environmental impacts have been negligible. Although few sources of dry FGD by-products currently exist in Ohio and the United States there is potential for smaller coal-fired facilities to adopt S0{sub 2} scrubbing technologies that produce dry FGD material. Also much of what we have learned from studies on dry FGD by-products is applicable to the more prevalent wet FGD by-products. The adaptation of the technologies demonstrated in this project seem to be not only limited by economic constraints, but even more so, by the need to create awareness of the market potential of using these FGD by-products.

  12. AB Space Engine

    E-Print Network [OSTI]

    Alexander Bolonkin

    2008-03-02

    On 4 January 2007 the author published the article Wireless Transfer of Electricity in Outer Space in http://arxiv.org wherein he offered and researched a new revolutionary method of transferring electric energy in space. In that same article, he offered a new engine which produces a large thrust without throwing away large amounts of reaction mass (unlike the conventional rocket engine). In the current article, the author develops the theory of this kind of impulse engine and computes a sample project which shows the big possibilities opened by this new AB-Space Engine. The AB-Space Engine gets the energy from ground-mounted power; a planet electric station can transfer electricity up to 1000 millions (and more) of kilometers by plasma wires. Author shows that AB-Space Engine can produce thrust of 10 tons (and more). That can accelerate a space ship to some thousands of kilometers/second. AB-Space Engine has a staggering specific impulse owing to the very small mass expended. The AB-Space Engine reacts not by expulsion of its own mass (unlike rocket engine) but against the mass of its planet of origin (located perhaps a thousand of millions of kilometers away) through the magnetic field of its plasma cable. For creating this plasma cable the AB-Space Engine spends only some kg of hydrogen.

  13. Advanced Gasification By-Product Utilization

    SciTech Connect (OSTI)

    Rodney Andrews; Aurora Rubel; Jack Groppo; Brock Marrs; Ari Geertsema; Frank Huggins; M. Mercedes Maroto-Valer; Brandie M. Markley; Zhe Lu; Harold Schobert

    2006-08-31

    With the passing of legislation designed to permanently cap and reduce mercury emissions from coal-fired utilities, it is more important than ever to develop and improve upon methods of controlling mercury emissions. One promising technique is carbon sorbent injection into the flue gas of the coal-fired power plant. Currently, this technology is very expensive as costly commercially activated carbons are used as sorbents. There is also a significant lack of understanding of the interaction between mercury vapor and the carbon sorbent, which adds to the difficulty of predicting the amount of sorbent needed for specific plant configurations. Due to its inherent porosity and adsorption properties as well as on-site availability, carbons derived from gasifiers are potential mercury sorbent candidates. Furthermore, because of the increasing restricted use of landfilling, the coal industry is very interested in finding uses for these materials as an alternative to the current disposal practice. The results of laboratory investigations and supporting technical assessments conducted under DOE Subcontract No. DE-FG26-03NT41795 are reported. This contract was with the University of Kentucky Research Foundation, which supports work with the University of Kentucky Center for Applied Energy Research and The Pennsylvania State University Energy Institute. The worked described was part of a project entitled ''Advanced Gasification By-Product Utilization''. This work involved the development of technologies for the separation and characterization of coal gasification slags from operating gasification units, activation of these materials to increase mercury and nitrogen oxide capture efficiency, assessment of these materials as sorbents for mercury and nitrogen oxides, assessment of the potential for leaching of Hg captured by the carbons, analysis of the slags for cement applications, and characterization of these materials for use as polymer fillers. The objectives of this collaborative effort between the University of Kentucky Center for Applied Energy Research (CAER), The Pennsylvania State University Energy Institute, and industry collaborators supplying gasifier char samples were to investigate the potential use of gasifier slag carbons as a source of low cost sorbent for Hg and NOX capture from combustion flue gas, concrete applications, polymer fillers and as a source of activated carbons. Primary objectives were to determine the relationship of surface area, pore size, pore size distribution, and mineral content on Hg storage of gasifier carbons and to define the site of Hg capture. The ability of gasifier slag carbon to capture NOX and the effect of NOX on Hg adsorption were goals. Secondary goals were the determination of the potential for use of the slags for cement and filler applications. Since gasifier chars have already gone through a devolatilization process in a reducing atmosphere in the gasifier, they only required to be activated to be used as activated carbons. Therefore, the principal objective of the work at PSU was to characterize and utilize gasification slag carbons for the production of activated carbons and other carbon fillers. Tests for the Hg and NOX adsorption potential of these activated gasifier carbons were performed at the CAER. During the course of this project, gasifier slag samples chemically and physically characterized at UK were supplied to PSU who also characterized the samples for sorption characteristics and independently tested for Hg-capture. At the CAER as-received slags were tested for Hg and NOX adsorption. The most promising of these were activated chemically. The PSU group applied thermal and steam activation to a representative group of the gasifier slag samples separated by particle sizes. The activated samples were tested at UK for Hg-sorption and NOX capture and the most promising Hg adsorbers were tested for Hg capture in a simulated flue gas. Both UK and PSU tested the use of the gasifier slag samples as fillers. The CAER analyzed the slags for possible use in cement applications

  14. AB Space Engine

    E-Print Network [OSTI]

    Bolonkin, Alexander

    2008-01-01

    On 4 January 2007 the author published the article Wireless Transfer of Electricity in Outer Space in http://arxiv.org wherein he offered and researched a new revolutionary method of transferring electric energy in space. In that same article, he offered a new engine which produces a large thrust without throwing away large amounts of reaction mass (unlike the conventional rocket engine). In the current article, the author develops the theory of this kind of impulse engine and computes a sample project which shows the big possibilities opened by this new AB-Space Engine. The AB-Space Engine gets the energy from ground-mounted power; a planet electric station can transfer electricity up to 1000 millions (and more) of kilometers by plasma wires. Author shows that AB-Space Engine can produce thrust of 10 tons (and more). That can accelerate a space ship to some thousands of kilometers/second. AB-Space Engine has a staggering specific impulse owing to the very small mass expended. The AB-Space Engine reacts not b...

  15. Electricity from coal and utilization of coal combustion by-products

    SciTech Connect (OSTI)

    Demirbas, A.

    2008-07-01

    Most electricity in the world is conventionally generated using coal, oil, natural gas, nuclear energy, or hydropower. Due to environmental concerns, there is a growing interest in alternative energy sources for heat and electricity production. The major by-products obtained from coal combustion are fly ash, bottom ash, boiler slag, and flue gas desulfurization (FGD) materials. The solid wastes produced in coal-fired power plants create problems for both power-generating industries and environmentalists. The coal fly ash and bottom ash samples may be used as cementitious materials.

  16. AB Levitator and Electricity Storage

    E-Print Network [OSTI]

    Alexander Bolonkin

    2007-03-01

    The author researched this new idea - support of flight by any aerial vehicles at significant altitude solely by the magnetic field of the planet. It is shown that current technology allows humans to create a light propulsion (AB engine) which does not depend on air, water or ground terrain. Simultaniosly, this revolutionary thruster is a device for the storage of electricity which is extracted and is replenished (during braking) from/into the storage with 100 percent efficiency. The relative weight ratio of this engine is 0.01 - 0.1 (from thrust). For some types of AB engine (toroidal form) the thrust easily may be changed in any direction without turning of engine. The author computed many projects using different versions of offered AB engine: small device for levitation-flight of a human (including flight from Earth to Outer Space), fly VTOL car (track), big VTOL aircrat, suspended low altitude stationary satellite, powerful Space Shuttle-like booster for travel to the Moon and Mars without spending energy (spended energy is replenished in braking when ship returns from other planet to its point of origin), using AB-devices in military, in sea-going ships (submarimes), in energy industry (for example. as small storage of electric energy) and so on. The vehicles equipped with AB propulsion can take flight for days and cover distances of tens thousands of kilometers at hypersonic or extra-atmosphere space speeds. The work contains tens of inventions and innovations which solves problems and breaks limitations which appear in solution of these very complex revolutionary ideas. Key word: AB levitator, levitation, non-rocket outer space flight, electric energy storage, AB propulsion, AB engine, Bolonkin.

  17. BNL-65897-AB NEW DETECTABILITY IN ATMOSPHERIC PERFLUOROCARBON TRACING

    E-Print Network [OSTI]

    BNL-65897-AB NEW DETECTABILITY IN ATMOSPHERIC PERFLUOROCARBON TRACING Russell N. Dietz, Gunnar I-source releases initially impacted the coast over a 5- to 40-mile extent; the next day, in some cases.S. Department of Energy under Contract No. DE-AC02-98CH10886. #12;

  18. Land application uses for dry FGD by-products

    SciTech Connect (OSTI)

    Bigham, J.; Dick, W.; Forster, L.; Hitzhusen, F.; McCoy, E.; Stehouwer, R.; Traina, S.; Wolfe, W. ); Haefner, R. . Water Resources Div.)

    1993-04-01

    The 1990 amendments to the Clean Air Act have spurred the development of flue gas desulfurization (FGD) processes, several of which produce a dry, solid by-product material consisting of excess sorbent, reaction products containing sulfates and sulfites, and coal fly ash. Presently FGD by-product materials are treated as solid wastes and must be landfilled. However, landfill sites are becoming more scarce and tipping fees are constantly increasing. It is, therefore, highly desirable to find beneficial reuses for these materials provided the environmental impacts are minimal and socially acceptable. Phase 1 results of a 4 and 1/2 year study to demonstrate large volume beneficial uses of FGD by-products are reported. The purpose of the Phase 1 portion of the project was to characterize the chemical, physical, mineralogical and engineering properties of the FGD by-product materials obtained from various FGD technologies being developed in the state of Ohio. Phase 1 also involved the collection of baseline economic data related to the beneficial reuse of these FGD materials. A total of 58 samples were collected and analyzed. In summary Phase 1 results revealed that FGD by-product materials are essentially coal fly ash materials diluted with unreacted sorbent and reaction products. High volume beneficial reuses will depend on the economics of their substituting for existing materials for various types of applications (e.g. as an agricultural liming material, soil borrow for highway embankment construction, and reclamation of active and abandoned surface coal mines). Environmental constraints to the beneficial reuse of dry FGD byproduct materials, based on laboratory and leachate studies, seem to be less than for coal fly ash.

  19. Center for By-Products Utilization CO2 SEQUESTRATION

    E-Print Network [OSTI]

    Saldin, Dilano

    climate change, reduced GHGs, improved air quality, CO2 reduction & sequestration, and carbon offsets. #12 for the development of a technology for the carbon dioxide (CO2) sequestration in non-air entrained concreteCenter for By-Products Utilization CO2 SEQUESTRATION IN NON-AIR ENTRAINED CONCRETE By Tarun R. Naik

  20. Center for By-Products Utilization CARBONATION: AN EFFICIENT

    E-Print Network [OSTI]

    Saldin, Dilano

    -based materials. #12;Center for By-Products Utilization Carbon Dioxide Sequestration in Cement-based Materials Early age carbonation curing for the sequestration of CO2 in cement-based products is most adopted. Recently a practical and easy way of carbon dioxide sequestration in cement-based materials has been

  1. Grain Sorghum By-Product Feeds for Farm Animals. 

    E-Print Network [OSTI]

    1951-01-01

    . GRAIN SORGHUM BY-PRODUCT FEEDS FOR FARM ANIMALS 15 SORGHUJI GLUTEN FEED Sorghum gluten feed was used in three different combi- nations in experimental rations for fattening steers. In the first ration, it was fed as the only concentrate received... .................................................................................................. 18 Sorghum gluten meal .................................................................................. 18 experimental ration ............................................................................. 18...

  2. Environmentally Safe, Large Volume Utilization Applications for Gasification Byproducts

    SciTech Connect (OSTI)

    J.G. Groppo; R. Rathbone

    2008-06-30

    Samples of gasification by-products produced at Polk Station and Eastman Chemical were obtained and characterized. Bulk samples were prepared for utilization studies by screening at the appropriate size fractions where char and vitreous frit distinctly partitioned. Vitreous frit was concentrated in the +20 mesh fraction while char predominated in the -20+100 mesh fraction. The vitreous frit component derived from each gasifier slag source was evaluated for use as a pozzolan and as aggregate. Pozzolan testing required grinding the frit to very fine sizes which required a minimum of 60 kwhr/ton. Grinding studies showed that the energy requirement for grinding the Polk slag were slightly higher than for the Eastman slag. Fine-ground slag from both gasifiers showed pozzoalnic activity in mortar cube testing and met the ASTM C618 strength requirements after only 3 days. Pozzolanic activity was further examined using British Standard 196-5, and results suggest that the Polk slag was more reactive than the Eastman slag. Neither aggregate showed significant potential for undergoing alkali-silica reactions when used as concrete aggregate with ASTM test method 1260. Testing was conducted to evaluate the use of the frit product as a component of cement kiln feed. The clinker produced was comprised primarily of the desirable components Ca{sub 3}SiO{sub 5} and Ca{sub 2}SiO{sub 4} after raw ingredient proportions were adjusted to reduce the amount of free lime present in the clinker. A mobile processing plant was designed to produce 100 tons of carbon from the Eastman slag to conduct evaluations for use as recycle fuel. The processing plant was mounted on a trailer and hauled to the site for use. Two product stockpiles were generated; the frit stockpile contained 5% LOI while the carbon stockpile contained 62% LOI. The products were used to conduct recycle fuel tests. A processing plant was designed to separate the slag produced at Eastman into 3 usable products. The coarse frit has been shown to be suitable for use as clinker feed for producing Portland cement. The intermediate-size product is enriched in carbon (58-62% C) and may be used as recycle fuel either in the gasifier or in a PC boiler. The fines product contains 30-40% C and may also be used as a recycle gasifier fuel, as is presently done at TECO's Polk Station, however, due to gasifier operating requirements for the production of syngas, this is not feasible at Eastman.

  3. The utilization of flue gas desulfurization waste by-products in construction brick 

    E-Print Network [OSTI]

    Berryman, Charles Wayne

    1992-01-01

    Millions of tons of waste by-products from Texas coal burning plants are produced each year. Two common byproducts are the fuel ashes and calcium sulfate (gypsum). Fuel ashes result from the burning of coal. Gypsum is a byproduct of the air...

  4. A Low Voltage, Rail-to-Rail, Class AB CMOS Amplifier With High Drive and Low Output Impedance Characteristics

    E-Print Network [OSTI]

    Rincon-Mora, Gabriel A.

    1 A Low Voltage, Rail-to-Rail, Class AB CMOS Amplifier With High Drive and Low Output Impedance describes a CMOS rail-to-rail class AB operational amplifier designed to have extremely low output impedance. The source follower ensures low output impedance, which enables it to drive relatively large load capacitors

  5. Seabased AB | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental Jump to:EA EIS Report UrlNM-bRenewableSMUD WindISaveScripps FlumeSeaWestSeabased AB

  6. Solibro AB | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental Jump to:EA EIS ReportEurope GmbH JumpSloughInfraSolarSkiesSolarpraxisSolenergisAB

  7. Ab initiomultireference in-medium similarity renormalization...

    Office of Scientific and Technical Information (OSTI)

    Details In-Document Search This content will become publicly available on October 23, 2015 Title: Ab initiomultireference in-medium similarity renormalization group calculations...

  8. Ab-Initio Molecular Dynamics

    E-Print Network [OSTI]

    Thomas D. Kühne

    2013-03-26

    Computer simulation methods, such as Monte Carlo or Molecular Dynamics, are very powerful computational techniques that provide detailed and essentially exact information on classical many-body problems. With the advent of ab-initio molecular dynamics, where the forces are computed on-the-fly by accurate electronic structure calculations, the scope of either method has been greatly extended. This new approach, which unifies Newton's and Schr\\"odinger's equations, allows for complex simulations without relying on any adjustable parameter. This review is intended to outline the basic principles as well as a survey of the field. Beginning with the derivation of Born-Oppenheimer molecular dynamics, the Car-Parrinello method and the recently devised efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics, which unifies best of both schemes are discussed. The predictive power of this novel second-generation Car-Parrinello approach is demonstrated by a series of applications ranging from liquid metals, to semiconductors and water. This development allows for ab-initio molecular dynamics simulations on much larger length and time scales than previously thought feasible.

  9. The fate of mercury in coal utilization byproducts

    SciTech Connect (OSTI)

    William Aljoe; Thomas Feeley; James Murphy; Lynn Brickett [US Department of Energy's National Energy Technology Laboratory (DOE/NETL), Pittsburgh, PA (US)

    2005-05-01

    The US Department of Energy National Energy Technology Laboratory's (DOE/NETL's) research has helped to further scientific understanding of the environmental characteristics of coal-utilization by-products (CUBs) in both disposal and beneficial utilization applications. The following general observations can be drawn from results of the research that has been carried out to date: There appears to be only minimal mercury release to the environment in typical disposal or utilization applications for CUBs generated using activated carbon injection (ACI) control technologies; There appears to be only minimal mercury release to the environment in typical disposal and utilization applications for CUBs generated using wet FGD control technologies. The potential release of mercury from wet FGD gypsum during the manufacture of wallboard is still under evaluation; The amount of mercury leached from CUB samples tested by DOE/NETL is significantly lower than the federal drinking water standards and water quality criteria for the protection of aquatic life; in many cases, leachate concentrations were below the standard test method detection limits. DOE/NETL will continue to partner with industry and other key stakeholders in carrying out research to better understand the fate of mercury and other trace elements in the byproducts from coal combustion. 16 refs., 6 tabs.

  10. A companion to AB Pic at the planet/brown dwarf boundary

    E-Print Network [OSTI]

    G. Chauvin; A. -M. Lagrange; B. Zuckerman; C. Dumas; D. Mouillet; I. Song; J. -L. Beuzit; P. Lowrance; M. S. Bessell

    2005-04-29

    We report deep imaging observations of the young, nearby star AB Pic, a member of the large Tucana-Horologium as sociation. We have detected a faint, red source 5.5" South of the star with JHK colors compatible with that of a young substellar L dwarf. Follow-up observations at two additional epochs confirm, with a confidence level of 4.7sigma, that the faint red object is a companion to AB Pic rather than it being a stationary background object. A low resolution K-band spectrum indicates an early-L spectral type for the companion. Finally, evolutionary model predictions based on the JHK photometry of AB Pic b indicate a mass of 13 to 14 MJup if its age is ~30Myr. Is AB Pic b a massive planet or a minimum mass brown dwarf?

  11. Ab-Initio Molecular Dynamics

    E-Print Network [OSTI]

    Kühne, Thomas D

    2012-01-01

    Computer simulations and molecular dynamics in particular, is a very powerful method to provide detailed and essentially exact informations of classical many-body problems. With the advent of \\textit{ab-initio} molecular dynamics, where the forces are computed on-the-fly by accurate electronic structure calculations, the scope of either method has been greatly extended. This new approach, which unifies Newton's and Schr\\"odinger's equations, allows for complex simulations without relying on any adjustable parameter. This review is intended to outline the basic principles as well as a survey of the field. Beginning with the derivation of Born-Oppenheimer molecular dynamics, the Car-Parrinello method as well as novel hybrid scheme that unifies best of either approach are discussed. The predictive power is demonstrated by a series of applications ranging from insulators to semiconductors and even metals in condensed phases.

  12. Clean coal technology. Coal utilisation by-products

    SciTech Connect (OSTI)

    NONE

    2006-08-15

    The need to remove the bulk of ash contained in flue gas from coal-fired power plants coupled with increasingly strict environmental regulations in the USA result in increased generation of solid materials referred to as coal utilisation by-products, or CUBs. More than 40% of CUBs were sold or reused in the USA in 2004 compared to less than 25% in 1996. A goal of 50% utilization has been established for 2010. The American Coal Ash Association (ACCA) together with the US Department of Energy's Power Plant Improvement Initiative (PPPI) and Clean Coal Power Initiative (CCPI) sponsor a number of projects that promote CUB utilization. Several are mentioned in this report. Report sections are: Executive summary; Introduction; Where do CUBs come from?; Market analysis; DOE-sponsored CUB demonstrations; Examples of best-practice utilization of CUB materials; Factors limiting the use of CUBs; and Conclusions. 14 refs., 1 fig., 5 tabs., 14 photos.

  13. Oxidation and characterization of FGD byproduct calcium sulfite and oxidized product 

    E-Print Network [OSTI]

    Gupta, Anurag

    1993-01-01

    . . . . . Production of Calcium Sulfate Hemihydrate. . . , . Utilization of FGD Byproduct Gypsum. . . . . . . . . . . 5 6 8 9 11 12 12 18 19 20 22 EXPERIMENTAL TECHNIQUES. . . . . 23 Characterization of the FGD Byproduct. . . . . . 23 Thermal Analysis.... . . . . X-ray Diffraction Results. Infrared Spectroscopy Results. . . . . Thermal Analysis Results. . . . . . . . . . . Particles Morphology Characterization and Stability of the Sulfite Phase. . . . . . Oxidation of Calcium Sulfite Slurries...

  14. A HUMAN RELIABILITY-CENTERED APPROACH TO THE DEVELOPMENT OF JOB AIDS FOR REVIEWERS OF MEDICAL DEVICES THAT USE RADIOLOGICAL BYPRODUCT MATERIALS.

    SciTech Connect (OSTI)

    COOPER, S.E.; BROWN, W.S.; WREATHALL, J.

    2005-02-02

    The U.S. Nuclear Regulatory Commission (NRC) is engaged in an initiative to risk-inform the regulation of byproduct materials. Operating experience indicates that human actions play a dominant role in most of the activities involving byproduct materials, which are radioactive materials other than those used in nuclear power plants or in weapons production, primarily for medical or industrial purposes. The overall risk of these activities is strongly influenced by human performance. Hence, an improved understanding of human error, its causes and contexts, and human reliability analysis (HRA) is important in risk-informing the regulation of these activities. The development of the human performance job aids was undertaken by stages, with frequent interaction with the prospective users. First, potentially risk significant human actions were identified based on reviews of available risk studies for byproduct material applications and of descriptions of events for byproduct materials applications that involved potentially significant human actions. Applications from the medical and the industrial domains were sampled. Next, the specific needs of the expected users of the human performance-related capabilities were determined. To do this, NRC headquarters and region staff were interviewed to identify the types of activities (e.g., license reviews, inspections, event assessments) that need HRA support and the form in which such support might best be offered. Because the range of byproduct uses regulated by NRC is so broad, it was decided that initial development of knowledge and tools would be undertaken in the context of a specific use of byproduct material, which was selected in consultation with NRC staff. Based on needs of NRC staff and the human performance related characteristics of the context chosen, knowledge resources were then compiled to support consideration of human performance issues related to the regulation of byproduct materials. Finally, with information sources and an application context identified, a set of strawman job aids was developed, which was then presented to prospective users for critique and comment. Work is currently under way to develop training materials and refine the job aids in preparation for a pilot evaluation.

  15. Collective rotation from ab initio theory

    E-Print Network [OSTI]

    M. A. Caprio; P. Maris; J. P. Vary; R. Smith

    2015-09-01

    Through ab initio approaches in nuclear theory, we may now seek to quantitatively understand the wealth of nuclear collective phenomena starting from the underlying internucleon interactions. No-core configuration interaction (NCCI) calculations for p-shell nuclei give rise to rotational bands, as evidenced by rotational patterns for excitation energies, electromagnetic moments, and electromagnetic transitions. In this review, NCCI calculations of 7-9Be are used to illustrate and explore ab initio rotational structure, and the resulting predictions for rotational band properties are compared with experiment. We highlight the robustness of ab initio rotational predictions across different choices for the internucleon interaction.

  16. Multiscale ab initio approaches to materials physics

    E-Print Network [OSTI]

    Engeness, Torkel Dyrbaek, 1972-

    2003-01-01

    This work presents new ab initio approaches to materials physics. We first introduce the multiscale approach to determination of thermal properties and changes in free energy. With this approach one can perform thermal ...

  17. PAST RECIPIENTS OF THE HAA AWARD 1990 Harriet B. Belin, AB '43

    E-Print Network [OSTI]

    Wood, Robert

    . AB '35, MBA '39 Theodore B. Lee AB '54 Elliott H. Phillips AB '40, JD '43 William G. Young AB '62 Holly B. Nottebohm AB '62 Daniel A. Phillips AB '60, MBA '63 Elliott K. Shapira AB '35, PhD '41 1996 Catherine A. Connett MBA '79 Joy K. Fallon AB '78, JD '82 Joan Porter MacIver AB '75 Thomas H. Parry AB '74

  18. UTILIZATION OF LOW NOx COAL COMBUSTION BY-PRODUCTS

    SciTech Connect (OSTI)

    J.Y. Hwang; X. Huang; M.G. McKimpson; R.E. Tieder; A.M. Hein; J.M. Gillis; D.C. Popko; K.L. Paxton; Z. Li; X. Liu; X. Song; R.I. Kramer

    1998-12-01

    Low NO{sub x} combustion practices are critical for reducing NO{sub x} emissions from power plants. These low NO{sub x} combustion practices, however, generate high residual carbon contents in the fly ash produced. These high carbon contents threaten utilization of this combustion by-product. This research has successfully developed a separation technology to render fly ash into useful, quality-controlled materials. This technology offers great flexibility and has been shown to be applicable to all of the fly ashes tested (more than 10). The separated materials can be utilized in traditional fly ash applications, such as cement and concrete, as well as in nontraditional applications such as plastic fillers, metal matrix composites, refractories, and carbon adsorbents. Technologies to use beneficiated fly ash in these applications are being successfully developed. In the future, we will continue to refine the separation and utilization technologies to expand the utilization of fly ash. The disposal of more than 31 million tons of fly ash per year is an important environmental issue. With continued development, it will be possible to increase economic, energy and environmental benefits by re-directing more of this fly ash into useful materials.

  19. Sugar-Based Ethanol Biorefinery: Ethanol, Succinic Acid and By-Product Production

    SciTech Connect (OSTI)

    Donal F. Day

    2009-03-31

    The work conducted in this project is an extension of the developments itemized in DE-FG-36-04GO14236. This program is designed to help the development of a biorefinery based around a raw sugar mill, which in Louisiana is an underutilized asset. Some technical questions were answered regarding the addition of a biomass to ethanol facility to existing sugar mills. The focus of this work is on developing technology to produce ethanol and valuable by-products from bagasse. Three major areas are addressed, feedstock storage, potential by-products and the technology for producing ethanol from dilute ammonia pre-treated bagasse. Sugar mills normally store bagasse in a simple pile. During the off season there is a natural degradation of the bagasse, due to the composting action of microorganisms in the pile. This has serious implications if bagasse must be stored to operate a bagasse/biorefinery for a 300+ day operating cycle. Deterioration of the fermentables in bagasse was found to be 6.5% per month, on pile storage. This indicates that long term storage of adequate amounts of bagasse for year-round operation is probably not feasible. Lignin from pretreatment seemed to offer a potential source of valuable by-products. Although a wide range of phenolic compounds were present in the effluent from dilute ammonia pretreatment, the concentrations of each (except for benzoic acid) were too low to consider for extraction. The cellulosic hydrolysis system was modified to produce commercially recoverable quantities of cellobiose, which has a small but growing market in the food process industries. A spin-off of this led to the production of a specific oligosaccharide which appears to have both medical and commercial implications as a fungal growth inhibitor. An alternate use of sugars produced from biomass hydrolysis would be to produce succinic acid as a chemical feedstock for other conversions. An organism was developed which can do this bioconversion, but the economics of succinic acid production were such that it could not compete with current commercial practice. To allow recovery of commercial amounts of ethanol from bagasse fermentation, research was conducted on high solids loading fermentations (using S. cerevisiae) with commercial cellulase on pretreated material. A combination of SHF/SSF treatment with fed-batch operation allowed fermentation at 30% solids loading. Supplementation of the fermentation with a small amount of black-strap molasses had results beyond expectation. There was an enhancement of conversion as well as production of ethanol levels above 6.0% w/w, which is required both for efficient distillation as well as contaminant repression. The focus of fermentation development was only on converting the cellulose to ethanol, as this yeast is not capable of fermenting both glucose and xylose (from hemicellulose). In anticipation of the future development of such an organism, we screened the commercially available xylanases to find the optimum mix for conversion of both cellulose and hemicellulose. A different mixture than the spezyme/novozyme mix used in our fermentation research was found to be more efficient at converting both cellulose and hemicellulose. Efforts were made to select a mutant of Pichia stipitis for ability to co-ferment glucose and xylose to ethanol. New mutation technology was developed, but an appropriate mutant has not yet been isolated. The ability to convert to stillage from biomass fermentations were determined to be suitable for anaerobic degradation and methane production. An economic model of a current sugar factory was developed in order to provide a baseline for the cost/benefit analysis of adding cellulosic ethanol production.

  20. RESIDUES FROM COAL CONVERSION AND UTILIZATION: ADVANCED MINERALOGICAL CHARACTERIZATION AND DISPOSED BYPRODUCT DIAGENESIS

    SciTech Connect (OSTI)

    Gregory J. McCarthy; Dean G. Grier

    2001-01-01

    Prior to the initiation of this study, understanding of the long-term behavior of environmentally-exposed Coal Combustion By-Products (CCBs) was lacking in (among others) two primary areas addressed in this work. First, no method had been successfully applied to achieve full quantitative analysis of the partitioning of chemical constituents into reactive or passive crystalline or noncrystalline compounds. Rather, only semi-quantitative methods were available, with large associated errors. Second, our understanding of the long-term behavior of various CCBs in contact with the natural environment was based on a relatively limited set of study materials. This study addressed these areas with two objectives, producing (1) a set of protocols for fully quantitative phase analysis using the Rietveld Quantitative X-ray Diffraction (RQXRD) method and (2) greater understanding of the hydrologic and geochemical nature of the long-term behavior of disposed and utilized CCBs. The RQXRD technique was initially tested using (1) mixtures of National Institute of Standards and Technology (NIST) crystalline standards, and (2) mixtures of synthetic reagents simulating various CCBs, to determine accuracy and precision of the method, and to determine the most favorable protocols to follow in order to efficiently quantify multi-phase mixtures. Four sets of borehole samples of disposed or utilized CCBs were retrieved and analyzed by RQXRD according to the protocols developed under the first objective. The first set of samples, from a Class F ash settling pond in Kentucky disposed for up to 20 years, showed little mineralogical alteration, as expected. The second set of samples, from an embankment in Indiana containing a mixture of chain-grate (stoker) furnace ash and fluidized bed combustion (FBC) residues, showed formation of the mineral thaumasite, as observed in previously studied exposed FBC materials. Two high-calcium CCBs studied, including a dry-process flue gas desulfurization (FGD) by-product disposed in the Midwest, and a mixture of Class C fly ash and wet process FGD by-product codisposed in North Dakota, appeared relatively unchanged mineralogically over the up to 5 and 17 years of emplacement, respectively. Each of these two materials contained mineralogies consistent with short-term hydration products of their respective starting (dry) materials. The hydration product ettringite persisted throughout the duration of emplacement at each site, and the diagenetic ash alteration product thaumasite did not form at either site. Explanations for the absence of thaumasite in these two sites include a lack of significant carbonate, sulfate, and alkalinity sources in the case of the North Dakota site, and a lack of sulfate, alkalinity, and sufficient moisture in the Midwest site. Potential for future thaumasite formation in these materials may exist if placed in contact with cold, wet materials containing the missing components listed above. In the presence of the sulfite scrubber mineral hannebachite, the ettringites formed had crystallographic unit cell dimensions smaller than those of pure sulfate ettringite, suggesting either incorporation of sulfite ions into the ettringite structure, or incorporation of silicon and carbonate ions, forming a solid solution towards thaumasite.

  1. Pore structure of soot deposits from several combustion Karl J. Rockne a,b,*, Gary L. Taghon b

    E-Print Network [OSTI]

    Rockne, Karl J.

    hydrocarbons (PAHs) and carbon monoxide. In many areas, soots comprise a signi®cant fraction (up to 97Pore structure of soot deposits from several combustion sources Karl J. Rockne a,b,*, Gary L Received 13 October 1999; accepted 25 January 2000 Abstract Soot was harvested from ®ve combustion sources

  2. Applications developed for byproduct /sup 85/Kr and tritium

    SciTech Connect (OSTI)

    Remini, W.C.; Case, F.N.; Haff, K.W.; Tiegs, S.M.

    1983-01-01

    The radionuclides, krypton-85 and tritium, both of which are gases under ordinary conditions, are used in many applications in industries and by the military forces. Krypton-85 is produced during the fissioning of uranium and is released during the dissolution of spent-fuel elements. It is a chemically inert gas that emits 0.695-MeV beta rays and a small yield of 0.54-MeV gammas over a half life of 10.3 years. Much of the /sup 85/Kr currently produced is released to the atmosphere; however, large-scale reprocessing of fuel will require collection of the gas and storage as a waste product. An alternative to storage is utilization, and since the chemical and radiation characteristics of /sup 85/Kr make this radionuclide a relatively low hazard from the standpoint of contamination and biological significance, a number of uses have been developed. Tritium is produced as a byproduct of the nuclear-weapons program, and it has a half life of 12.33 years. It has a 0.01861-MeV beta emission and no gamma emission. The absence of a gamma-ray energy eliminates the need for external shielding of the devices utilizing tritium, thus making them easily transportable. Many of the applications require only small quantities of /sup 85/Kr or tritium; however, these uses are important to the technology base of the nation. A significant development that has the potential for beneficial utilization of large quantities of /sup 85/Kr and of tritium involves their use in the production of low-level lighting devices. Since these lights are free from external fuel supplies, have a long half life (> 10 years), are maintenance-free, reliable, and easily deployed, both military and civilian airfield-lighting applications are being studied.

  3. Land application uses for dry FGD by-products, Phase 1 report

    SciTech Connect (OSTI)

    Bigham, J.; Dick, W.; Forster, L.; Hitzhusen, F.; McCoy, E.; Stehouwer, R.; Traina, S.; Wolfe, W.

    1993-04-01

    The 1990 amendments to the Clean Air Act have spurred the development of flue gas desulfurization (FGD) processes, several of which produce a dry, solid by-product material consisting of excess sorbent, reaction products containing sulfates and sulfites, and coal fly ash. FGD by-product materials are treated as solid wastes and must be landfilled. It is highly desirable to find beneficial reuses for these materials provided the environmental impacts are minimal and socially acceptable. Phase 1 results of a 4 and 1/2 year study to demonstrate large volume beneficial uses of FGD by-products are reported. The purpose of the Phase 1 portion of the project was to characterize the chemical, physical, mineralogical and engineering properties of the FGD by-product materials obtained from various FGD technologies being developed in the state of Ohio. Phase 1 also involved the collection of baseline economic data related to the beneficial reuse of these FGD materials. A total of 58 samples were collected and analyzed. The results indicated the chemical composition of the FGD by-product materials were dominated by Ca, S, Al, and Si. Many of the elements regulated by the US Environmental Protection Agency reside primarily in the fly ash. Phase 1 results revealed that FGD by-product materials are essentially coal fly ash materials diluted with unreacted sorbent and reaction products. High volume beneficial reuses will depend on the economics of their substituting for existing materials for various types of applications (e.g. as an agricultural liming material, soil borrow for highway embankment construction, and reclamation of active and abandoned surface coal mines). Environmental constraints to the beneficial reuse of dry FGD by-product materials, based on laboratory and leachate studies, seem to be less than for coal fly ash.

  4. Engineering Science AB: Electrical Rev. Aug 2014 1/3

    E-Print Network [OSTI]

    Wolfe, Patrick J.

    Engineering Science ­ AB: Electrical Rev. Aug 2014 1/3 Plan of Study for the Electrical ­ System Programming & Machine Organization ___________ Sophomore Forum ___________ Electrical Engineering ___________ ___________ ___________ ___________ #12;Engineering Science ­ AB: Electrical Rev. Aug 2014 2/3 Hardware CIRCLE ONE ES 52

  5. Strontium Isotope Study of Coal Untilization By-products Interacting with Environmental Waters

    SciTech Connect (OSTI)

    Spivak-Birndorf, Lev J; Stewart, Brian W; Capo, Rosemary C; Chapman, Elizabeth C; Schroeder, Karl T; Brubaker, Tonya M

    2011-09-01

    Sequential leaching experiments on coal utilization by-products (CUB) were coupled with chemical and strontium (Sr) isotopic analyses to better understand the influence of coal type and combustion processes on CUB properties and the release of elements during interaction with environmental waters during disposal. Class C fly ash tended to release the highest quantity of minor and trace elements—including alkaline earth elements, sodium, chromium, copper, manganese, lead, titanium, and zinc—during sequential extraction, with bottom ash yielding the lowest. Strontium isotope ratios ({sup 87}Sr/{sup 86}Sr) in bulk-CUB samples (total dissolution of CUB) are generally higher in class F ash than in class C ash. Bulk-CUB ratios appear to be controlled by the geologic source of the mineral matter in the feed coal, and by Sr added during desulfurization treatments. Leachates of the CUB generally have Sr isotope ratios that are different than the bulk value, demonstrating that Sr was not isotopically homogenized during combustion. Variations in the Sr isotopic composition of CUB leachates were correlated with mobility of several major and trace elements; the data suggest that arsenic and lead are held in phases that contain the more radiogenic (high-{sup 87}Sr/{sup 86}Sr) component. A changing Sr isotope ratio of CUB-interacting waters in a disposal environment could forecast the release of certain strongly bound elements of environmental concern. This study lays the groundwork for the application of Sr isotopes as an environmental tracer for CUB–water interaction.

  6. AB3 Proton NMR Using Tensor Algebra Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    AB3 Proton NMR Using Tensor Algebra Frank Rioux Professor Emeritus of Chemistry CSB|SJU The purpose of this tutorial is to calculate the NMR spectrum of a four proton AB3 system in Hz) are for the AB3 proton system 1,1dichloroethane at 60 MHz. A 350.0 B 120.0 Jab 10.00 Hamiltonian

  7. Technical support for the Ohio Coal Technology Program. Volume 1, Baseline of knowledge concerning by-product characteristics: Final report

    SciTech Connect (OSTI)

    Olfenbuttel, R.; Clark, S.; Helper, E.; Hinchee, R.; Kuntz, C.; Means, J.; Oxley, J.; Paisley, M.; Rogers, C.; Sheppard, W.; Smolak, L.

    1989-08-28

    This report was prepared for the Ohio Coal Development Office (OCDO) under Grant Agreement No. CDO/R-88-LRl and comprises two volumes. Volume I presents data on the chemical, physical, and leaching characteristics of by-products from a wide variety of clean coal combustion processes. Volume II consists of a discussion of (a) process modification waste minimization opportunities and stabilization considerations; (b) research and development needs and issues relating to clean coal combustion technologies and by-products; (c) the market potential for reusing or recycling by-product materials; and (d) regulatory considerations relating to by-product disposal or reuse.

  8. Master's Thesis proposal TTS Marine AB 2015-10-12 Page 1 of 1 TTS Marine AB

    E-Print Network [OSTI]

    Ahrendt, Wolfgang

    Master's Thesis proposal TTS Marine AB ­ 2015-10-12 Page 1 of 1 TTS Marine AB Tel: +46 31 725 79 00 Fax: +46 31 725 78 00 info@tts-marine.se www.ttsgroup.com Master's Thesis proposal To: Applied, 2015 From: Structural Engineering department- TTS Marine AB Pages: 1 Subject: Thesis work at TTS Marine

  9. Formation of carbon black as a byproduct of pyrolysis of light hydrocarbons in plasma jet

    SciTech Connect (OSTI)

    Chen, H.G.; Zhang, X.B.; Li, F.; Xie, K.C.; Dai, B.; Fan, Y.S.

    1997-12-31

    The light hydrocarbons undergo a complex reaction of flash hydropyrolysis in a DC arc H{sub 2}/Ar plasma jet at atmospheric pressure and average temperatures between 1,500 K and 4,000 K. The raw material was LPG. Acetylene is the major product. Carbon black is a byproduct. Carbon black is characterized with XRD, TEM, and adsorption-and-desorption of liquid nitrogen, respectively. The present work proposes to use the plasma process to replace the classical thermal process in order to produce acetylene directly from LPG with carbon black being a byproduct.

  10. Parking Lot Sealcoat: An Unrecognized Source of Urban

    E-Print Network [OSTI]

    structures stemming from their origins: coal tar is a byproduct of the production of coke from coal, whereas,maydominateloadingofPAHstourbanwaterbodies in the United States. Particles in runoff from parking lots with coal-tar emulsion sealcoat had mean and cement lots. Diagnostic ratios of individual PAHs indicating sources are similar for particles from coal

  11. Optimization of Jatropha Oil Extraction and Its By-Product Utilization by Pyrolysis Method 

    E-Print Network [OSTI]

    Kongkasawan, Jinjuta 1987-

    2012-08-20

    crisis. The purpose of this research is to investigate the optimum condition of Jatropha seed extraction via a screw press and its by-product utilization by a pyrolysis method for achieving the maximum mass conversion and energy recovery. In this study...

  12. WPD Scandinavia AB | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LIST OFAMERICA'SHeavyAgencyTendo New EnergyWindState Grid JV JumpWKScandinavia AB Jump

  13. PV Enterprise Sweden AB | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX ECoop Inc Jump to:Newberg,Energy LLC Jump to:3 of Mason County Jump to:EiwaSweden AB

  14. Microsoft Word - Obertellii09_Abs.doc

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJessework uses concrete7 Assessment ofLana Cox (803) 725-4396AbNew developments

  15. EVIDENCE FOR RADIOGENIC SULFUR-32 IN TYPE AB PRESOLAR SILICON CARBIDE GRAINS?

    SciTech Connect (OSTI)

    Fujiya, Wataru; Hoppe, Peter [Max Planck Institute for Chemistry, Hahn-Meitner-Weg 1, D-55128 Mainz (Germany)] [Max Planck Institute for Chemistry, Hahn-Meitner-Weg 1, D-55128 Mainz (Germany); Zinner, Ernst [Laboratory for Space Sciences and Physics Department, Campus Box 1105, Washington University, St. Louis, MO 63130 (United States)] [Laboratory for Space Sciences and Physics Department, Campus Box 1105, Washington University, St. Louis, MO 63130 (United States); Pignatari, Marco [Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland)] [Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland); Herwig, Falk, E-mail: wataru.fujiya@mpic.de, E-mail: peter.hoppe@mpic.de, E-mail: ekz@wustl.edu, E-mail: mpignatari@gmail.com, E-mail: fherwig@uvic.ca [Department of Physics and Astronomy, University of Victoria, Canada, P.O. Box 3055, Victoria, BC V8W 3P6 (Canada)] [Department of Physics and Astronomy, University of Victoria, Canada, P.O. Box 3055, Victoria, BC V8W 3P6 (Canada)

    2013-10-20

    We report C, Si, and S isotope measurements on 34 presolar silicon carbide grains of Type AB, characterized by {sup 12}C/{sup 13}C < 10. Nitrogen, Mg-Al-, and Ca-Ti-isotopic compositions were measured on a subset of these grains. Three grains show large {sup 32}S excesses, a signature that has been previously observed for grains from supernovae (SNe). Enrichments in {sup 32}S may be due to contributions from the Si/S zone and the result of S molecule chemistry in still unmixed SN ejecta or due to incorporation of radioactive {sup 32}Si from C-rich explosive He shell ejecta. However, a SN origin remains unlikely for the three AB grains considered here, because of missing evidence for {sup 44}Ti, relatively low {sup 26}Al/{sup 27}Al ratios (a few times 10{sup –3}), and radiogenic {sup 32}S along with low {sup 12}C/{sup 13}C ratios. Instead, we show that born-again asymptotic giant branch (AGB) stars that have undergone a very-late thermal pulse (VLTP), known to have low {sup 12}C/{sup 13}C ratios and enhanced abundances of the light s-process elements, can produce {sup 32}Si, which makes such stars attractive sources for AB grains with {sup 32}S excesses. This lends support to the proposal that at least some AB grains originate from born-again AGB stars, although uncertainties in the born-again AGB star models and possible variations of initial S-isotopic compositions in the parent stars of AB grains make it difficult to draw a definitive conclusion.

  16. Ab Initio Coupled-Cluster Effective Interactions for the Shell...

    Office of Scientific and Technical Information (OSTI)

    Initio Coupled-Cluster Effective Interactions for the Shell Model: Application to Neutron-Rich Oxygen and Carbon Isotopes Citation Details In-Document Search Title: Ab Initio...

  17. BioInvent International AB - Product Pipeline Review - 2014 According...

    Open Energy Info (EERE)

    BioInvent International AB - Product Pipeline Review - 2014 According To Radiant Insights Home > Groups > Future of Condition Monitoring for Wind Turbines Marketresearchri's...

  18. Ab initio non-relativistic spin dynamics

    SciTech Connect (OSTI)

    Ding, Feizhi; Goings, Joshua J.; Li, Xiaosong; Frisch, Michael J.

    2014-12-07

    Many magnetic materials do not conform to the (anti-)ferromagnetic paradigm where all electronic spins are aligned to a global magnetization axis. Unfortunately, most electronic structure methods cannot describe such materials with noncollinear electron spin on account of formally requiring spin alignment. To overcome this limitation, it is necessary to generalize electronic structure methods and allow each electron spin to rotate freely. Here, we report the development of an ab initio time-dependent non-relativistic two-component spinor (TDN2C), which is a generalization of the time-dependent Hartree-Fock equations. Propagating the TDN2C equations in the time domain allows for the first-principles description of spin dynamics. A numerical tool based on the Hirshfeld partitioning scheme is developed to analyze the time-dependent spin magnetization. In this work, we also introduce the coupling between electron spin and a homogenous magnetic field into the TDN2C framework to simulate the response of the electronic spin degrees of freedom to an external magnetic field. This is illustrated for several model systems, including the spin-frustrated Li{sub 3} molecule. Exact agreement is found between numerical and analytic results for Larmor precession of hydrogen and lithium atoms. The TDN2C method paves the way for the ab initio description of molecular spin transport and spintronics in the time domain.

  19. Micro -Thermonuclear AB-Reactors for Aerospace

    E-Print Network [OSTI]

    Alexander Bolonkin

    2007-01-08

    The author offers several innovations that he first suggested publicly early in 1983 for the AB multi-reflex engine, space propulsion, getting energy from plasma, etc. (see: A. Bolonkin, Non-Rocket Space Launch and Flight, Elsevier, London, 2006, Chapters 12, 3A). It is the micro-thermonuclear AB-Reactors. That is new micro-thermonuclear reactor with very small fuel pellet that uses plasma confinement generated by multi-reflection of laser beam or its own magnetic field. The Lawson criterion increases by hundreds of times. The author also suggests a new method of heating the power-making fuel pellet by outer electric current as well as new direct method of transformation of ion kinetic energy into harvestable electricity. These offered innovations dramatically decrease the size, weight and cost of thermonuclear reactor, installation, propulsion system and electric generator. Non-industrial countries can produce these researches and constructions. Currently, the author is researching the efficiency of these innovations for two types of the micro-thermonuclear reactors: multi-reflection reactor (ICF) and self-magnetic reactor (MCF).

  20. Ab Initio Whole Genome Shotgun Assembly With Mated Short Reads

    E-Print Network [OSTI]

    Toronto, University of

    Ab Initio Whole Genome Shotgun Assembly With Mated Short Reads Paul Medvedev1 and Michael Brudno1 these technologies are already being used for rese- quencing individuals once a reference genome exists, it has not been shown if it is possible to use them for ab initio genome assembly. In this paper, we give a novel

  1. Ab initio alpha-alpha scattering

    E-Print Network [OSTI]

    Serdar Elhatisari; Dean Lee; Gautam Rupak; Evgeny Epelbaum; Hermann Krebs; Timo A. Lähde; Thomas Luu; Ulf-G. Meißner

    2015-06-11

    Processes involving alpha particles and alpha-like nuclei comprise a major part of stellar nucleosynthesis and hypothesized mechanisms for thermonuclear supernovae. In an effort towards understanding alpha processes from first principles, we describe in this letter the first ab initio calculation of alpha-alpha scattering. We use lattice effective field theory to describe the low-energy interactions of nucleons and apply a technique called the adiabatic projection method to reduce the eight-body system to an effective two-cluster system. We find good agreement between lattice results and experimental phase shifts for S-wave and D-wave scattering. The computational scaling with particle number suggests that alpha processes involving heavier nuclei are also within reach in the near future.

  2. Ab initio alpha-alpha scattering

    E-Print Network [OSTI]

    Elhatisari, Serdar; Rupak, Gautam; Epelbaum, Evgeny; Krebs, Hermann; Lähde, Timo A; Luu, Thomas; Meißner, Ulf-G

    2015-01-01

    Processes involving alpha particles and alpha-like nuclei comprise a major part of stellar nucleosynthesis and hypothesized mechanisms for thermonuclear supernovae. In an effort towards understanding alpha processes from first principles, we describe in this letter the first ab initio calculation of alpha-alpha scattering. We use lattice effective field theory to describe the low-energy interactions of nucleons and apply a technique called the adiabatic projection method to reduce the eight-body system to an effective two-cluster system. We find good agreement between lattice results and experimental phase shifts for S-wave and D-wave scattering. The computational scaling with particle number suggests that alpha processes involving heavier nuclei are also within reach in the near future.

  3. Asymptotic normalization coefficients from ab initio calculations

    E-Print Network [OSTI]

    Kenneth M. Nollett; R. B. Wiringa

    2011-04-14

    We present calculations of asymptotic normalization coefficients (ANCs) for one-nucleon removals from nuclear states of mass numbers 3 to 9. Our ANCs were computed from variational Monte Carlo solutions to the many-body Schroedinger equation with the combined Argonne v18 two-nucleon and Urbana IX three-nucleon potentials. Instead of computing explicit overlap integrals, we applied a Green's function method that is insensitive to the difficulties of constructing and Monte Carlo sampling the long-range tails of the variational wave functions. This method also allows computation of the ANC at the physical separation energy, even when it differs from the separation energy for the Hamiltonian. We compare our results, which for most nuclei are the first ab initio calculations of ANCs, with existing experimental and theoretical results and discuss further possible applications of the technique.

  4. Solar Grade Silicon from Agricultural By-products

    SciTech Connect (OSTI)

    Richard M. Laine

    2012-08-20

    In this project, Mayaterials developed a low cost, low energy and low temperature method of purifying rice hull ash to high purity (5-6Ns) and converting it by carbothermal reduction to solar grade quality silicon (Sipv) using a self-designed and built electric arc furnace (EAF). Outside evaluation of our process by an independent engineering firm confirms that our technology greatly lowers estimated operating expenses (OPEX) to $5/kg and capital expenses (CAPEX) to $24/kg for Sipv production, which is well below best-in-class plants using a Siemens process approach (OPEX of 14/kg and CAPEX of $87/kg, respectively). The primary limiting factor in the widespread use of photovoltaic (PV) cells is the high cost of manufacturing, compared to more traditional sources to reach 6 g Sipv/watt (with averages closer to 8+g/watt). In 2008, the spot price of Sipv rose to $450/kg. While prices have since dropped to a more reasonable $25/kg; this low price level is not sustainable, meaning the longer-term price will likely return to $35/kg. The 6-8 g Si/watt implies that the Sipv used in a module will cost $0.21-0.28/watt for the best producers (45% of the cost of a traditional solar panel), a major improvement from the cost/wafer driven by the $50/kg Si costs of early 2011, but still a major hindrance in fulfilling DOE goal of lowering the cost of solar energy below $1/watt. The solar cell industry has grown by 40% yearly for the past eight years, increasing the demand for Sipv. As such, future solar silicon price spikes are expected in the next few years. Although industry has invested billions of dollars to meet this ever-increasing demand, the technology to produce Sipv remains largely unchanged requiring the energy intensive, and chlorine dependent Siemens process or variations thereof. While huge improvements have been made, current state-of-the-art industrial plant still use 65 kWh/kg of silicon purified. Our technology offers a key distinction to other technologies as it starts one step upstream from all other Sipv production efforts. Our process starts by producing high purity SiO2/C feedstocks from which Sipv can be produced in a single, chlorine free, final EAF step. Specifically, our unique technology, and the resultant SiO2/C product can serve as high purity feedstocks to existing metallurgical silicon (Simet) producers, allowing them to generate Sipv with existing US manufacturing infrastructure, reducing the overall capital and commissioning schedule. Our low energy, low CAPEX and OPEX process purifies the silica and carbon present in rice hull ash (RHA) at low temperatures (< 200C) to produce high purity (5-6 Ns) feedstock for production of Sipv using furnaces similar to those used to produce Simet. During the course of this project we partnered with Wadham Energy LP (Wadham), who burns 220k ton of rice hulls (RH)/yr generating 200 GWh of electricity/yr and >30k ton/yr RHA. The power generation step produces much more energy (42 kWh/kg of final silicon produced) than required to purify the RHA (5 kWh/kg of Sipv, compared to 65 kWh/kg noted above. Biogenic silica offers three very important foundations for producing high purity silicon. First, wastes from silica accumulating plants, such as rice, corn, many grasses, algae and grains, contain very reactive, amorphous silica from which impurities are easily removed. Second, plants take up only a limited set of, and minimal quantities of the heavy metals present in nature, meaning fewer minerals must be removed. Third, biomass combustion generates a product with intrinsic residual carbon, mixed at nanometer length scales with the SiO2. RHA is 80-90 wt% high surface area (20 m2/g), amorphous SiO2 with some simple mineral content mixed intimately with 5-15 wt% carbon. The mineral content is easily removed by low cost, acid washes using Mayaterials IP, leading to purified rice hull ash (RHAclean) at up to 6N purity. This highly reactive silica is partially extracted from RHAclean at 200 C in an environmentally benign process to adjust SiO2:C ratios to those needed in EA

  5. Utilizing the heat content of gas-to-liquids by-product streams for commercial power generation 

    E-Print Network [OSTI]

    Adegoke, Adesola Ayodeji

    2006-10-30

    provides middle distillates to an unsaturated global market and offers opportunities to generate power for commercial purposes from waste by-product streams, which normally are associated with increased expenses incurred from additional...

  6. Stability of the binary colloidal crystals AB2 and AB13 A. B. Schofield, P. N. Pusey, and P. Radcliffe

    E-Print Network [OSTI]

    Schofield, Andrew B.

    Stability of the binary colloidal crystals AB2 and AB13 A. B. Schofield, P. N. Pusey, and P Suspensions of binary mixtures of hard-sphere poly-methylmethacrylate colloidal particles were studied at six was discovered in computer simulations 4,5 and confirmed by experiments on colloidal suspensions 6

  7. AN IONIZED OUTFLOW FROM AB AUR, A HERBIG AE STAR WITH A TRANSITIONAL DISK

    SciTech Connect (OSTI)

    Rodríguez, Luis F.; Zapata, Luis A.; Ortiz-León, Gisela N.; Loinard, Laurent [Centro de Radioastronomía y Astrofísica, UNAM, Apdo. Postal 3-72 (Xangari), 58089 Morelia, Michoacán (Mexico); Dzib, Sergio A. [Max Planck Institut für Radioastronomie, Auf dem Hügel 69, D-53121 Bonn (Germany); Macías, Enrique; Anglada, Guillem, E-mail: l.rodriguez@crya.unam.mx [Instituto de Astrofísica de Andalucía (CSIC), Apartado 3004, E-18080 Granada (Spain)

    2014-09-20

    AB Aur is a Herbig Ae star with a transitional disk. Transitional disks present substantial dust clearing in their inner regions, most probably because of the formation of one or more planets, although other explanations are still viable. In transitional objects, accretion is found to be about an order of magnitude smaller than in classical full disks. Since accretion is believed to be correlated with outflow activity, centimeter free-free jets are expected to be present in association with these systems, at weaker levels than in classical protoplanetary (full) systems. We present new observations of the centimeter radio emission associated with the inner regions of AB Aur and conclude that the morphology, orientation, spectral index, and lack of temporal variability of the centimeter source imply the presence of a collimated, ionized outflow. The radio luminosity of this radio jet is, however, about 20 times smaller than that expected for a classical system of similar bolometric luminosity. We conclude that centimeter continuum emission is present in association with stars with transitional disks, but at levels than are becoming detectable only with the upgraded radio arrays. On the other hand, assuming that the jet velocity is 300 km s{sup –1}, we find that the ratio of mass loss rate to accretion rate in AB Aur is ?0.1, similar to that found for less evolved systems.

  8. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock; David A. Walthall

    2006-05-07

    One of the greatest societal challenges over the next decade is the production of cheap, renewable energy for the 10 billion people that inhabit the earth. This will require the development of various different energy sources potentially including fuels derived from methane, coal, and biomass and alternatives sources such as solar, wind and nuclear energy. One approach will be to synthesize gasoline and other fuels from simpler hydrocarbons such as CO derived from methane or other U.S. based sources such as coal. Syngas (CO and H{sub 2}) can be readily converted into higher molecular weight hydrocarbons through Fischer-Tropsch synthesis. Fischer-Tropsch synthesis involves the initiation or activation of CO and H{sub 2} bonds, the subsequent propagation steps including hydrogenation and carbon-carbon coupling, followed by chain termination reactions. Commercially viable catalysts include supported Co and Co-alloys. Over the first two years of this project we have used ab initio methods to determine the adsorption energies for all reactants, intermediates, and products along with the overall reaction energies and their corresponding activation barriers over the Co(0001) surface. Over the third year of the project we developed and advanced an ab initio-based kinetic Monte Carlo simulation code to simulate Fischer Tropsch synthesis. This report details our work over the last year which has focused on the derivation of kinetic parameters for the elementary steps involved in FT synthesis from ab initio density functional theoretical calculations and the application of the kinetic Monte Carlo algorithm to simulate the initial rates of reaction for FT over the ideal Co(0001) surface. The results from our simulations over Co(0001) indicate the importance of stepped surfaces for the activation of adsorbed CO. In addition, they demonstrate that the dominant CH{sub x}* surface intermediate under steady state conditions is CH*. This strongly suggests that hydrocarbon coupling occurs through reaction with the adsorbed CH*.

  9. Ab Initio Derivation of Model Energy Density Functionals

    E-Print Network [OSTI]

    Dobaczewski, J

    2015-01-01

    I propose a simple and manageable method that allows for deriving coupling constants of model energy density functionals (EDFs) directly from ab initio calculations performed for finite fermion systems. A proof-of-principle application allows for linking properties of finite nuclei, determined by using the nuclear nonlocal Gogny functional, to the coupling constants of the quasilocal Skyrme functional. The method does not rely on properties of infinite fermion systems but on the ab initio calculations in finite systems. It also allows for quantifying merits of different model EDFs in describing the ab initio results.

  10. Ab Initio Derivation of Model Energy Density Functionals

    E-Print Network [OSTI]

    J. Dobaczewski

    2015-07-07

    I propose a simple and manageable method that allows for deriving coupling constants of model energy density functionals (EDFs) directly from ab initio calculations performed for finite fermion systems. A proof-of-principle application allows for linking properties of finite nuclei, determined by using the nuclear nonlocal Gogny functional, to the coupling constants of the quasilocal Skyrme functional. The method does not rely on properties of infinite fermion systems but on the ab initio calculations in finite systems. It also allows for quantifying merits of different model EDFs in describing the ab initio results.

  11. New AB-Thermonuclear Reactor for Aerospace

    E-Print Network [OSTI]

    Alexander Bolonkin

    2007-06-14

    There are two main methods of nulcear fusion: inertial confinement fusion (ICF) and magnetic confinement fusion (MCF). Existing thermonuclear reactors are very complex, expensive, large, and heavy. They cannot achieve the Lawson creterion. The author offers an innovation. ICF has on the inside surface of the shell-shaped combustion chamber a covering of small Prism Reflectors (PR) and plasma reflector. These prism reflectors have a noteworthy advantage, in comparison with conventional mirror and especially with conventional shell: they multi-reflect the heat and laser radiation exactly back into collision with the fuel target capsule (pellet). The plasma reflector reflects the Bremsstrahlung radiation. The offered innovation decreases radiation losses, creates significant radiation pressure and increases the reaction time. The Lawson criterion increases by hundreds of times. The size, cost, and weight of a typical installation will decrease by tens of times. The author is researching the efficiency of these innovations. Keywords: Thermonuclear reactor, Multi-reflex AB-thermonuclear reactor, aerospace thermonuclear engine. This work is presented as paper AIAA-2006-7225 to Space-2006 Conference, 19-21 September, 2006, San Jose, CA, USA.

  12. AB Proton NMR Using Tensor Algebra Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    AB Proton NMR Using Tensor Algebra Frank Rioux Professor Emeritus of Chemistry CSB|SJU The purpose of this tutorial is to deviate from the usual matrix mechanics approach to the ABC proton nmr system in order

  13. Coke oven gas treatment and by-product plant of Magnitogorsk Integrated Iron and Steel Works

    SciTech Connect (OSTI)

    Egorov, V.N.; Anikin, G.J. [Magnitogorsk Integrated Iron and Steel Works, (Russian Federation); Gross, M. [Krupp Koppers GmbH, Essen (Germany)

    1995-12-01

    Magnitogorsk Integrated Iron and Steel Works, Russia, decided to erect a new coke oven gas treatment and by-product plant to replace the existing obsolete units and to improve the environmental conditions of the area. The paper deals with the technological concept and the design requirements. Commissioning is scheduled at the beginning of 1996. The paper describes H{sub 2}S and NH{sub 3} removal, sulfur recovery and ammonia destruction, primary gas cooling and electrostatic tar precipitation, and the distributed control system that will be installed.

  14. TREATMENT OF METAL-LADEN HAZARDOUS WASTES WITH ADVANCED CLEAN COAL TECHNOLOGY BY-PRODUCTS

    SciTech Connect (OSTI)

    James T. Cobb, Jr.; Ronald D. Neufeld; Jana Agostini

    1999-05-10

    This fourteenth quarterly report describes work done during the fourteenth three-month period of the University of Pittsburgh's project on the ''Treatment of Metal-Laden Hazardous Wastes with Advanced Clean Coal Technology By-Products.'' This report describes the activities of the project team during the reporting period. The principal work has focused upon new laboratory evaluation of samples from Phase 1, discussions with MAX Environmental Technologies, Inc., on the field work of Phase 2, preparing presentations, and making and responding to two outside contacts.

  15. Treatment of metal-laden hazardous wastes with advanced Clean Coal Technology by-products

    SciTech Connect (OSTI)

    James T. Cobb, Jr.; Ronald D. Neufeld; Jana Agostini; Wiles Elder

    1999-04-05

    This eleventh quarterly report describes work done during the eleventh three-month period of the University of Pittsburgh's project on the ``Treatment of Metal-Laden Hazardous Wastes with Advanced Clean Coal Technology By-Products.'' This report describes the activities of the project team during the reporting period. The principal work has focused upon new laboratory evaluation of samples from Phase 1, discussions with MAX Environmental Technologies, Inc., on the field work of Phase 2, preparing and giving presentations, and making and responding to two outside contacts.

  16. Fluosorbent injection by-products. Final report, January 1997 through December 1999

    SciTech Connect (OSTI)

    Nelson, Sid

    2000-02-29

    Few, if any, economical alternatives exist for small coal-fired boilers that require a flue-gas desulfurization (FGD) system which does not generate wastes. A new duct-injection technology, called "Fluesorbent," was developed to help fill this gap. Fluesorbent was intentionally designed so that the saturated S02-sorbent materials can be used as beneficial soil amendments after they were used for FGD. A. Project Objective: The objective of this project was to demonstrate in the field that saturated Fluesorbent materials can be utilized beneficially on agricultural and grass lands. B. Project Results: The results of this project suggest that, indeed, saturated Fluesorbent has excellent potential as a commercial soil amendment for crops, such as alfalfa and soybeans, and for turf. Yields of alfalfa and turf were substantially increased in field testing on acidic soils by one-time applications of Fluesorbent FGD by-products. In the first two years of field testing, alfalfa yields on field plots with the FGD by-products were approximately 40% greater than on plots treated with an equivalent amount of agricultural lime. In a third, drought-influenced year, the gains were smaller. Turf grass growth was fully twice that of untreated plots and more than 10% greater than with ag-lime. A small farm trial with a modified version of the Fluesorbent by-product increased soybean yield by 25%. A small trial with corn, however, indicated no significant improvement. Even though the Fluesorbent contained fly ash, the alfalfa and turf grown in FGD-treated plots contained significantly lower levels of heavy metals than that grown in untreated or lime-treated plots. In a project greenhouse experiment, the fly ashes from five different coal boilers from around Ohio produced equivalent yields when mixed with Fluesorbent, indicating wide potential applicability of the new technology. The Fluesorbent materials were also found to be easy to extrude into pellets for use with mixed fertilizers. The by-product FGD materials also showed good potential as a granular substrate for turning volatile liquid herbicides into a dry, spreadable form. It was also shown that a significant amount of other fertilizer compounds, such as elemental sulfur, could be successfully incorporated into the pelleted products, if desired.

  17. TREATMENT OF METAL-LADEN HAZARDOUS WASTES WITH ADVANCED CLEAN COAL TECHNOLOGY BY-PRODUCTS

    SciTech Connect (OSTI)

    James T. Cobb, Jr.; Ronald D. Neufeld; Jana Agostini

    1999-06-01

    This sixteenth quarterly report describes work done during the sixteenth three-month period of the University of Pittsburgh's project on the ''Treatment of Metal-Laden Hazardous Wastes with Advanced Clean Coal Technology By-Products.'' This report describes the activities of the project team during the reporting period. The principal work has focused upon new laboratory evaluation of samples from Phase 1, discussions with MAX Environmental Technologies, Inc., on the field work of Phase 2, giving a presentation, and making and responding to several outside contacts.

  18. Gas treatment and by-products recovery of Thailand`s first coke plant

    SciTech Connect (OSTI)

    Diemer, P.E.; Seyfferth, W. [Krupp Uhde GmbH, Dortmund (Germany)

    1997-12-31

    Coke is needed in the blast furnace as the main fuel and chemical reactant and the main product of a coke plant. The second main product of the coke plant is coke oven gas. During treatment of the coke oven gas some coal chemicals like tar, ammonia, sulphur and benzole can be recovered as by-products. Since the market prices for these by-products are rather low and often erratic it does not in most cases justify the investment to recover these products. This is the reason why modern gas treatment plants only remove those impurities from the crude gas which must be removed for technical and environmental reasons. The cleaned gas, however, is a very valuable product as it replaces natural gas in steel work furnaces and can be used by other consumers. The surplus can be combusted in the boiler of a power plant. A good example for an optimal plant layout is the new coke oven facility of Thai Special Steel Industry (TSSI) in Rayong. The paper describes the TSSI`s coke oven gas treatment plant.

  19. Land application uses for dry FGD by-products. Phase 1, [Annual report], December 1, 1991--November 30, 1992

    SciTech Connect (OSTI)

    Bigham, J.; Dick, W.; Forster, L.; Hitzhusen, F.; McCoy, E.; Stehouwer, R.; Traina, S.; Wolfe, W.; Haefner, R.

    1993-04-01

    The 1990 amendments to the Clean Air Act have spurred the development of flue gas desulfurization (FGD) processes, several of which produce a dry, solid by-product material consisting of excess sorbent, reaction products containing sulfates and sulfites, and coal fly ash. Presently FGD by-product materials are treated as solid wastes and must be landfilled. However, landfill sites are becoming more scarce and tipping fees are constantly increasing. It is, therefore, highly desirable to find beneficial reuses for these materials provided the environmental impacts are minimal and socially acceptable. Phase 1 results of a 4 and 1/2 year study to demonstrate large volume beneficial uses of FGD by-products are reported. The purpose of the Phase 1 portion of the project was to characterize the chemical, physical, mineralogical and engineering properties of the FGD by-product materials obtained from various FGD technologies being developed in the state of Ohio. Phase 1 also involved the collection of baseline economic data related to the beneficial reuse of these FGD materials. A total of 58 samples were collected and analyzed. In summary Phase 1 results revealed that FGD by-product materials are essentially coal fly ash materials diluted with unreacted sorbent and reaction products. High volume beneficial reuses will depend on the economics of their substituting for existing materials for various types of applications (e.g. as an agricultural liming material, soil borrow for highway embankment construction, and reclamation of active and abandoned surface coal mines). Environmental constraints to the beneficial reuse of dry FGD byproduct materials, based on laboratory and leachate studies, seem to be less than for coal fly ash.

  20. Clean-coal technology by-products used in a highway embankment stabilization demonstration project. Master's thesis

    SciTech Connect (OSTI)

    Nodjomian, S.M.

    1994-01-01

    Clean-coal technology by-products are used in a highway embankment demonstration project. This research chronicles the procedures used in the process and analyzes the stability of a repaired highway embankment. The reconstructed slope is analyzed using an Intelligent Discussion Support System that was developed from a slope stability program. Water quality studies are performed and an instrumentation plan is suggested. The calculated factors of safety and the observed embankment performance give indications that the field demonstration project was a success. Long-term monitoring will be the best barometer for determining embankment gross movement and the future of FGD by-products as a stabilizing material.

  1. An accurate analytic He-H2 potential energy surface from a greatly expanded set of ab initio energies

    E-Print Network [OSTI]

    Arnold I. Boothroyd; Peter G. Martin; Michael R. Peterson

    2004-11-01

    The interaction potential energy surface (PES) of He-H2 is of great importance for quantum chemistry, as the simplest test case for interactions between a molecule and a closed-shell atom. It is also required for a detailed understanding of certain astrophysical processes, namely collisional excitation and dissociation of H2 in molecular clouds, at densities too low to be accessible experimentally. A new set of 23703 ab initio energies was computed, for He-H2 geometries where the interaction energy was expected to be non-negligible. These have an estimated rms "random" error of about 0.2 millihartree and a systematic error of about 0.6 millihartree (0.4 kcal/mol). A new analytic He-H2 PES, with 112 parameters, was fitted to 20203 of these new ab initio energies (and to an additional 4862 points generated at large separations). This yielded an improvement by better than an order of magnitude in the fit to the interaction region, relative to the best previous surfaces (which were accurate only for near-equilibrium H2 molecule sizes). This new PES has an rms error of 0.95 millihartree (0.60 kcal/mole) relative to the the 14585 ab initio energies that lie below twice the H2 dissociation energy, and 2.97 millihartree (1.87 kcal/mole) relative to the full set of 20203 ab initio energies (the fitting procedure used a reduced weight for high energies, yielding a weighted rms error of 1.42 millihartree, i.e., 0.89 kcal/mole). These rms errors are comparable to the estimated error in the ab initio energies themselves; the conical intersection between the ground state and the first excited state is the largest source of error in the PES.

  2. Environmental chamber measurements of mercury flux from coal utilization by-products

    SciTech Connect (OSTI)

    Pekney, Natalie J.; Martello, Donald; Schroeder, Karl; Granite, Evan

    2009-05-01

    An environmental chamber was constructed to measure the mercury flux from coal utilization by-product (CUB) samples. Samples of fly ash, FGD gypsum, and wallboard made from FGD gypsum were tested under both dark and illuminated conditions with or without the addition of water to the sample. Mercury releases varied widely, with 7- day experiment averages ranging from -6.8 to 73 ng/m(2) h for the fly ash samples and -5.2 to 335 ng/m(2) h for the FGD/wallboard samples. Initial mercury content, fly ash type, and light exposure had no observable consistent effects on the mercury flux. For the fly ash samples, the effect of a mercury control technology was to decrease the emission. For three of the four pairs of FGD gypsum and wallboard samples, the wallboard sample released less (or absorbed more) mercury than the gypsum.

  3. Environmental chamber measurements of mercury flux from coal utilization by-products

    SciTech Connect (OSTI)

    Pekney, N.J.; Martello, D.V.; Schroeder, K.T.; Granite, E.J.

    2009-05-01

    An environmental chamber was constructed to measure the mercury flux from coal utilization by-product (CUB) samples. Samples of fly ash, FGD gypsum, and wallboard made from FGD gypsum were tested under both dark and illuminated conditions with or without the addition of water to the sample. Mercury releases varied widely, with 7-day experiment averages ranging from -6.8 to 73 ng/m2 h for the fly ash samples and -5.2 to 335 ng/m2 h for the FGD/wallboard samples. Initial mercury content, fly ash type, and light exposure had no observable consistent effects on the mercury flux. For the fly ash samples, the effect of a mercury control technology was to decrease the emission. For three of the four pairs of FGD gypsum and wallboard samples, the wallboard sample released less (or absorbed more) mercury than the gypsum.

  4. Simplest AB-Thermonuclear Space Propulsion and Electric Generator

    E-Print Network [OSTI]

    Alexander Bolonkin

    2007-01-19

    The author applies, develops and researches mini-sized Micro- AB Thermonuclear Reactors for space propulsion and space power systems. These small engines directly convert the high speed charged particles produced in the thermonuclear reactor into vehicle thrust or vehicle electricity with maximum efficiency. The simplest AB-thermonuclear propulsion offered allows spaceships to reach speeds of 20,000 50,000 km/s (1/6 of light speed) for fuel ratio 0.1 and produces a huge amount of useful electric energy. Offered propulsion system permits flight to any planet of our Solar system in short time and to the nearest non-Sun stars by E-being or intellectual robots during a single human life period. Key words: AB-propulsion, thermonuclear propulsion, space propulsion, thermonuclear power system.

  5. Methanol production with elemental phosphorus byproduct gas: technical and economic feasibility

    SciTech Connect (OSTI)

    Lyke, S.E.; Moore, R.H.

    1981-01-01

    The technical and economic feasibility of using a typical, elemental, phosphorus byproduct gas stream in methanol production is assessed. The purpose of the study is to explore the potential of a substitute for natural gas. The first part of the study establishes economic tradeoffs between several alternative methods of supplying the hydrogen which is needed in the methanol synthesis process to react with CO from the off gas. The preferred alternative is the Battelle Process, which uses natural gas in combination with the off gas in an economically sized methanol plant. The second part of the study presents a preliminary basic design of a plant to (1) clean and compress the off gas, (2) return recovered phosphorus to the phosphorus plant, and (3) produce methanol by the Battelle Process. Use of elemental phosphorus byproduct gas in methanol production appears to be technically feasible. The Battelle Process shows a definite but relatively small economic advantage over conventional methanol manufacture based on natural gas alone. The process would be economically feasible only where natural gas supply and methanol market conditions at a phosphorus plant are not significantly less favorable than at competing methanol plants. If off-gas streams from two or more phosphorus plants could be combined, production of methanol using only offgas might also be economically feasible. The North American methanol market, however, does not seem likely to require another new methanol project until after 1990. The off-gas cleanup, compression, and phosphorus-recovery system could be used to produce a CO-rich stream that could be economically attractive for production of several other chemicals besides methanol.

  6. Proinflammatory adipokine leptin mediates disinfection byproduct bromodichloromethane-induced early steatohepatitic injury in obesity

    SciTech Connect (OSTI)

    Das, Suvarthi; Kumar, Ashutosh; Seth, Ratanesh Kumar; Tokar, Erik J.; Kadiiska, Maria B.; Waalkes, Michael P.; Mason, Ronald P.; Chatterjee, Saurabh

    2013-06-15

    Today's developed world faces a major public health challenge in the rise in the obese population and the increased incidence in fatty liver disease. There is a strong association among diet induced obesity, fatty liver disease and development of nonalcoholic steatohepatitis but the environmental link to disease progression remains unclear. Here we demonstrate that in obesity, early steatohepatitic lesions induced by the water disinfection byproduct bromodichloromethane are mediated by increased oxidative stress and leptin which act in synchrony to potentiate disease progression. Low acute exposure to bromodichloromethane (BDCM), in diet-induced obesity produced oxidative stress as shown by increased lipid peroxidation, protein free radical and nitrotyrosine formation and elevated leptin levels. Exposed obese mice showed histopathological signs of early steatohepatitic injury and necrosis. Spontaneous knockout mice for leptin or systemic leptin receptor knockout mice had significantly decreased oxidative stress and TNF-? levels. Co-incubation of leptin and BDCM caused Kupffer cell activation as shown by increased MCP-1 release and NADPH oxidase membrane assembly, a phenomenon that was decreased in Kupffer cells isolated from leptin receptor knockout mice. In obese mice that were BDCM-exposed, livers showed a significant increase in Kupffer cell activation marker CD68 and, increased necrosis as assessed by levels of isocitrate dehydrogenase, events that were decreased in the absence of leptin or its receptor. In conclusion, our results show that exposure to the disinfection byproduct BDCM in diet-induced obesity augments steatohepatitic injury by potentiating the effects of leptin on oxidative stress, Kupffer cell activation and cell death in the liver. - Highlights: ? BDCM acute exposure sensitizes liver to increased free radical stress in obesity. ? BDCM-induced higher leptin contributes to early steatohepatitic lesions. ? Increased leptin mediates protein radical and 3-nitrotyrosine formation. ? BDCM exposure in obesity activates Kupffer cells and NADPH oxidase. ? BDCM/leptin synergy promotes necrotic cell-death and augments steatohepatitis.

  7. Nonrelativistic molecular models under external magnetic and AB flux fields

    E-Print Network [OSTI]

    Sameer M. Ikhdair; Babatunde J. Falaye; Majid Hamzavi

    2014-12-21

    By using the wave function ansatz method, we study the energy eigenvalues and wave function for any arbitrary $m$-state in two-dimensional Schr\\"{o}dinger wave equation with various power interaction potentials in constant magnetic and Aharonov-Bohm (AB) flux fields perpendicular to the plane where the interacting particles are confined. We calculate the energy levels of some diatomic molecules in the presence and absence of external magnetic and AB flux fields using different potential models. We found that the effect of the Aharonov-Bohm field is much as it creates a wider shift for $m\

  8. Task 1.13 - Data Collection and Database Development for Clean Coal Technology By-Product Characteristics and Management Practices

    SciTech Connect (OSTI)

    Debra F. Pflughoeft-Hassett

    1998-02-01

    U.S. Department of Energy Federal Energy Technology Center-Morgantown (DOE FETC) efforts in the areas of fossil fuels and clean coal technology (CCT) have included involvement with both conventional and advanced process coal conversion by-products. In 1993, DOE submitted a Report to Congress on "Barriers to the Increased Utilization of Coal Combustion Desulfurization Byproducts by Governmental and Commercial Sectors" that provided an outline of activities to remove the barriers identified in the report. DOE charged itself with participation in this process, and the work proposed in this document facilitates DOE's response to its own recommendations for action. The work reflects DOE's commitment to the coal combustion by-product (CCB) industry, to the advancement of clean coal technology, and to cooperation with other government agencies. Information from DOE projects and commercial endeavors in fluidized-bed combustion (FBC) and coal gasification is the focus of this task. The primary goal is to provide an easily accessible compilation of characterization information on the by-products from these processes to government agencies and industry to facilitate sound regulatory and management decisions. Additional written documentation will facilitate the preparation of an updated final version of background information collected for DOE in preparation of the Report to Congress on barriers to CCB utilization.

  9. Evaluation of fisheries by-catch and by-product meals in diets for red drum (Sciaenops ocellatus) 

    E-Print Network [OSTI]

    Whiteman, Kasey

    2006-04-12

    , are increasingly in short supply for the manufacture of animal feeds, including feeds for farmed fish. Therefore, in this study, various by-catch and by-product meals of marine origin were evaluated with red drum (Sciaenops ocellatus), a carnivorous fish species...

  10. Advanced Byproduct Recovery: Direct Catalytic Reduction of Sulfur Dioxide to Elemental Sulfur. Fifth quarterly technical progress report, December 1996

    SciTech Connect (OSTI)

    NONE

    1996-12-01

    More than 170 wet scrubber systems applied, to 72,000 MW of U.S., coal-fired, utility boilers are in operation or under construction. In these systems, the sulfur dioxide removed from the boiler flue gas is permanently bound to a sorbent material, such as lime or limestone. The sulfated sorbent must be disposed of as a waste product or, in some cases, sold as a byproduct (e.g. gypsum). Due to the abundance and low cost of naturally occurring gypsum, and the costs associated with producing an industrial quality product, less than 7% of these scrubbers are configured to produce usable gypsum (and only 1% of all units actually sell the byproduct). The disposal of solid waste from each of these scrubbers requires a landfill area of approximately 200 to 400 acres. In the U.S., a total of 19 million tons of disposable FGD byproduct are produced, transported and disposed of in landfills annually. The use of regenerable sorbent technologies has the potential to reduce or eliminate solid waste production, transportation and disposal. In a regenerable sorbent system, the sulfur dioxide in the boiler flue gas is removed by the sorbent in an adsorber. The S0{sub 2}s subsequently released, in higher concentration, in a regenerator. All regenerable systems produce an off-gas stream from the regenerator that must be processed further in order to obtain a salable byproduct, such as elemental sulfur, sulfuric acid or liquid S0{sub 2}.

  11. MERIT Dismantling I.Efthymiopoulos CERN, AB Dept

    E-Print Network [OSTI]

    McDonald, Kirk

    MERIT Dismantling I.Efthymiopoulos ­ CERN, AB Dept Special thanks to: Michael Lazzaroni, Adrian Fabich and the CERN transport crew MERIT ­ Meeting March 26, 2008 #12;Dismantling schedule Dismantling.Efthymiopoulos - CERN 2 #12;MERIT Dismantling ­ March 18, 2008 March 26, 2008 I.Efthymiopoulos - CERN 3 #12;MERIT

  12. Lithium Insertion In Silicon Nanowires: An ab Initio Study

    E-Print Network [OSTI]

    Cui, Yi

    opportunities for energy storage. However, a systematic theoretical study on lithium insertion in SiNWs remains storage devices. Silicon has the highest known specific charge capacity (4200 mAh/g), which is 10 timesLithium Insertion In Silicon Nanowires: An ab Initio Study Qianfan Zhang, Wenxing Zhang, Wenhui Wan

  13. BNL-68198-AB COMPILATION OF INVENTORIES OF INDUSTRIAL EMISSIONS

    E-Print Network [OSTI]

    BNL-68198-AB COMPILATION OF INVENTORIES OF INDUSTRIAL EMISSIONS Carmen M. Benkovitz Atmospheric inventories additional parnmeters (such as sulfur content of fuels). To compile regional and global by national experts or directly estimate emissions based on activity rates from reports compiled by multi

  14. Models for Longitudinal Network Data Tom A.B. Snijders

    E-Print Network [OSTI]

    Fienberg, Stephen E.

    Models for Longitudinal Network Data Tom A.B. Snijders ICS, Department of Sociology University are made at discrete time points (two or more). Three models are considered in detail, all based, but lacks other structural effects. The actor-oriented model is based on a model of actors changing

  15. Nitrogen Contamination in Elastic Neutron Scattering Songxue Chi,ab

    E-Print Network [OSTI]

    Lynn, Jeffrey W.

    Nitrogen Contamination in Elastic Neutron Scattering Songxue Chi,ab Jeffrey W. Lynn,a* Ying Chen a neutron scattering measurement is a contribution to the background, especially in inelastic measurements of having N2 in the sample environment system during elastic neutron scattering measurements on a single

  16. Ab Frhjahr 2009 startet hier der Bau von sechs Offshore-

    E-Print Network [OSTI]

    Nejdl, Wolfgang

    Ab Frühjahr 2009 startet hier der Bau von sechs Offshore- Windenergieanlagen (OWEA) vom Typ Ent- wicklung der Offshore-Wind- energie besondere Bedeutung zu. Derzeit laufen in der Aus Vorhaben durchgeführt. Acht Einleitung Ziel der Bundesregierung ist es, bis zum Jahr 2030 Offshore

  17. Contract NNS07AB21C Page 5 of 1478

    E-Print Network [OSTI]

    Christian, Eric

    System/ANSI/ISO/ASQC Q9001-2000 E.5 Quality Assurance Surveillance Plan #12;Contract NNS07AB21C Page 6, Certifications, and Other Statements of Offerors H.4 Small Business Subcontracting Plan H.5 Reserved H.6

  18. Ultrafine particles in cities Prashant Kumar a,b,

    E-Print Network [OSTI]

    Cooper, Robin L.

    Review Ultrafine particles in cities Prashant Kumar a,b, , Lidia Morawska c , Wolfram Birmili d Analysis (IIASA), Laxenburg, Austria g State Key Joint Laboratory of Environmental Simulation and Pollution 4 February 2014 Keywords: City environment Particle exposure Health impacts Particle number

  19. Heat transfer in proteinwater interfaces Anders Lervik,ab

    E-Print Network [OSTI]

    Kjelstrup, Signe

    Heat transfer in protein­water interfaces Anders Lervik,ab Fernando Bresme,*ac Signe Kjelstrup of the heat diffusion equation we compute the thermal conductivity and thermal diffusivity of the proteins by about 4 nm.4 It is expected that the energy transfer between these sites may involve the concerted

  20. AB Proton NMR Analysis for 2,3dibromothiophene Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    AB Proton NMR Analysis for 2,3dibromothiophene Frank Rioux CSB|SJU The purpose proton nmr spectrum. The nuclear magnetic energy operator for the AB system is given below. ^ ^ ^ ^ ^A B

  1. Ab Initio Many-Body Calculations Of Light-Ion Reactions | SciTech...

    Office of Scientific and Technical Information (OSTI)

    Conference: Ab Initio Many-Body Calculations Of Light-Ion Reactions Citation Details In-Document Search Title: Ab Initio Many-Body Calculations Of Light-Ion Reactions You are...

  2. Ab Initio Thermodynamic Study of the CO2 Capture Properties of...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Ab Initio Thermodynamic Study of the CO2 Capture Properties of Potassium Carbonate Sesquihydrate, K2CO31.5H2O Citation Details In-Document Search Title: Ab...

  3. Electrostatic AB-Ramjet Space Propulsion

    E-Print Network [OSTI]

    Alexander Bolonkin

    2007-01-08

    A new electrostatic ramjet space engine is proposed and analyzed. The upper atmosphere (85 -1000 km) is extremely dense in ions (millions per cubic cm). The interplanetary medium contains positive protons from the solar wind. A charged ball collects the ions (protons) from the surrounding area and a special electric engine accelerates the ions to achieve thrust or decelerates the ions to achieve drag. The thrust may have a magnitude of several Newtons. If the ions are decelerated, the engine produces a drag and generates electrical energy. The theory of the new engine is developed. It is shown that the proposed engine driven by a solar battery (or other energy source) can not only support satellites in their orbit for a very long time but can also work as a launcher of space apparatus. The latter capability includes launch to high orbit, to the Moon, to far space, or to the Earth atmosphere (as a return thruster for space apparatus or as a killer of space debris). The proposed ramjet is very useful in interplanetary trips to far planets because it can simultaneously produce thrust or drag and large electric energy using the solar wind. Two scenarios, launch into the upper Earth atmosphere and an interplanetary trip, are simulated and the results illustrate the excellent possibilities of the new concept.

  4. 30th March 2007 A.Fabich, CERN AB-ATB 1 Status of the Experiment

    E-Print Network [OSTI]

    McDonald, Kirk

    badge and electronic dosimeter obligatory For a limited time period. AB/OP is informed about the access

  5. The robustness of keystone indices in food webs Anna Fedor a,b,, Vera Vasas a,b

    E-Print Network [OSTI]

    Chittka, Lars

    The robustness of keystone indices in food webs Anna Fedor a,b,Ã, Vera Vasas a,b a E¨otv¨os Lorand Accepted 2 July 2009 Available online 8 July 2009 Keywords: Network construction Keystone species Food web are called keystone species. Network indices are increasingly used to identify them, e.g. for conservation

  6. Blind separation of sources that have spatiotemporal variance dependencies

    E-Print Network [OSTI]

    Hyvärinen, Aapo

    Institute for Information Technology, Basic Research Unit, Dept of Computer Science, University of Helsinki; Helsinki Institute for Information Technology / BRU, P.O.Box 26, FIN­00014 University of Helsinki, FaxBlind separation of sources that have spatiotemporal variance dependencies Aapo HyvË? arinen a;b;#3

  7. Ab-initio calculations on two-electron ions in strongly coupled plasma environment

    E-Print Network [OSTI]

    Bhattacharyya, S; Mukherjee, T K

    2015-01-01

    In this work, the controversy between the interpretations of recent measurements on dense aluminum plasma created with Linac coherent light sources (LCLS) X-ray free electron laser (FEL) and Orion laser has been addressed. In both kind of experiments, helium-like and hydrogen-like spectral lines are used for plasma diagnostics . However, there exist no precise theoretical calculations for He-like ions within dense plasma environment. The strong need for an accurate theoretical estimates for spectral properties of He-like ions in strongly coupled plasma environment leads us to perform ab initio calculations in the framework of Rayleigh-Ritz variation principle in Hylleraas coordinates where ion-sphere potential is used. An approach to resolve the long-drawn problem of numerical instability for evaluating two-electron integrals with extended basis inside a finite domain is presented here. The present values of electron densities corresponding to disappearance of different spectral lines obtained within the fram...

  8. FGD Additives to Segregate and Sequester Mercury in Solid Byproducts - Final Report

    SciTech Connect (OSTI)

    Searcy, K; Bltyhe, G M; Steen, W A

    2012-02-28

    Many mercury control strategies for U.S. coal-fired power generating plants involve co-benefit capture of oxidized mercury from flue gases treated by wet flue gas desulfurization (FGD) systems. For these processes to be effective at overall mercury control, the captured mercury must not be re-emitted to the atmosphere or into surface or ground water. The project sought to identify scrubber additives and FGD operating conditions under which mercury re-emissions would decrease and mercury would remain in the liquor and be blown down from the system in the chloride purge stream. After exiting the FGD system, mercury would react with precipitating agents to form stable solid byproducts and would be removed in a dewatering step. The FGD gypsum solids, free of most of the mercury, could then be disposed or processed for reuse as wallboard or in other beneficial reuse. The project comprised extensive bench-scale FGD scrubber tests in Phases I and II. During Phase II, the approaches developed at the bench scale were tested at the pilot scale. Laboratory wastewater treatment tests measured the performance of precipitating agents in removing mercury from the chloride purge stream. Finally, the economic viability of the approaches tested was evaluated.

  9. Electrolysis byproduct D2O provides a third way to mitigate CO2

    SciTech Connect (OSTI)

    Schenewerk, William Ernest

    2009-09-01

    Rapid atomic power deployment may be possible without using fast breeder reactors or making undue demands on uranium resource. Using by-product D2O and thorium-U233 in CANDU and RBMK piles may circumvent need for either fast breeder reactors or seawater uranium. Atmospheric CO2 is presently increasing 2.25%/year in proportion to 2.25%/year exponential fossil fuel consumption increase. Roughly 1/3 anthropologic CO2 is removed by various CO2 sinks. CO2 removal is modelled as being proportional to 45-year-earlier CO2 amount above 280 ppm-C Water electrolysis produces roughly 0.1 kg-D20/kWe-y. Material balance assumes each electrolysis stage increases D2O bottoms concentration times 3. Except for first two electrolysis stages, all water from hydrogen consumption is returned to electrolysis. The unique characteristic of this process is the ability to economically burn all deuterium-enriched H2 in vehicles. Condensate from vehicles returns to appropriate electrolysis stage. Fuel cell condensate originally from reformed natural gas may augment second-sage feed. Atomic power expansion is 5%/year, giving 55000 GWe by 2100. World primary energy increases 2.25%/y, exceeding 4000 EJ/y by 2100. CO2 maximum is roughly 600 ppm-C around year 2085. CO2 declines back below 300 ppm-C by 2145 if the 45-year-delay seawater sink remains effective.

  10. X13A/B SAFETY CHECKLIST BROOKHAVEN NATIONAL LABORATORY NATIONAL SYNCHROTRON LIGHT SOURCE

    E-Print Network [OSTI]

    Johnson, Peter D.

    and secure, as per photo. 3. Mirror Tank shielded and (3) view ports secured with screwed lead covers as per. Bremsstrahlung shield (BS #3) in place and banded as per photo. 9. Leaded glass on X13B monochromator tank view hutch) On X12 side of beamline: 2. Exclusion Zone #1 (EZ1) and Bremsstrahlung shield (BS #1) in place

  11. Spin-orbit decomposition of ab initio wavefunctions

    E-Print Network [OSTI]

    Calvin W. Johnson

    2015-04-13

    Although the modern shell-model picture of atomic nuclei is built from single-particle orbits with good total angular momentum $j$, leading to $j$-$j$ coupling, phenomenological models suggested decades ago that for $0p$-shell nuclides a simpler picture can be realized via coupling of total spin $S$ and total orbital angular momentum $L$. I revisit this idea with large-basis, no-core shell model (NCSM) calculations using modern \\textit{ab initio} two-body interactions, and dissect the resulting wavefunctions into their component $L$- and $S$-components. Remarkably, there is broad agreement with calculations using the phenomenological Cohen-Kurath forces, despite a gap of nearly fifty years and six orders of magnitude in basis dimensions. I suggest $L$-$S$ may be a useful tool for analyzing \\textit{ab initio} wavefunctions of light nuclei, for example in the case of rotational bands.

  12. Ab initio calculations of light-ion fusion reactions

    SciTech Connect (OSTI)

    Hupin, G.; Quaglioni, S.; Navratil, P.

    2012-10-20

    The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics. Above all nuclear scattering and reactions, which require the solution of the many-body quantum-mechanical problem in the continuum, represent an extraordinary theoretical as well as computational challenge for ab initio approaches. The ab initio No-Core Shell Model/Resonating-Group Method (NCSM/RGM) complements a microscopic cluster technique with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. This approach is capable of describing simultaneously both bound and scattering states in light nuclei. Recent applications to light nuclei scattering and fusion reactions relevant to energy production in stars and Earth based fusion facilities, such as the deuterium-{sup 3}He fusion, are presented. Progress toward the inclusion of the three nucleon force into the formalism is outlined.

  13. Ab initio calculations of nuclear widths via an integral relation

    E-Print Network [OSTI]

    Kenneth M. Nollett

    2012-05-31

    I describe the computation of energy widths of nuclear states using an integral over the interaction region of ab initio variational Monte Carlo wave functions, and I present calculated widths for many states. I begin by presenting relations that connect certain short-range integrals to widths. I then present predicted widths for 5 integral relation, I conclude that overlap calculations can diagnose cases in which computed widths should not be trusted.

  14. Management of dry flue gas desulfurization by-products in underground mines. Topical report, April 1, 1996--April 30, 1997

    SciTech Connect (OSTI)

    Chugh, Y.P.; Brackebusch, F.; Carpenter, J.

    1998-12-31

    This report represents the Final Technical Progress Report for Phase II of the overall program for a cooperative research agreement between the U.S. Department of Energy - MORGANTOWN Energy Technology Center (DOE-METC) and Southern Illinois University at Carbondale (SIUC). Under the agreement, SIUC will develop and demonstrate technologies for the handling, transport, and placement in abandoned underground coal mines of dry flue gas desulfurization by-products, such as fly ash, scrubber sludge, fluidized bed combustion by-products, and will assess the environmental impact of such underground placement. The overall program is divided into three (3) phases. Phase II of the program is primarily concerned with developing and testing the hardware for the actual underground placement demonstrations. Two technologies have been identified and hardware procured for full-scale demonstrations: (1) hydraulic placement, where coal combustion by-products (CCBs) will be placed underground as a past-like mixture containing about 70 to 75 percent solids; and (2) pneumatic placement, where CCBs will be placed underground as a relatively dry material using compressed air. 42 refs., 36 figs., 36 tabs.

  15. Ion source

    DOE Patents [OSTI]

    Leung, Ka-Ngo (Hercules, CA); Ehlers, Kenneth W. (Alamo, CA)

    1984-01-01

    A magnetic filter for an ion source reduces the production of undesired ion species and improves the ion beam quality. High-energy ionizing electrons are confined by the magnetic filter to an ion source region, where the high-energy electrons ionize gas molecules. One embodiment of the magnetic filter uses permanent magnets oriented to establish a magnetic field transverse to the direction of travel of ions from the ion source region to the ion extraction region. In another embodiment, low energy 16 eV electrons are injected into the ion source to dissociate gas molecules and undesired ion species into desired ion species.

  16. Ab initio calculations of reactions with light nuclei

    E-Print Network [OSTI]

    S. Quaglioni; G. Hupin; A. Calci; P. Navratil; R. Roth

    2015-09-30

    An {\\em ab initio} (i.e., from first principles) theoretical framework capable of providing a unified description of the structure and low-energy reaction properties of light nuclei is desirable to further our understanding of the fundamental interactions among nucleons, and provide accurate predictions of crucial reaction rates for nuclear astrophysics, fusion-energy research, and other applications. In this contribution we review {\\em ab initio} calculations for nucleon and deuterium scattering on light nuclei starting from chiral two- and three-body Hamiltonians, obtained within the framework of the {\\em ab initio} no-core shell model with continuum. This is a unified approach to nuclear bound and scattering states, in which square-integrable energy eigenstates of the $A$-nucleon system are coupled to $(A-a)+a$ target-plus-projectile wave functions in the spirit of the resonating group method to obtain an efficient description of the many-body nuclear dynamics both at short and medium distances and at long ranges.

  17. Ab Initio Nuclear Structure and Reaction Calculations for Rare Isotopes

    SciTech Connect (OSTI)

    Draayer, Jerry P.

    2014-09-28

    We have developed a novel ab initio symmetry-adapted no-core shell model (SA-NCSM), which has opened the intermediate-mass region for ab initio investigations, thereby providing an opportunity for first-principle symmetry-guided applications to nuclear structure and reactions for nuclear isotopes from the lightest p-shell systems to intermediate-mass nuclei. This includes short-lived proton-rich nuclei on the path of X-ray burst nucleosynthesis and rare neutron-rich isotopes to be produced by the Facility for Rare Isotope Beams (FRIB). We have provided ab initio descriptions of high accuracy for low-lying (including collectivity-driven) states of isotopes of Li, He, Be, C, O, Ne, Mg, Al, and Si, and studied related strong- and weak-interaction driven reactions that are important, in astrophysics, for further understanding stellar evolution, X-ray bursts and triggering of s, p, and rp processes, and in applied physics, for electron and neutrino-nucleus scattering experiments as well as for fusion ignition at the National Ignition Facility (NIF).

  18. Ab initio calculations of reactions with light nuclei

    E-Print Network [OSTI]

    Quaglioni, S; Calci, A; Navratil, P; Roth, R

    2015-01-01

    An {\\em ab initio} (i.e., from first principles) theoretical framework capable of providing a unified description of the structure and low-energy reaction properties of light nuclei is desirable to further our understanding of the fundamental interactions among nucleons, and provide accurate predictions of crucial reaction rates for nuclear astrophysics, fusion-energy research, and other applications. In this contribution we review {\\em ab initio} calculations for nucleon and deuterium scattering on light nuclei starting from chiral two- and three-body Hamiltonians, obtained within the framework of the {\\em ab initio} no-core shell model with continuum. This is a unified approach to nuclear bound and scattering states, in which square-integrable energy eigenstates of the $A$-nucleon system are coupled to $(A-a)+a$ target-plus-projectile wave functions in the spirit of the resonating group method to obtain an efficient description of the many-body nuclear dynamics both at short and medium distances and at long...

  19. Electron trapping by a current vortex F. Bentosela, a;b P. Exner, c;d and V.A. Zagrebnov a;b

    E-Print Network [OSTI]

    simpler example involves a Pauli electron interacting with a flux tube modelling a vortex magnetic fieldElectron trapping by a current vortex F. Bentosela, a;b P. Exner, c;d and V.A. Zagrebnov a;b a with the magnetic field due to an electric current forming a localized rotationally symmetric vortex. We show

  20. ADVANCED BYPRODUCT RECOVERY: DIRECT CATALYTIC REDUCTION OF SO2 TO ELEMENTAL SULFUR

    SciTech Connect (OSTI)

    Robert S. Weber

    1999-05-01

    Arthur D. Little, Inc., together with its commercialization partner, Engelhard Corporation, and its university partner Tufts, investigated a single-step process for direct, catalytic reduction of sulfur dioxide from regenerable flue gas desulfurization processes to the more valuable elemental sulfur by-product. This development built on recently demonstrated SO{sub 2}-reduction catalyst performance at Tufts University on a DOE-sponsored program and is, in principle, applicable to processing of regenerator off-gases from all regenerable SO{sub 2}-control processes. In this program, laboratory-scale catalyst optimization work at Tufts was combined with supported catalyst formulation work at Engelhard, bench-scale supported catalyst testing at Arthur D. Little and market assessments, also by Arthur D. Little. Objectives included identification and performance evaluation of a catalyst which is robust and flexible with regard to choice of reducing gas. The catalyst formulation was improved significantly over the course of this work owing to the identification of a number of underlying phenomena that tended to reduce catalyst selectivity. The most promising catalysts discovered in the bench-scale tests at Tufts were transformed into monolith-supported catalysts at Engelhard. These catalyst samples were tested at larger scale at Arthur D. Little, where the laboratory-scale results were confirmed, namely that the catalysts do effectively reduce sulfur dioxide to elemental sulfur when operated under appropriate levels of conversion and in conditions that do not contain too much water or hydrogen. Ways to overcome those limitations were suggested by the laboratory results. Nonetheless, at the end of Phase I, the catalysts did not exhibit the very stringent levels of activity or selectivity that would have permitted ready scale-up to pilot or commercial operation. Therefore, we chose not to pursue Phase II of this work which would have included further bench-scale testing, scale-up, pilot-scale (0.5 MW{sub e}) testing at conditions representative of various regenerable SO{sub 2}-control systems, preparation of a commercial process design, and development of a utility-scale demonstration plan.

  1. Mercury and Air Toxic Element Impacts of Coal Combustion By-Product Disposal and Utilizaton

    SciTech Connect (OSTI)

    David Hassett; Loreal Heebink; Debra Pflughoeft-Hassett; Tera Buckley; Erick Zacher; Mei Xin; Mae Sexauer Gustin; Rob Jung

    2007-03-31

    The University of North Dakota Energy & Environmental Research Center (EERC) conducted a multiyear study to evaluate the impact of mercury and other air toxic elements (ATEs) on the management of coal combustion by-products (CCBs). The ATEs evaluated in this project were arsenic, cadmium, chromium, lead, nickel, and selenium. The study included laboratory tasks to develop measurement techniques for mercury and ATE releases, sample characterization, and release experiments. A field task was also performed to measure mercury releases at a field site. Samples of fly ash and flue gas desulfurization (FGD) materials were collected preferentially from full-scale coal-fired power plants operating both without and with mercury control technologies in place. In some cases, samples from pilot- and bench-scale emission control tests were included in the laboratory studies. Several sets of 'paired' baseline and test fly ash and FGD materials collected during full-scale mercury emission control tests were also included in laboratory evaluations. Samples from mercury emission control tests all contained activated carbon (AC) and some also incorporated a sorbent-enhancing agent (EA). Laboratory release experiments focused on measuring releases of mercury under conditions designed to simulate CCB exposure to water, ambient-temperature air, elevated temperatures, and microbes in both wet and dry conditions. Results of laboratory evaluations indicated that: (1) Mercury and sometimes selenium are collected with AC used for mercury emission control and, therefore, present at higher concentrations than samples collected without mercury emission controls present. (2) Mercury is stable on CCBs collected from systems both without and with mercury emission controls present under most conditions tested, with the exception of vapor-phase releases of mercury exposed to elevated temperatures. (3) The presence of carbon either from added AC or from unburned coal can result in mercury being sorbed onto the CCB when exposed to ambient-temperature air. The environmental performance of the mercury captured on AC used as a sorbent for mercury emission control technologies indicated that current CCB management options will continue to be sufficiently protective of the environment, with the potential exception of exposure to elevated temperatures. The environmental performance of the other ATEs investigated indicated that current management options will be appropriate to the CCBs produced using AC in mercury emission controls.

  2. Ab initio investigation of intermolecular interactions in solid benzene

    E-Print Network [OSTI]

    O. Bludsky; M. Rubes; P. Soldan

    2008-01-04

    A computational strategy for the evaluation of the crystal lattice constants and cohesive energy of the weakly bound molecular solids is proposed. The strategy is based on the high level ab initio coupled-cluster determination of the pairwise additive contribution to the interaction energy. The zero-point-energy correction and non-additive contributions to the interaction energy are treated using density functional methods. The experimental crystal lattice constants of the solid benzene are reproduced, and the value of 480 meV/molecule is calculated for its cohesive energy.

  3. AB 1007 Full Fuel Cycle Analysis (FFCA) Peer Review

    SciTech Connect (OSTI)

    Rice, D; Armstrong, D; Campbell, C; Lamont, A; Gallegos, G; Stewart, J; Upadhye, R

    2007-01-19

    LLNL is a participant of California's Advanced Energy Pathways (AEP) team funded by DOE (NETL). At the AEP technical review meeting on November 9, 2006. The AB 1007 FFCA team (Appendix A) requested LLNL participate in a peer review of the FFCA reports. The primary contact at the CEC was McKinley Addy. The following reports/presentations were received by LLNL: (1) Full Fuel Cycle Energy and Emissions Assumptions dated September 2006, TIAX; (2) Full Fuel cycle Assessment-Well to Tank Energy Inputs, Emissions, and Water Impacts dated December 2006, TIAX; and (3) Full Fuel Cycle Analysis Assessment dated October 12, 2006, TIAX.

  4. Ab Initio study of neutron drops with chiral Hamiltonians

    E-Print Network [OSTI]

    H. D. Potter; S. Fischer; P. Maris; J. P. Vary; S. Binder; A. Calci; J. Langhammer; R. Roth

    2014-12-20

    We report ab initio calculations for neutron drops in a 10 MeV external harmonic-oscillator trap using chiral nucleon-nucleon plus three-nucleon interactions. We present total binding energies, internal energies, radii and odd-even energy differences for neutron numbers N = 2 - 18 using the no-core shell model with and without importance truncation. Furthermore, we present total binding energies for N = 8, 16, 20, 28, 40, 50 obtained in a coupled-cluster approach. Comparisons with Green's Function Monte Carlo results, where available, using Argonne v8' with three-nucleon interactions reveal important dependences on the chosen Hamiltonian.

  5. MHK Projects/Galena ABS Alaskan | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource HistoryScenarios Towards 2050 JumpCoos Bay OPT WaveFishers IslandShelter IslandABS

  6. MHK Projects/Ruby ABS Alaskan | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource HistoryScenarios Towards 2050 JumpCoos BayOysterReliance Light ProjectRuby ABS

  7. Land application uses of dry FGD by-products. [Quarterly] report, July 1, 1993--September 30, 1993

    SciTech Connect (OSTI)

    Dick, W.A.; Beeghly, J.H.

    1993-12-31

    Reclamation of mine-sites with acid overburden requires the use of alkaline amendments and represents a potential high-volume use of alkaline dry flue gas desulfurization (FGD) by products. In a greenhouse study, 25-cm columns of acid mine spoil were amended with two FGD by-products; lime injection multistage burners (LIMB) fly ash or pressurized fluidized bed (PFBC) fly ash at rates of 0, 4, 8, 16, and 32% by weight (0, 40, 80, 160, and 320 tons/acre). Amended spoil was covered with 20 cm of acid topsoil amended with the corresponding FGD by-product to pH 7. Column leachate pH increased with FGD amendment rate while leachate Fe, Mn, and Zn decreased, Leachate Ca, S, and Mg decreased with LIMB amendment rate and increased with PFBC amendment. Leachate concentrations of regulated metals were decreased or unaffected by FGD amendment except for Se which was increased by PFBC. Spoil pH was increased up to 8.9 by PFBC, and up to 9.2 by LIMB amendment. Spoil pH also increased with depth with FGD amendments of 16 and 32%, Yield of fescue was increased by FGD amendment of 4 to 8%. Plant tissue content of most elements was unaffected by FGD amendment rate, and no toxicity symptoms were observed. Plant Ca and Mg were increased by LIMB and PFBC respectively, while plant S, Mn and Sr were decreased. Plant Ca and B was increased by LIMB, and plant Mg and S by PFBC amendment. These results indicate dry FGD by-products are effective in ameliorating acid, spoils and have a low potential for creating adverse environmental impacts.

  8. Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates

    SciTech Connect (OSTI)

    Chaka, Anne M.; Felmy, Andrew R.

    2014-03-28

    An ab initio thermodynamic framework for predicting properties of hydrated magnesium carbonate minerals has been developed using density-functional theory linked to macroscopic thermodynamics through the experimental chemical potentials for MgO, water, and CO2. Including semiempirical dispersion via the Grimme method and small corrections to the generalized gradient approximation of Perdew, Burke, and Ernzerhof for the heat of formation yields a model with quantitative agreement for the benchmark minerals brucite, magnesite, nesquehonite, and hydromagnesite. The model shows how small differences in experimental conditions determine whether nesquehonite, hydromagnesite, or magnesite is the result of laboratory synthesis from carbonation of brucite, and what transformations are expected to occur on geological time scales. Because of the reliance on parameter-free first principles methods, the model is reliably extensible to experimental conditions not readily accessible to experiment and to any mineral composition for which the structure is known or can be hypothesized, including structures containing defects, substitutions, or transitional structures during solid state transformations induced by temperature changes or processes such as water, CO2, or O2 diffusion. Demonstrated applications of the ab initio thermodynamic framework include an independent means to evaluate differences in thermodynamic data for lansfordite, predicting the properties of Mg analogs of Ca-based hydrated carbonates monohydrocalcite and ikaite which have not been observed in nature, and an estimation of the thermodynamics of barringtonite from the stoichiometry and a single experimental observation.

  9. Technical support for the Ohio Clean Coal Technology Program. Volume 2, Baseline of knowledge concerning process modification opportunities, research needs, by-product market potential, and regulatory requirements: Final report

    SciTech Connect (OSTI)

    Olfenbuttel, R.; Clark, S.; Helper, E.; Hinchee, R.; Kuntz, C.; Means, J.; Oxley, J.; Paisley, M.; Rogers, C.; Sheppard, W.; Smolak, L.

    1989-08-28

    This report was prepared for the Ohio Coal Development Office (OCDO) under Grant Agreement No. CDO/R-88-LR1 and comprises two volumes. Volume 1 presents data on the chemical, physical, and leaching characteristics of by-products from a wide variety of clean coal combustion processes. Volume 2 consists of a discussion of (a) process modification waste minimization opportunities and stabilization considerations; (b) research and development needs and issues relating to clean coal combustion technologies and by-products; (c) the market potential for reusing or recycling by-product materials; and (d) regulatory considerations relating to by-product disposal or reuse.

  10. AUTOMATIC MAPPING FROM ULTRA-LIGHT UAV IMAGERY Christoph Strecha a,b

    E-Print Network [OSTI]

    Fua, Pascal

    AUTOMATIC MAPPING FROM ULTRA-LIGHT UAV IMAGERY Christoph Strecha a,b , Olivier Küng a,b and Pascal.kueng@pix4d.com) KEY WORDS: UAV, mapping, ortho-image, DSM, Structure and Motion ABSTRACT: This paper presents an affordable, fully automated and accurate mapping solutions based on ultra-light UAV imagery

  11. New Aperture and PSF Photometry QSO 0957+561A,B

    E-Print Network [OSTI]

    Ovaldsen, Jan-Erik

    New Aperture and PSF Photometry of QSO 0957+561A,B Application to Time Delay and Microlensing Aperture and PSF Photometry of QSO 0957+561A,B", is distributed under the terms of the Public Library was initiated with the aim of developing a photometry program to reduce the CCD frames. The results were

  12. Low-voltage, low-power, low switching error, class-AB switched current

    E-Print Network [OSTI]

    Serdijn, Wouter A.

    Low-voltage, low-power, low switching error, class-AB switched current memory cell C. Sawigun and W into two components by a low-voltage class-AB current splitter and subsequently processes the individual signals by two low switching error class-A memory cells. As a conse- quence, the output current obtained

  13. Adaptation of hybrid five-phase ABS algorithms for experimental validation

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    -lock braking, Hybrid control systems, Limit cycle analysis, Experimental validation, Quarter-car. 1Adaptation of hybrid five-phase ABS algorithms for experimental validation Mathieu Gerard WilliamAnti-lock Braking System (ABS) is the most important active safety system for passenger cars, but unfortunately

  14. An Occupied Subspace Optimization for Linear Scaling in LargeScale Ab Initio Electronic

    E-Print Network [OSTI]

    Raczkowski, David

    1 CONTENTS An Occupied Subspace Optimization for Linear Scaling in Large­Scale Ab Initio Electronic 2000 Physics An Occupied Subspace Optimization for Linear Scaling in Large Scale Ab Initio Electronic Structure Calculations Abstract We present an approach to electronic structure calcu­ lations that replaces

  15. Data Mining Approach to Ab-Initio Prediction of Crystal Structure Dane Morgan, Gerbrand Ceder

    E-Print Network [OSTI]

    Curtarolo, Stefano

    Data Mining Approach to Ab-Initio Prediction of Crystal Structure Dane Morgan, Gerbrand Ceder of possible structures for new alloys. Here we describe ongoing work on a novel method (Data Mining of Quantum Calculations, or DMQC) that applies data mining techniques to existing ab initio data in order to increase

  16. Embedding parameters in ab initio theory to develop well-controlled approximations based on molecular similarity

    E-Print Network [OSTI]

    Yaron, David

    Embedding parameters in ab initio theory to develop well- controlled approximations based Journal of Chemical Theory and Computation #12;1 Embedding parameters in ab initio theory to develop well-controlled on molecular similarity Journal: Journal of Chemical Theory and Computation Manuscript ID: Draft Manuscript

  17. Input Substitution and Business Energy Consumption: Evidence from ABS Energy Survey Data

    E-Print Network [OSTI]

    1 Input Substitution and Business Energy Consumption: Evidence from ABS Energy Survey Data Kay Cao applies the system of equations approach to energy consumption modelling using the ABS 2008-09 Energy of equations, energy consumption modelling, elasticity of substitution JEL codes: C51, D24 * Please do

  18. Engine with hydraulic fuel injection and ABS circuit using a single high pressure pump

    DOE Patents [OSTI]

    Bartley, Bradley E. (Manito, IL); Blass, James R. (Bloomington, IL); Gibson, Dennis H. (Chillicothe, IL)

    2001-01-01

    An engine system comprises a hydraulically actuated fuel injection system and an ABS circuit connected via a fluid flow passage that provides hydraulic fluid to both the fuel injection system and to the ABS circuit. The hydraulically actuated system includes a high pressure pump. The fluid control passage is in fluid communication with an outlet from the high pressure pump.

  19. SUPPLEMENTARY MATERIAL Global ab initio ground-state potential energy surface of N4

    E-Print Network [OSTI]

    Truhlar, Donald G

    . Date of final revision of this supplementary material: Feb. 7, 2014 Table of contents, supplementary energy function S-4 Figures S1-S8 S-6 Fortran conversion subroutine, internal coordinates to Cartesian coordinates S-14 N4 ab initio data set, internal coordinates S-17 N4 ab initio data set, Cartesian coordinates

  20. ASTR. 403/Phys. 402 -Syllabus Spring 2013 Instructors: Bruce Draine [BTD], Adam Burrows [AB

    E-Print Network [OSTI]

    Draine, Bruce T.

    : Gravity, Magnetic Fields, and Turbulence 6 H BTD Star Formation: Angular Momentum Problem; Magnetic Flux Problem 11 BTD Star Formation: Protostellar Classes and Star Formation Rates 13, Wednesday MID-TERM EXAM Transfer, and Convection 8 AB Scaling Relations and Polytropes 10 H AB Nuclear Masses, Fusion Reactions

  1. A nanocontainer for the storage of hydrogen , X. Gu a,b

    E-Print Network [OSTI]

    Gong, Xingao

    A nanocontainer for the storage of hydrogen X. Ye a,b , X. Gu a,b , X.G. Gong b , Tony K.M. Shing than the typical pressure of a few hundred bar currently employed for hydrogen storage. At 2.5 GPa. Introduction Storage of hydrogen is a crucial link between hydrogen production and its use as a clean fuel

  2. Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab-Initio Calculations

    E-Print Network [OSTI]

    Curtarolo, Stefano

    Assessing the Thermoelectric Properties of Sintered Compounds via High-Throughput Ab Database have been considered as nanograined, sintered-powder thermoelectrics with the high-throughput ab the electronic band gap and the carrier effective mass, and that the probability of having large thermoelectric

  3. Cheap Artificial AB-Mountains, Extraction of Water and Energy from Atmosphere and Change of Regional Climate

    E-Print Network [OSTI]

    Alexander Bolonkin

    2008-05-11

    Author suggests and researches a new revolutionary method for changing the climates of entire countries or portions thereof, obtaining huge amounts of cheap water and energy from the atmosphere. In this paper is presented the idea of cheap artificial inflatable mountains, which may cardinally change the climate of a large region or country. Additional benefits: The potential of tapping large amounts of fresh water and energy. The mountains are inflatable semi-cylindrical constructions from thin film (gas bags) having heights of up to 3 - 5 km. They are located perpendicular to the main wind direction. Encountering these artificial mountains, humid air (wind) rises to crest altitude, is cooled and produces rain (or rain clouds). Many natural mountains are sources of rivers, and other forms of water and power production - and artificial mountains may provide these services for entire nations in the future. The film of these gasbags is supported at altitude by small additional atmospheric overpressure and may be connected to the ground by thin cables. The author has shown (in previous works about the AB-Dome) that this closed AB-Dome allows full control of the weather inside the Dome (the day is always fine, the rain is only at night, no strong winds) and influence to given region. This is a realistic and cheap method of economical irrigation, getting energy and virtual weather control on Earth at the current time.

  4. Diode laser welding of ABS: Experiments and process modeling

    E-Print Network [OSTI]

    Ilie, Mariana; Mattei, Simone; Cicala, Eugen; Stoica, Virgil; 10.1016/j.optlastec.2008.10.005

    2010-01-01

    The laser beam weldability of acrylonitrile/butadiene/styrene (ABS) plates is determined by combining both experimental and theoretical aspects. In modeling the process, an optical model is used to determine how the laser beam is attenuated by the first material and to obtain the laser beam profile at the interface. Using this information as the input data to a thermal model, the evolution of the temperature field within the two components can be estimated. The thermal model is based on the first principles of heat transfer and utilizes the temperature variation laws of material properties. Corroborating the numerical results with the experimental results, some important insights concerning the fundamental phenomena that govern the process could be extracted. This approach proved to be an efficient tool in determining the weldability of polimeric materials and assures a significant reduction of time and costs with the experimental exploration.

  5. A Review on Ab Initio Approaches for Multielectron Dynamics

    E-Print Network [OSTI]

    Ishikawa, Kenichi L

    2015-01-01

    In parallel with the evolution of femtosecond and attosecond laser as well as free-electron laser technology, a variety of theoretical methods have been developed to describe the behavior of atoms, molecules, clusters, and solids under the action of those laser pulses. Here we review major ab initio wave-function-based numerical approaches to simulate multielectron dynamics in atoms and molecules driven by intense long-wavelength and/or ultrashort short-wavelength laser pulses. Direct solution of the time-dependent Schr\\"odinger equation (TDSE), though its applicability is limited to He, ${\\rm H}_2$, and Li, can provide an exact description and has been greatly contributing to the understanding of dynamical electron-electron correlation. Multiconfiguration self-consistent-field (MCSCF) approach offers a flexible framework from which a variety of methods can be derived to treat both atoms and molecules, with possibility to systematically control the accuracy. The equations of motion of configuration interactio...

  6. Non-stoichiometric AB5 alloys for metal hydride electrodes

    DOE Patents [OSTI]

    Reilly, James J. (Bellport, NY); Adzic, Gordana D. (Setauket, NY); Johnson, John R. (Calverton, NY); Vogt, Thomas (Cold Spring Harbor, NY); McBreen, James (Bellport, NY)

    2001-01-01

    The present invention provides a non-stoichiometric alloy comprising a composition having the formula AB.sub.5+X an atomic ratio wherein A is selected from the group consisting of the rare earth metals, yttrium, mischmetal, or a combination thereof; B is nickel and tin, or nickel and tin and at least a third element selected from the group consisting of the elements in group IVA of the periodic table, aluminum, manganese, iron, cobalt, copper, antimony or a combination thereof; X is greater than 0 and less than or equal to about 2.0; and wherein at least one substituted A site is occupied by at least one of the B elements. An electrode incorporating said alloy and an electrochemical cell incorporating said electrode are also described.

  7. Local Structure Analysis in $Ab$ $Initio$ Liquid Water

    E-Print Network [OSTI]

    Santra, Biswajit; Martelli, Fausto; Car, Roberto

    2015-01-01

    Within the framework of density functional theory, the inclusion of exact exchange and non-local van der Waals/dispersion (vdW) interactions is crucial for predicting a microscopic structure of ambient liquid water that quantitatively agrees with experiment. In this work, we have used the local structure index (LSI) order parameter to analyze the local structure in such highly accurate $ab$ $initio$ liquid water. At ambient conditions, the LSI probability distribution, P($I$), was unimodal with most water molecules characterized by more disordered high-density-like local environments. With thermal excitations removed, the resultant bimodal P($I$) in the inherent potential energy surface (IPES) exhibited a 3:1 ratio between high- and low-density-like molecules, with the latter forming small connected clusters amid the predominant population. By considering the spatial correlations and hydrogen bond network topologies $among$ water molecules with the same LSI identities, we demonstrate that the signatures of th...

  8. Treatment of metal-laden hazardous wastes with advanced clean coal technology by-products. Quarterly report, September 30--December 30, 1996

    SciTech Connect (OSTI)

    Cobb, J.T. Jr.; Neufeld, R.D.; Blachere, J.R.; Clifford, B.V.; Pritts, J.; Bender, C.F.

    1997-12-31

    This report describes the activities of the project team during the reporting period. The principal work has focused upon microscopic evaluation of sandblast residue treated with two by-products, completing scholarly work, seeking a subcontractor to replace Mill Service, Inc. (MSI) for the field work of Phase 2, preparing and giving a poster, and making and responding to several outside contacts. The main part of this report is found in an appendix entitled, ``Chemistry and microstructure of sand blast waste and its residue when treated with by-products from clean coal technologies.``

  9. A `Water Spout' Maser Jet in S235AB-MIR

    E-Print Network [OSTI]

    Burns, Ross A; Handa, Toshihiro; Omodaka, Toshihiro; Nakagawa, Akiharu; Nagayama, Takumi; Ueno, Yuji

    2015-01-01

    We report on annual parallax and proper motion observations of H2O masers in S235AB-MIR, which is a massive young stellar object in the Perseus Arm. Using multi-epoch VLBI astrometry we measured a parallax of pi = 0.63 +- 0.03 mas, corresponding to a trigonometric distance of D = 1.56+-0.09 kpc, and source proper motion of ( u alpha cos d , u d) = (0.79 +- 0.12, -2.41 +- 0.14) mas/yr. Water masers trace a jet of diameter 15 au which exhibits a definite radial velocity gradient perpendicular to its axis. 3D maser kinematics were well modelled by a rotating cylinder with physical parameters: v_out = 45+-2 km/s, v_rot = 22+-3 km/s, i = 12+-2 degrees, which are the outflow velocity, tangential rotation velocity and line-of-sight inclination, respectively. One maser feature exhibited steady acceleration which may be related to the jet rotation. During our 15 month VLBI programme there were three `maser burst' events caught `in the act' which were caused by the overlapping of masers along the line of sight.

  10. Mass-related inversion symmetry breaking and phonon self-energy renormalization in isotopically labeled AB-stacked bilayer graphene

    E-Print Network [OSTI]

    Araujo, Paulo Antonio Trinidade

    A mass-related symmetry breaking in isotopically labeled bilayer graphene (2LG) was investigated during in-situ electrochemical charging of AB stacked (AB-2LG) and turbostratic (t-2LG) layers. The overlap of the two ...

  11. E85, Flex-Fuel Vehicles, and AB 1493 Integrating biofuels into California's vehicular greenhouse gas regulations

    E-Print Network [OSTI]

    Kammen, Daniel M.

    E85, Flex-Fuel Vehicles, and AB 1493 Integrating biofuels into California's vehicular greenhouse.................................................................................................. 5 1.1.3 CALIFORNIA CLEAN FUELS PROGRAM ....................................... 6 1.1.5 AB 1007: THE ALTERNATIVE FUELS PLAN

  12. Model for a transformer-coupled toroidal plasma source

    SciTech Connect (OSTI)

    Rauf, Shahid; Balakrishna, Ajit; Chen Zhigang; Collins, Ken [Applied Materials, Inc., 974 E. Arques Avenue, Sunnyvale, California 94085 (United States)

    2012-01-15

    A two-dimensional fluid plasma model for a transformer-coupled toroidal plasma source is described. Ferrites are used in this device to improve the electromagnetic coupling between the primary coils carrying radio frequency (rf) current and a secondary plasma loop. Appropriate components of the Maxwell equations are solved to determine the electromagnetic fields and electron power deposition in the model. The effect of gas flow on species transport is also considered. The model is applied to 1 Torr Ar/NH{sub 3} plasma in this article. Rf electric field lines form a loop in the vacuum chamber and generate a plasma ring. Due to rapid dissociation of NH{sub 3}, NH{sub x}{sup +} ions are more prevalent near the gas inlet and Ar{sup +} ions are the dominant ions farther downstream. NH{sub 3} and its by-products rapidly dissociate into small fragments as the gas flows through the plasma. With increasing source power, NH{sub 3} dissociates more readily and NH{sub x}{sup +} ions are more tightly confined near the gas inlet. Gas flow rate significantly influences the plasma characteristics. With increasing gas flow rate, NH{sub 3} dissociation occurs farther from the gas inlet in regions with higher electron density. Consequently, more NH{sub 4}{sup +} ions are produced and dissociation by-products have higher concentrations near the outlet.

  13. Environmental release of mercury from coal utilization by-products: will new mercury controls at power plants make a difference?

    SciTech Connect (OSTI)

    Aljoe, W.W.; Feeley, T.J., III; Brickett, L.A.; Schroeder, K.T.; Murphy, J.T. [National Energy Technology Laboratory, Pittsburgh, PA (US)

    2005-09-30

    The US Department of Energy's National Energy Technology Laboratory (DOE/NETL) uses the term coal utilization by-products (CUBs) to describe the solid materials produced by the combustion or gasification of coal. The following general observations can be drawn from results of field tests that have been carried out thus far to determine whether new technologies for mercury emission control at coal power plants will affect the release of mercury from CUBs. There appears to be only minimal potential mercury release to the environment in typical disposal or utilization application for CUBs generated using ACI control technologies. There appears to be only minimal mercury release to the environment for CUBs generated using wet FGD control technologies. The amount of mercury leached from CUBs samples tested is significantly lower than the federal drinking water standards and water quality criteria for the protection of aquatic life. 3 figs., 2 tabs.

  14. Management of dry flue gas desulfurization by-products in underground mines. Annual report, October 1994--September 1995

    SciTech Connect (OSTI)

    Chugh, Y.P.; Dutta, D.; Esling, S.

    1995-10-01

    On September 30, 1993, the U.S. Department of Energy-Morgantown Energy Technology Center (DOE-METC) and Southern Illinois University at Carbondale (SIUC) entered into a cooperative research agreement entitled {open_quotes}Management of Dry Flue Gas Desulfurization By-Products in Underground Mines{close_quotes} (DE-FC21-93MC30252). Under the agreement Southern Illinois University at Carbondale will develop and demonstrate several technologies for the placement of coal combustion residues (CCBs) in abandoned coal mines, and will assess the environmental impact of such underground CCB placement. This report describes progress in the following areas: environmental characterization, mix development and geotechnical characterization, material handling and system economics, underground placement, and field demonstration.

  15. D:\\Ms_thesis\\TTS Master's thesis -Optimization.docx Page 1 of 1 TTS Marine AB

    E-Print Network [OSTI]

    Svenningsson, Josef

    D:\\Ms_thesis\\TTS Master's thesis - Optimization.docx Page 1 of 1 TTS Marine AB Tel: +46 31 725 79 Carlsson From: Hamed Shakib Date: 19 January 2015 Subject: Thesis work at TTS Marine AB Pages: 1 The portfolio of TTS Marine AB located in Gothenburg, Sweden encompasses the design and manufacture of Ro

  16. Ab Cats Alg Geom Moduli Derived Cats Triangulated Cats And Back Again Triangulated Categories in Algebraic Geometry

    E-Print Network [OSTI]

    Ghani, Neil

    Ab Cats Alg Geom Moduli Derived Cats Triangulated Cats And Back Again Triangulated Categories in Algebraic Geometry Antony Maciocia May 21, 2010 #12;Ab Cats Alg Geom Moduli Derived Cats Triangulated Cats And Back Again Outline Abelian Categories #12;Ab Cats Alg Geom Moduli Derived Cats Triangulated Cats

  17. Rehabilitation of semi-arid coal mine spoil bank soils with mine residues and farm organic by-products

    SciTech Connect (OSTI)

    Salazar, M.; Bosch-Serra, A.; Estudillos, G.; Poch, R.M. [University of Lleida, Lleida (Spain). Dept. of Environmental & Soil Science

    2009-07-01

    A method of rehabilitating coal mine soils was studied under the conditions of a semi-arid climate, lack of topsoil but availability of farm by-products in NE Spain. The objectives of the research were to assess a new method in order to achieve a suitable substrate for the establishment of native vegetation, to evaluate environmental impacts associated with the reclamation process, and to determine the time necessary to integrate the treated area into the surrounding environment. Eight plots (10 x 35 m{sup 2}) were established in September 1997. Substrate combinations of two types of mine spoil (coal dust and coarse-sized material), two levels of pig slurry (39 and 94 Mg ha{sup -1}dry-wt), and cereal straw (0 and 15 Mg ha{sup -1}) were applied. Monitoring of select physical and chemical soil properties and vegetation characteristics was performed from 1997 until 2005. The bulk density and the saturated hydraulic conductivity measured did not limit plant development and water availability. Initial substrate salinity (1.37 S m{sup -1}) decreased with time and in the long term did not limit plant colonization to salinity-adapted species. Initial nitrate concentration was 298 mg kg{sup -1}, but was reduced significantly to acceptable values in 3 years (55 mg kg{sup -1}) and the measured pH (7.6) was maintained at the level of initial spoil values. Vegetation cover reached up to 90%. In the treated area, spontaneous vegetation cover (15 to 70%) colonized the nonsown areas widely. In the medium term, vegetation cover tended to be higher in plots with a thicker layer of coal dust material and the higher slurry rate. Soil rehabilitation and environmental reintegration, taking into account soil and vegetation indicators, was possible in the studied area with low cost inputs using residual materials from mining activities and animal husbandry by-products.

  18. Treatment of metal-laden hazardous wastes with advanced clean coal technology by-products. Quarterly report, March 30, 1996--June 30, 1996

    SciTech Connect (OSTI)

    Cobb, J.T. Jr.; Neufeld, R.D.; Blachere, J.R. [and others

    1998-04-01

    Progress is described on the use of by-products form clean coal technologies for the treatment of hazardous wastes. During the third quarter of Phase 2, work continued on evaluating Phase 1 samples (including evaluation of a seventh waste), conducting scholarly work, preparing for field work, preparing and delivering presentations, and making additional outside contacts.

  19. Modification of the EIC hydrogen sulfide abatement process to produce valuable by-products. Final report, May 4, 1981-May 4, 1982

    SciTech Connect (OSTI)

    Offenhartz, P. O'D.

    1982-06-01

    A program of analytical and experimental studies has been carried out to develop modifications of the CUPROSUL process for the desulfurization of geothermal steam. The objective of the program was to devise practical means to manipulate the chemistry of the process so that the consumption of raw materials could be controlled and a variety of valuable by-products could be produced. The process had been demonstrated, at one-tenth commercial scale, for steam of the Geysers' average composition in a configuration which resulted in essentially complete oxidation of sulfide to sulfate. The ability to control the extent of oxidation would increase process flexibility and extend its range of applicability to steams of widely varying composition. Preliminary market surveys of raw materials required for the process and by-products which could be produced indicated that controlling the oxidation of sulfides to produce elemental sulfur would probably be the preferred process option. Use of lime to treat sulfate-containing purge streams to produce by-product gypsum and ammonia for recycle or sale could also be justified for certain steam compositions. Recovery of ammonium sulfate alone from the purge stream would not normally be justified unless corecovery of other valuable by-products, such as boric acid, was possible at incremental cost. It was found that ferric sulfate was a highly effective, selective oxidant for the controlled oxidation of copper sulfide solids to produce elemental sulfur for sale and copper sulfate for recycle.

  20. Introduction to Nuclear Waste Management Nuclear Waste is a type of radioactive waste that is usually the by-product of

    E-Print Network [OSTI]

    Auerbach, Scott M.

    that is usually the by-product of a nuclear technology. -Nuclear Technology includes: -Nuclear ReactorsIntroduction to Nuclear Waste Management Nuclear Waste is a type of radioactive waste -Nuclear Medicine Chemicals Nuclear reactors -Radioactive materials are placed in a reactor vessel

  1. Emergence of rotational bands in ab initio no-core configuration interaction calculations

    E-Print Network [OSTI]

    M. A. Caprio; P. Maris; J. P. Vary; R. Smith

    2015-02-04

    Rotational bands have been observed to emerge in ab initio no-core configuration interaction (NCCI) calculations for p-shell nuclei, as evidenced by rotational patterns for excitation energies, electromagnetic moments, and electromagnetic transitions. We investigate the ab initio emergence of nuclear rotation in the Be isotopes, focusing on 9Be for illustration, and make use of basis extrapolation methods to obtain ab initio predictions of rotational band parameters for comparison with experiment. We find robust signatures for rotational motion, which reproduce both qualitative and quantitative features of the experimentally observed bands.

  2. Ab initio studies of niobium defects in uranium

    SciTech Connect (OSTI)

    Xiang, S; Huang, H; Hsiung, L

    2007-06-01

    Uranium (U), with the addition of small amount of niobium (Nb), is stainless. The Nb is fully miscible with the high temperature phase of U and tends to segregate upon cooling below 647 C. The starting point of segregation is the configuration of Nb substitutional or interstitial defects. Using density-functional-theory based ab initio calculations, the authors find that the formation energy of a single vacancy is 1.08 eV, that of Nb substitution is 0.59 eV, that of Nb interstitial at octahedral site is 1.58 eV, and that of Nb interstitial at tetrahedral site is 2.35 eV; all with reference to a reservoir of {gamma} phase U and pure Nb. The formation energy of Nb defects correlates with the local perturbation of electron distribution; higher formation energy to larger perturbation. Based on this study, Nb atoms thermodynamically prefer to occupy substitutional sites in {gamma} phase U, and they prefer to be in individual substitutional defects than clusters.

  3. AB Electronic Tubes and Quasi-Superconductivity at Room Temperature

    E-Print Network [OSTI]

    Alexander Bolonkin

    2008-05-02

    Author offers and researches a new idea - filling tubes by electronic gases. He shows: If the insulating envelope (cover) of the tube is charged positively, the electrons within the tube are not attracted to covering. Tube (as a whole) remains a neutral (uncharged) body. The electron gas in the tube has very low density and very high conductivity, close to superconductivity. If we take the density (pressure) of electron gas as equal to atmospheric pressure, the thickness of insulator film may be very small and the resulting tube is very light. Author shows the offered tubes can be applied to many technical fields. For example: (1) Transfer of energy over very long distance with very small electric losses. (2) Design of cheap high altitude electric lines without masts. (3) Transfer of energy from one continent to another continent through the ionosphere. (4) Transfer of a plasma beam (which can convey thrust and energy) from Earth surface to a space ship. (5) Observation of the sky by telescope without atmospheric hindrances. (6) Dirigibles (air balloons) of the highest lift force. (7) Increasing of gun range severalfold. (8) Transfer of matter. And so on. Key words: AB tubes, electronic tubes, superconductivity, transmission energy.

  4. Local Structure Analysis in $Ab$ $Initio$ Liquid Water

    E-Print Network [OSTI]

    Biswajit Santra; Robert A. DiStasio Jr.; Fausto Martelli; Roberto Car

    2015-02-27

    Within the framework of density functional theory, the inclusion of exact exchange and non-local van der Waals/dispersion (vdW) interactions is crucial for predicting a microscopic structure of ambient liquid water that quantitatively agrees with experiment. In this work, we have used the local structure index (LSI) order parameter to analyze the local structure in such highly accurate $ab$ $initio$ liquid water. At ambient conditions, the LSI probability distribution, P($I$), was unimodal with most water molecules characterized by more disordered high-density-like local environments. With thermal excitations removed, the resultant bimodal P($I$) in the inherent potential energy surface (IPES) exhibited a 3:1 ratio between high- and low-density-like molecules, with the latter forming small connected clusters amid the predominant population. By considering the spatial correlations and hydrogen bond network topologies $among$ water molecules with the same LSI identities, we demonstrate that the signatures of the experimentally observed low- (LDA) and high-density (HDA) amorphous phases of ice are present in the IPES of ambient liquid water. Analysis of the LSI autocorrelation function uncovered a persistence time of $\\sim$ 4 ps---a finding consistent with the fact that natural thermal fluctuations are responsible for transitions between these distinct yet transient local aqueous environments in ambient liquid water.

  5. Quantum Mechanical Inclusion of the Source in the Aharonov-Bohm Effect

    E-Print Network [OSTI]

    Philip Pearle; Anthony Rizzi

    2015-06-30

    The standard treatment of the magnetic Aharonov-Bohm (A-B) effect assumes one can calculate the phase without accounting for the source (solenoid) quantum mechanically. Recently, Vaidman, using a semi-classical calculation, showed that the source may indeed matter. He argued for what might be called a local field hypothesis---the idea that in quantum theory, as in classical physics, only field-producing potentials have physical effects. His calculation indicates that the electron's non-relativistic electric field, acting on a semi-classically treated solenoid, produces the A-B phase shift. Here, employing a model of the solenoid consisting of charged particles, we give a quantum mechanical treatment of their contribution to the phase shift under the influence of the circulating electron's electric field. We show that the phase shift of the field-producing non-relativistic vector potential gives the A-B phase shift, and how this confirms Vaidman's semi-classical prediction of that phase shift. However, we also show that the phase shift of the field-producing relativistic (retarded) scalar potential gives the negative of the A-B phase shift. This cancellation allows one to effectively treat the source as a classical entity as is done in the standard derivation of the A-B effect. We close by remarking that the apparent necessity for relativistic considerations suggests the possibility that the A-B phase shift may yet be explained in terms of field-producing potentials alone, which may vindicate the local field hypothesis.

  6. Radiation source

    DOE Patents [OSTI]

    Thode, Lester E. (Los Alamos, NM)

    1981-01-01

    A device and method for relativistic electron beam heating of a high-density plasma in a small localized region. A relativistic electron beam generator or accelerator produces a high-voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low-density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high-density target plasma which typically comprises DT, DD, or similar thermonuclear gas at a density of 10.sup.17 to 10.sup.20 electrons per cubic centimeter. The target gas is ionized prior to application of the relativistic electron beam by means of a laser or other preionization source to form a plasma. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 MeV, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high-density target plasma causing the relativistic electron beam to efficiently deposit its energy into a small localized region of the high-density plasma target.

  7. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock

    2006-09-11

    One of the greatest societal challenges over the next decade is the production of cheap, renewable energy for the 10 billion people that inhabit the earth. This will require the development of various energy sources which will likely include fuels derived from methane, coal, and biomass and alternatives sources such as solar, wind and nuclear energy. One approach will be to synthesize gasoline and other fuels from simpler hydrocarbons such as CO derived from methane or other U.S. based sources such as coal. Syngas (CO and H{sub 2}) can be readily converted into higher molecular weight hydrocarbons through Fischer-Tropsch synthesis. Fischer-Tropsch (FT) synthesis involves the adsorption and the activation of CO and H{sub 2}, the subsequent propagation steps including hydrogenation and carbon-carbon coupling, followed by chain termination reactions. The current commercial catalysts are supported Co and Co-alloys particles. This project set out with the following objectives in mind: (1) understand the reaction mechanisms that control FT kinetics, (2) predict how the intrinsic metal-adsorbate bond affects the sequence of elementary steps in FT, (3) establish the effects of the reaction environment on catalytic activity and selectivity, (4) construct a first-principles based algorithm that can incorporate the detailed atomic surface structure and simulate the kinetics for the myriad of elementary pathways that make up FT chemistry, and (5) suggest a set of optimal features such as alloy composition and spatial configuration, oxide support, distribution of defect sites. As part of this effort we devoted a significant portion of time to develop an ab initio based kinetic Monte Carlo simulation which can be used to follow FT surface chemistry over different transition metal and alloy surfaces defined by the user. Over the life of this program, we have used theory and have developed and applied stochastic Monte Carlo simulations in order to establish the fundamental catalytic processes that control FT synthesis, thus enabling us to accomplish the first 4 of these objectives. In addition, we were able to begin to suggest the design features of these materials, the final task of the proposed effort. The following report details the specific findings and proposes recommendations. The support from DOE NETL was used to fund a portion of a postdoctoral and a graduate student's salaries. The postdoctoral fellow (Dr. Qingfeng Ge) who was working on this project was hired as an Assistant Professor in chemistry at the Southern Illinois University.

  8. Deviational simulation of phonon transport in graphene ribbons with ab initio scattering

    E-Print Network [OSTI]

    Landon, Colin D.

    We present a deviational Monte Carlo method for solving the Boltzmann-Peierls equation with ab initio 3-phonon scattering, for temporally and spatially dependent thermal transport problems in arbitrary geometries. Phonon ...

  9. Ab Initio Investigation of Ethane Dissociation Using Generalized Transition State Theory Francois Lorant* and Francoise Behar

    E-Print Network [OSTI]

    Goddard III, William A.

    Ab Initio Investigation of Ethane Dissociation Using Generalized Transition State Theory Franc carbon-carbon scission of ethane is investigated by performing quantum mechanical calculations reported in this paper aim to validate this methodology by examining the dissociation of ethane

  10. Molecular modeling of hydrate-clathrates via ab initio, cell potential, and dynamic methods

    E-Print Network [OSTI]

    Anderson, Brian, Ph. D. Massachusetts Institute of Technology

    2005-01-01

    High level ab initio quantum mechanical calculations were used to determine the intermolecular potential energy surface between argon and water, corrected for many- body interactions, to predict monovariant and invariant ...

  11. Hydroxyl and molecular H2O diffusivity in a haploandesitic melt Huaiwei Ni a,b,

    E-Print Network [OSTI]

    Zhang, Youxue

    Hydroxyl and molecular H2O diffusivity in a haploandesitic melt Huaiwei Ni a,b, , Zhengjiu Xu c) rather than hydroxyl group (OH), water diffusivity has been experimentally determined for a variety

  12. Atomistic and ab initio prediction and optimization of thermoelectric and photovoltaic properties

    E-Print Network [OSTI]

    Chan, Maria Kai Yee

    2009-01-01

    The accurate prediction of physical properties in the vast spaces of nanoscale structures and chemical compounds is made increasingly possible through the use of atomistic and ab initio computation. In this thesis we ...

  13. Erratum: "Ab initio computed diabatic potential energy surfaces of OHHCl" J. Chem. Phys. 122, 244325 ,,2005...

    E-Print Network [OSTI]

    Erratum: "Ab initio computed diabatic potential energy surfaces of OH­HCl" J. Chem. Phys. 122, 079902-1 Downloaded 18 Mar 2007 to 131.174.143.43. Redistribution subject to AIP license or copyright

  14. Publisher's Note: "Ab initio potential energy surfaces for NH,,3 -...-NH,,3 -

    E-Print Network [OSTI]

    Publisher's Note: "Ab initio potential energy surfaces for NH,,3 - ...-NH,,3 - ... with analytical.174.143.43. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions #12;

  15. BNL-67857-AB AIRBORNE FORMALDEHYDE MEASUREMENT ON A NOAA WP-3 DURING THE 1999

    E-Print Network [OSTI]

    BNL-67857-AB AIRBORNE FORMALDEHYDE MEASUREMENT ON A NOAA WP-3 DURING THE 1999 SOS SUMMER FIELD, San Francisco, CA, Dec. 15-19, 2000. Atmospheric formaldehyde (HCHO) concentration was determined

  16. Contaminant Sources are Known

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

    Sources are Known Historical contaminant sources from liquid discharges and solid waste management units are known. August 1, 2013 Contaminant source map LANL contaminant...

  17. A KINE-CHEMICAL INVESTIGATION OF THE AB DOR MOVING GROUP 'STREAM'

    SciTech Connect (OSTI)

    Barenfeld, Scott A.; Bubar, Eric J.; Mamajek, Eric E. [University of Rochester, Department of Physics and Astronomy, Rochester, NY 14627-0171 (United States)] [University of Rochester, Department of Physics and Astronomy, Rochester, NY 14627-0171 (United States); Young, Patrick A. [Arizona State University, School of Earth and Space Exploration, Tempe, AZ 85287-1404 (United States)] [Arizona State University, School of Earth and Space Exploration, Tempe, AZ 85287-1404 (United States)

    2013-03-20

    The AB Dor Moving Group consists of a 'nucleus' of {approx}10 stars at d {approx_equal} 20 pc, along with dozens of purported 'stream' members distributed across the sky. We perform a chemical and kinematic analysis of a subsample of AB Dor stream stars to test whether they constitute a physical stellar group. We use the NEMO Galactic kinematic code to investigate the orbits of the stream members, and perform a chemical abundance analysis using high resolution spectra taken with the Magellan Clay 6.5 m telescope. Using a {chi}{sup 2} test with the measured abundances for 10 different elements, we find that only half of the purported AB Dor stream members could possibly constitute a statistically chemically homogeneous sample. Some stream members with three-dimensional velocities were hundreds of parsecs from the AB Dor nucleus {approx}10{sup 8} yr ago, and hence were unlikely to share a common origin. We conclude that the published lists of AB Dor moving group stream members are unlikely to represent the dispersed remnant of a single star formation episode. A subsample of the stream stars appears to be both statistically chemically homogeneous and in the vicinity of the AB Dor nucleus at birth. Their mean metallicity is [Fe/H] = 0.02 {+-} 0.02 dex, which we consider representative for the AB Dor group. Finally, we report a strong lower limit on the age of the AB Dor nucleus of >110 Myr based on the pre-main sequence contraction times for K-type members which have reached the main sequence.

  18. Atmospheric characterization of the hot Jupiter Kepler-13Ab

    SciTech Connect (OSTI)

    Shporer, Avi; O'Rourke, Joseph G.; Knutson, Heather A.; Szabó, Gyula M.; Zhao, Ming; Burrows, Adam; Fortney, Jonathan; Agol, Eric; Cowan, Nicolas B.; Desert, Jean-Michel; Howard, Andrew W.; Isaacson, Howard; Lewis, Nikole K.; Showman, Adam P.; Todorov, Kamen O.

    2014-06-10

    Kepler-13Ab (= KOI-13.01) is a unique transiting hot Jupiter. It is one of very few known short-period planets orbiting a hot A-type star, making it one of the hottest planets currently known. The availability of Kepler data allows us to measure the planet's occultation (secondary eclipse) and phase curve in the optical, which we combine with occultations observed by warm Spitzer at 4.5 ?m and 3.6 ?m and a ground-based occultation observation in the K{sub s} band (2.1 ?m). We derive a day-side hemisphere temperature of 2750 ± 160 K as the effective temperature of a black body showing the same occultation depths. Comparing the occultation depths with one-dimensional planetary atmosphere models suggests the presence of an atmospheric temperature inversion. Our analysis shows evidence for a relatively high geometric albedo, A {sub g} = 0.33{sub ?0.06}{sup +0.04}. While measured with a simplistic method, a high A {sub g} is supported also by the fact that the one-dimensional atmosphere models underestimate the occultation depth in the optical. We use stellar spectra to determine the dilution, in the four wide bands where occultation was measured, due to the visual stellar binary companion 1.''15 ± 0.''05 away. The revised stellar parameters measured using these spectra are combined with other measurements, leading to revised planetary mass and radius estimates of M{sub p} = 4.94-8.09 M {sub J} and R{sub p} = 1.406 ± 0.038 R {sub J}. Finally, we measure a Kepler midoccultation time that is 34.0 ± 6.9 s earlier than expected based on the midtransit time and the delay due to light-travel time and discuss possible scenarios.

  19. Production development and utilization of Zimmer Station wet FGD by-products. Final report. Volume 1, Executive summary

    SciTech Connect (OSTI)

    Smith, Kevin; Beeghly, Joel H.

    2000-11-30

    About 30 electric utility units with a combined total of 15,000 MW utilize magnesium enhanced lime flue gas desulfurization (FGD) systems. A disadvantage of this and other inhibited or natural oxidation wet FGD systems is the capital and operating cost associated with landfill disposal of the calcium sulfite based solids. Fixation to stabilize the solids for compaction in a landfill also consumes fly ash that otherwise may be marketable. This Executive Summary describes efforts to dewater the magnesium hydroxide and gypsum slurries and then process the solids into a more user friendly and higher value form. To eliminate the cost of solids disposal in its first generation Thiosorbic® system, the Dravo Lime Company developed the ThioClear® process that utilizes a magnesium based absorber liquor to remove S02 with minimal suspended solids. Magnesium enhanced lime is added to an oxidized bleed stream of thickener overflow (TOF) to produce magnesium hydroxide [Mg(OH)2] and gypsum (CaS04 • 2H20), as by-products. This process was demonstrated at the 3 to 5 MW closed loop FGD system pilot plant at the Miami Fort Station of Cinergy, near Cincinnati, Ohio with the help of OCDO Grant Agreement CDO/D-91-6. A similar process strictly for'recovery and reuse of Mg(OH)2 began operation at the Zimmer Station of Cinergy in late 1994 that can produce 900 pounds of Mg(OH)2 per hour and 2,600 pounds of gypsum per hour. This by-product plant, called the Zimmer Slipstream Magnesium Hydroxide Recovery Project Demonstration, was conducted with the help of OCDO Grant Agreement CDO/D-921-004. Full scale ThioClear® plants began operating in 1997 at the 130 MW Applied Energy Services plant, in Monaca, PA, and in year 2000 at the 1,330 MW Allegheny Energy Pleasants Station at St. Marys, WV.

  20. Relative Economic Incentives for Hydrogen from Nuclear, Renewable, and Fossil Energy Sources

    SciTech Connect (OSTI)

    Forsberg, Charles W [ORNL] [ORNL; Gorensek, M. B. [Savannah River National Laboratory (SRNL)] [Savannah River National Laboratory (SRNL)

    2007-01-01

    The specific hydrogen market determines the value of hydrogen from different sources. Each hydrogen production technology has its own distinct characteristics. For example, steam reforming of natural gas produces only hydrogen. In contrast, nuclear and solar hydrogen production facilities produce hydrogen together with oxygen as a by-product or co-product. For a user who needs both oxygen and hydrogen, the value of hydrogen from nuclear and solar plants is higher than that from a fossil plant because 'free' oxygen is produced as a by-product. Six factors that impact the relative economics of fossil, nuclear, and solar hydrogen production to the customer are identified: oxygen by-product, avoidance of carbon dioxide emissions, hydrogen transport costs, storage costs, availability of low-cost heat, and institutional factors. These factors imply that different hydrogen production technologies will be competitive in different markets and that the first markets for nuclear and solar hydrogen will be those markets in which they have a unique competitive advantage. These secondary economic factors are described and quantified in terms of dollars per kilogram of hydrogen.

  1. RELATIVE ECONOMIC INCENTIVES FOR HYDROGEN FROM NUCLEAR, RENEWABLE, AND FOSSIL ENERGY SOURCES

    SciTech Connect (OSTI)

    Gorensek, M; Charles W. Forsberg, C

    2008-08-04

    The specific hydrogen market determines the value of hydrogen from different sources. Each hydrogen production technology has its own distinct characteristics. For example, steam reforming of natural gas produces only hydrogen. In contrast, nuclear and solar hydrogen production facilities produce hydrogen together with oxygen as a by-product or co-product. For a user who needs both oxygen and hydrogen, the value of hydrogen from nuclear and solar plants is higher than that from a fossil plant because 'free' oxygen is produced as a by-product. Six factors that impact the relative economics of fossil, nuclear, and solar hydrogen production to the customer are identified: oxygen by-product, avoidance of carbon dioxide emissions, hydrogen transport costs, storage costs, availability of low-cost heat, and institutional factors. These factors imply that different hydrogen production technologies will be competitive in different markets and that the first markets for nuclear and solar hydrogen will be those markets in which they have a unique competitive advantage. These secondary economic factors are described and quantified in terms of dollars per kilogram of hydrogen.

  2. Absorption: an update In the Netherlands, a residential ab-is being incorporated now. As a conse-cepts prove to be economically viable, ab-

    E-Print Network [OSTI]

    Oak Ridge National Laboratory

    . As a conse- cepts prove to be economically viable, ab- sorption heat pump isunder development quence- broad range of applications isenvisioned. significant role in the HVAC industry ina changers. First tests indicate its dustrial applications (8) could emerge . Proc oftheDOE/ORNLHeat Pump

  3. Advanced byproduct recovery: Direct catalytic reduction of sulfur dioxide to elemental sulfur. Fourth quarterly technical progress report

    SciTech Connect (OSTI)

    NONE

    1997-01-01

    The team of Arthur D. Little, Tufts University and Engelhard Corporation are conducting Phase 1 of a four and a half year, two-phase effort to develop and scale-up an advanced byproduct recovery technology that is a direct, single-stage, catalytic process for converting sulfur dioxide to elemental sulfur. This catalytic process reduces SO{sub 2} over a fluorite-type oxide (such as ceria and zirconia). The catalytic activity can be significantly promoted by active transition metals, such as copper. More than 95% elemental sulfur yield, corresponding to almost complete sulfur dioxide conversion, was obtained over a Cu-Ce-O oxide catalyst as part of an on-going DOE-sponsored, University Coal Research Program. This type of mixed metal oxide catalyst has stable activity, high selectivity for sulfur production, and is resistant to water and carbon dioxide poisoning. Tests with CO and CH{sub 4} reducing gases indicate that the catalyst has the potential for flexibility with regard to the composition of the reducing gas, making it attractive for utility use. The performance of the catalyst is consistently good over a range of SO{sub 2} inlet concentration (0.1 to 10%) indicating its flexibility in treating SO{sub 2} tail gases as well as high concentration streams.

  4. Breckinridge Project, initial effort. Report VII, Volume I. Introduction and background. [Storage losses of 28 products and by-products

    SciTech Connect (OSTI)

    none,

    1982-01-01

    The proposed plant site consists of 1594 acres along the Ohio River in Breckinridge County, Kentucky. An option to purchase the site has been secured on behalf of the Breckinridge Project by the Commonwealth of Kentucky Department of Energy. Figure 1 is an area map locating the site with respect to area cities and towns. The nearest communities to the site are the hamlet of Stephensport, Kentucky, about 3-1/2 miles northeast and Cloverport, Kentucky, which is 6 miles to the southwest. The nearest major cities are Owensboro, Kentucky, 45 road miles to the west and Louisville, Kentucky, 65 miles to the northeast. The Breckinridge facility will convert about 23,000 TPD of run-of-mine (ROM) coal into a nominal 50,000 BPD of hydrocarbon liquids including a significant quantity of transportation fuels. Major products refined for marketing include pipeline gas, propane, butane, 105 RONC gasoline reformate, middle distillate and heavy distillate. By-products include sulfur, anhydrous ammonia, and commercial-grade phenol. Care is being taken to minimize the impact of the facility operations on the environment. Water and wastewater treatment systems have been designed to achieve zero discharge. Waste solids will be disposed of in a carefully designed and well-monitored landfill operation. Also, special design features have been included to minimize air emissions.

  5. Using HEM surveys to evaluate disposal of by-product water from CBNG development in the Powder River Basin, Wyoming

    SciTech Connect (OSTI)

    Lipinski, B.A.; Sams, J.I.; Smith, B.D. (USGS, Denver, CO); Harbert, W.P.

    2008-05-01

    Production of methane from thick, extensive coal beds in the Powder River Basin ofWyoming has created water management issues. Since development began in 1997, more than 650 billion liters of water have been produced from approximately 22,000 wells. Infiltration impoundments are used widely to dispose of by-product water from coal bed natural gas (CBNG) production, but their hydrogeologic effects are poorly understood. Helicopter electromagnetic surveys (HEM) were completed in July 2003 and July 2004 to characterize the hydrogeology of an alluvial aquifer along the Powder River. The aquifer is receiving CBNG produced water discharge from infiltration impoundments. HEM data were subjected to Occam’s inversion algorithms to determine the aquifer bulk conductivity, which was then correlated to water salinity using site-specific sampling results. The HEM data provided high-resolution images of salinity levels in the aquifer, a result not attainable using traditional sampling methods. Interpretation of these images reveals clearly the produced water influence on aquifer water quality. Potential shortfalls to this method occur where there is no significant contrast in aquifer salinity and infiltrating produced water salinity and where there might be significant changes in aquifer lithology. Despite these limitations, airborne geophysical methods can provide a broadscale (watershed-scale) tool to evaluate CBNG water disposal, especially in areas where field-based investigations are logistically prohibitive. This research has implications for design and location strategies of future CBNG water surface disposal facilities within the Powder River Basin.

  6. Using HEM surveys to evaluate disposal of by-product water from CBNG development in the Powder River Basin, Wyoming

    SciTech Connect (OSTI)

    Lipinski, Brian A. [Univ. of Pittsburgh, PA (United States); Sams, James I. [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Smith, Bruce D. [U.S. Geological Survey. Denver, CO (United States); Harbert, William [Univ. of Pittsburgh, PA (United States)

    2008-05-01

    Production of methane from thick, extensive coal beds in the Powder River Basin of Wyoming has created water management issues. Since development began in 1997, more than 650 billion liters of water have been produced from approximately 22,000 wells. Infiltration impoundments are used widely to dispose of by-product water from coal bed natural gas (CBNG) production, but their hydrogeologic effects are poorly understood. Helicopter electromagnetic surveys (HEM) were completed in July 2003 and July 2004 to characterize the hydrogeology of an alluvial aquifer along the Powder River. The aquifer is receiving CBNG produced water discharge from infiltration impoundments. HEM data were subjected to Occam's inversion algorithms to determine the aquifer bulk conductivity, which was then correlated to water salinity using site-specific sampling results. The HEM data provided high-resolution images of salinity levels in the aquifer, a result not attainable using traditional sampling methods. Interpretation of these images reveals clearly the produced water influence on aquifer water quality. Potential shortfalls to this method occur where there is no significant contrast in aquifer salinity and infiltrating produced water salinity and where there might be significant changes in aquifer lithology. Despite these limitations, airborne geophysical methods can provide a broadscale (watershed-scale) tool to evaluate CBNG water disposal, especially in areas where field-based investigations are logistically prohibitive. This research has implications for design and location strategies of future CBNG water surface disposal facilities within the Powder River Basin.

  7. Refinery Integration of By-Products from Coal-Derived Jet Fuels

    SciTech Connect (OSTI)

    Caroline Clifford; Andre Boehman; Chunshan Song; Bruce Miller; Gareth Mitchell

    2008-03-31

    The final report summarizes the accomplishments toward project goals during length of the project. The goal of this project was to integrate coal into a refinery in order to produce coal-based jet fuel, with the major goal to examine the products other than jet fuel. These products are in the gasoline, diesel and fuel oil range and result from coal-based jet fuel production from an Air Force funded program. The main goal of Task 1 was the production of coal-based jet fuel and other products that would need to be utilized in other fuels or for non-fuel sources, using known refining technology. The gasoline, diesel fuel, and fuel oil were tested in other aspects of the project. Light cycle oil (LCO) and refined chemical oil (RCO) were blended, hydrotreated to removed sulfur, and hydrogenated, then fractionated in the original production of jet fuel. Two main approaches, taken during the project period, varied where the fractionation took place, in order to preserve the life of catalysts used, which includes (1) fractionation of the hydrotreated blend to remove sulfur and nitrogen, followed by a hydrogenation step of the lighter fraction, and (2) fractionation of the LCO and RCO before any hydrotreatment. Task 2 involved assessment of the impact of refinery integration of JP-900 production on gasoline and diesel fuel. Fuel properties, ignition characteristics and engine combustion of model fuels and fuel samples from pilot-scale production runs were characterized. The model fuels used to represent the coal-based fuel streams were blended into full-boiling range fuels to simulate the mixing of fuel streams within the refinery to create potential 'finished' fuels. The representative compounds of the coal-based gasoline were cyclohexane and methyl cyclohexane, and for the coal-base diesel fuel they were fluorine and phenanthrene. Both the octane number (ON) of the coal-based gasoline and the cetane number (CN) of the coal-based diesel were low, relative to commercial fuels ({approx}60 ON for coal-based gasoline and {approx}20 CN for coal-based diesel fuel). Therefore, the allowable range of blending levels was studied where the blend would achieve acceptable performance. However, in both cases of the coal-based fuels, their ignition characteristics may make them ideal fuels for advanced combustion strategies where lower ON and CN are desirable. Task 3 was designed to develop new approaches for producing ultra clean fuels and value-added chemicals from refinery streams involving coal as a part of the feedstock. It consisted of the following three parts: (1) desulfurization and denitrogenation which involves both new adsorption approach for selective removal of nitrogen and sulfur and new catalysts for more effective hydrotreating and the combination of adsorption denitrogenation with hydrodesulfurization; (2) saturation of two-ring aromatics that included new design of sulfur resistant noble-metal catalysts for hydrogenation of naphthalene and tetralin in middle distillate fuels, and (3) value-added chemicals from naphthalene and biphenyl, which aimed at developing value-added organic chemicals from refinery streams such as 2,6-dimethylnaphthalene and 4,4{prime}-dimethylbiphenyl as precursors to advanced polymer materials. Major advances were achieved in this project in designing the catalysts and sorbent materials, and in developing fundamental understanding. The objective of Task 4 was to evaluate the effect of introducing coal into an existing petroleum refinery on the fuel oil product, specifically trace element emissions. Activities performed to accomplish this objective included analyzing two petroleum-based commercial heavy fuel oils (i.e., No. 6 fuel oils) as baseline fuels and three co-processed fuel oils, characterizing the atomization performance of a No. 6 fuel oil, measuring the combustion performance and emissions of the five fuels, specifically major, minor, and trace elements when fired in a watertube boiler designed for natural gas/fuel oil, and determining the boiler performance when firing the five fuels. Two

  8. Preliminary evaluation of the use of the greater confinement disposal concept for the disposal of Fernald 11e(2) byproduct material at the Nevada Test Site

    SciTech Connect (OSTI)

    Cochran, J.R.; Brown, T.J.; Stockman, H.W.; Gallegos, D.P.; Conrad, S.H.; Price, L.L.

    1997-09-01

    This report documents a preliminary evaluation of the ability of the greater confinement disposal boreholes at the Nevada Test Site to provide long-term isolation of radionuclides from the disposal of vitrified byproduct material. The byproduct material is essentially concentrated residue from processing uranium ore that contains a complex mixture of radionuclides, many of which are long-lived and present in concentrations greater than 100,000 picoCuries per gram. This material has been stored in three silos at the fernald Environmental Management Project since the early 1950s and will be vitrified into 6,000 yd{sup 3} (4,580 m{sup 3}) of glass gems prior to disposal. This report documents Sandia National Laboratories` preliminary evaluation for disposal of the byproduct material and includes: the selection of quantitative performance objectives; a conceptual model of the disposal system and the waste; results of the modeling; identified issues, and activities necessary to complete a full performance assessment.

  9. Treatment of metal-laden hazardous wastes with advanced clean coal technology by-products. Quarterly report, November 1994--February 1995

    SciTech Connect (OSTI)

    1995-03-01

    This second quarterly report describes work during the second three months of the University of Pittsburgh`s (Pitt`s) project on the {open_quotes}Treatment of Metal-Laden Hazardous Wastes with Advanced Clean Coal Technology By-Products.{close_quotes} Participating with Pitt on this project are Dravo Lime Company (DLC), Mill Service, Inc. (MSI) and the Center for Hazardous Materials Research (CHMR). The report describes the activities of the project team during the reporting period. The principal work has focussed upon the acquisition of by-product samples and their initial analysis. Other efforts during the second quarter have been directed toward identifying the first hazardous waste samples and preparing for their treatment and analysis. Relatively little data has yet been collected. Major presentation of technical details and data will appear for the first time in the third quarterly report. The activity on the project during the second quarter of Phase One, as presented in the following sections, has fallen into seven areas: (1) Acquiring by-products, (2) Analyzing by-products, (3) Identifying, analyzing and treating suitable hazardous wastes, (4) Carrying out the quality assurance/quality control program, (5) Developing background, and (6) Initiating public relations

  10. AB Blanket for Cities (for continual pleasant weather and protection from chemical, biological and radioactive weapons)

    E-Print Network [OSTI]

    Alexander Bolonkin

    2009-02-04

    In a series of previous articles (see references) the author offered to cover a city or other important large installations or subregions by a transparent thin film supported by a small additional air overpressure under the form of an AB Dome. The building of a gigantic inflatable AB Dome over an empty flat surface is not difficult. However, if we want to cover a city, garden, forest or other obstacle course we cannot easily deploy the thin film over building or trees. In this article is suggested a new method which solves this problem. The idea is to design a double film blanket filled by light gas (for example, methane, hydrogen, or helium). Sections of this AB Blanket are lighter then air and fly in atmosphere. They can be made on a flat area (serving as an assembly area) and delivered by dirigible or helicopter to station at altitude over the city. Here they connect to the already assembled AB Blanket subassemblies, cover the city in an AB Dome and protect it from bad weather, chemical, biological and radioactive fallout or particulates. After finish of dome building the light gas can be changed by air. Two projects for Manhattan (NY, USA) and Moscow (Russia) are targets for a sample computation.

  11. A VUV Photoionization and Ab Initio Determination of the Ionization Energy of a Gas Phase Sugar (Deoxyribose).

    E-Print Network [OSTI]

    Ghosh, Debashree

    2012-01-01

    electronic structure calculations of vertical and adiabatic ionization energies. Ab initio molecular dynamics (dynamics snapshots along the reaction coordinate. Keywords: sugars, synchrotron radiation, electronic structure calculations,

  12. Advanced byproduct recovery: Direct catalytic reduction of sulfur dioxide to elemental sulfur. Quarterly report, April 1--June 30, 1997

    SciTech Connect (OSTI)

    NONE

    1997-12-31

    The team of Arthur D. Little, Tufts University and Engelhard Corporation are conducting Phase 1 of a four and a half year, two-phase effort to develop and scale-up an advanced byproduct recovery technology that is a direct, single-stage, catalytic process for converting sulfur dioxide to elemental sulfur. This catalytic process reduces SO{sub 2} over a fluorite-type oxide (such as ceria and zirconia). The catalytic activity can be significantly promoted by active transition metals, such as copper. More than 95% elemental sulfur yield, corresponding to almost complete sulfur dioxide conversion, was obtained over a Cu-Ce-O oxide catalyst as part of an on-going DOE-sponsored, University Coal Research Program. This type of mixed metal oxide catalyst has stable activity, high selectivity for sulfur production, and is resistant to water and carbon dioxide poisoning. Tests with CO and CH{sub 4} reducing gases indicate that the catalyst has the potential for flexibility with regard to the composition of the reducing gas, making it attractive for utility use. The performance of the catalyst is consistently good over a range of SO{sub 2} inlet concentration (0.1 to 10%) indicating its flexibility in treating SO{sub 2} tail gases as well as high concentration streams. The principal objective of the Phase 1 program is to identify and evaluate the performance of a catalyst which is robust and flexible with regard to choice of reducing gas. In order to achieve this goal, the authors have planned a structured program including: Market/process/cost/evaluation; Lab-scale catalyst preparation/optimization studies; Lab-scale, bulk/supported catalyst kinetic studies; Bench-scale catalyst/process studies; and Utility review. Progress is reported from all three organizations.

  13. Optical photometry of the eclipsing Large Magellanic Cloud supersoft source CAL 87

    E-Print Network [OSTI]

    C. Alcock

    1997-02-13

    We present optical photometry of the eclipsing supersoft source, CAL87. These observations comprise long term data accumulated as a by-product of the MACHO Project, and high speed white light photometry of a single eclipse. We (i) derive an improved ephemeris of To = HJD 2450111.5144(3) + 0.44267714(6)E for the time of minimum light, (ii) find the eclipse structure to be stable over a period of 4 years, and (iii) investigate the colour variation as a function of orbital phase. The resolution afforded by the high speed nature of the white light observations enables us to see new structure in the light curve morphology.

  14. Lithium ion sources

    E-Print Network [OSTI]

    Roy, Prabir K.

    2014-01-01

    HIFAN 1866 Lithium ion sources by Prabir K. Roy, Wayne G.No. DE-AC02-05CH11231. Lithium ion sources Prabir K. Roya source of ?100 mA lithium ion current for the Neutralized

  15. AB 2188: Implementation of the California Solar Rights Act at the Local Level

    Broader source: Energy.gov [DOE]

    This document is intended to provide guidance for implementing the Solar Permitting Efficiency Act (AB 2188), which was enacted in California in 2015, in substantial conformance with the California Solar Permitting Guidebook. This document also includes a stand-alone model ordinance that complies with the requirements of the Solar Rights Act, as amended. The sections of this document are organized to first provide the reader with the statutory requirements of AB 2188 and the existing requirements of the Solar Rights Act, followed by the recommendations from the California Solar Permitting Guidebook for substantial conformance with regard to the permitting requirements for local permitting processes.

  16. Electrolytes for power sources

    DOE Patents [OSTI]

    Doddapaneni, N.; Ingersoll, D.

    1995-01-03

    Electrolytes are disclosed for power sources, particularly alkaline and acidic power sources, comprising benzene polysulfonic acids and benzene polyphosphonic acids or salts of such acids. 7 figures.

  17. Electrolytes for power sources

    DOE Patents [OSTI]

    Doddapaneni, Narayan (Albuquerque, NM); Ingersoll, David (Albuquerque, NM)

    1995-01-01

    Electrolytes for power sources, particularly alkaline and acidic power sources, comprising benzene polysulfonic acids and benzene polyphosphonic acids or salts of such acids.

  18. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    from the University of Wisconsin, Madison. INTRODUCTION Increasing cost of construction has-situ concrete strength can reduce construction time and cost by efficient movement of forms. Furthermore it also Milwaukee, WI 53201 Synopsis: The maturity method computes maturity of the concrete as an index to predict

  19. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    ­ Milwaukee, Milwaukee, WI and Ronald H. Carty Director Illinois Clean Coal Institute Carterville, IL ABSTRACT, Naik and Singh [16] summarized various applications of fly ash generated from conventional and clean coal technologies. Uses of coal combustion by- products can be categorized into three classes: high-volum

  20. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    -Products Utilization E-mail: ymchun@uwm.edu and F. D. Botha Project Manager, Illinois Clean Coal Institute 5776 Coal, University of Wisconsin-Milwaukee, Milwaukee, WI, USA. 4 Project Manager, Illinois Clean Coal Institute

  1. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    .4 April 2000 A Mid-Year Project Management Report Issued to the Illinois Clean Coal Institute for Project for evaluation. Clean coal fly ash was obtained from Southern Illinois University and a wet collected Class F fly and Quarters Cumulative$ Cumulative Project Budget Total Illinois Clean Coal Institute Award $ 86,095 Estimated

  2. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    -Milwaukee, P.O. Box 784, Milwaukee, WI 53201 d Project Manager, Illinois Clean Coal Institute * Director UWM products containing clean coal ash compared to conventional coal ash. Utilization of clean coal ash is much products that utilize clean coal ash. With increasing federal regulations on power plant emissions, finding

  3. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    to remove any residual ammonia contained in the fly ash from advanced NOx reduction systems ash, and presented challenges for many of it's conventional uses. For example, low NOx burner systems such as Selective Catalytic Reduction (SCR), Selective Non-Catalytic Reduction (SNCR), and Amine Enhanced Fuel Lean

  4. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    Convention, Vancouver, British Columbia, Canada, April 1, 2003. Department of Civil Engineering and Mechanics 53201, Ph: (414) 229-6696, Fax: (414) 229-6958, e-mail: tarun@uwm.edu 2 Research Assistant, UWM Center of cellulose fibers and papermaking fillers (kaolinitic clay, calcium carbonate, and/or titanium dioxide

  5. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    -28 REP-482 November 2002 Final Technical Report Issued to the Illinois Clean Coal Institute For Project

  6. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    -19 REP-443 November 2001 Final Technical Report Issued to the Illinois Clean Coal Institute For Project

  7. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    with the combination of Class C fly ash and clean coal ash. Two percent to four percent sodium sulfate anhydrite

  8. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    , hexane and performance enhancing additives. A brief description of various petroleum hydrocarbon classes and performance-enhancing additives for its use as a fuel. The petroleum compounds are categorized as either, hexane and octane. Aromatic compounds are composed of carbon molecular ring structures. These compounds

  9. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    technologies. A clean-coal ash is defined as the ash derived from SOxand NOxcontrol technologies, and FBC that obtained from clean-coal technology, are not utilized in cast-concrete masonry products (bricks, blocks conventional and clean-coal technologies. Fifteen high-sulfur coal ash samples were obtained from eight

  10. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    is defined as the ash derived from thermal power plants using clean-coal technologies such as SO2 Control of Wisconsin-Milwaukee, P.O. Box 784, Milwaukee, WI 53201. 4 Project Manager, Illinois Clean Coal Institute Systems, NOx Control Technology, Fluidized Bed Combustion, and Gasification Combined Cycle for reducing

  11. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    clean-coal technologies such as SO2 Control Systems, NOx Control Technology, Fluidized Bed Combustion Project Manager, Illinois Clean Coal Institute, 5776 Coal Drive, Suite 200, Carterville, IL 62918-sulfur coal. Ponded ash is usually a mixture of fly ash and bottom ash or boiler slag. Concrete was made

  12. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    after combustion of coal in conventional and advanced clean-coal technology combustors. These include and advanced clean-coal technology combustors. Although 560 million tonnes (Mt) of fly ash, bottom ash use either pulverized-coal-fired furnaces, cyclone furnaces, or advanced clean-coal technology

  13. By-Products Utilization

    E-Print Network [OSTI]

    Wisconsin-Milwaukee, University of

    combustion of coal in conventional and advanced clean-coal technology combustors. These include fly ash clean-coal technology combustors. Although 560 million tonnes (Mt) of fly ash, bottom ash, and boiler furnaces, or advanced clean-coal technology furnaces. The ash collected from pulverized-coal-fired furnaces

  14. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

    Paul Ziemkiewicz; Tamara Vandivort; Debra Pflughoeft-Hassett; Y. Paul Chugh; James Hower

    2008-08-31

    The overall objective of this research effort was to provide a potentially commercial thermal treatment of fly ash to decrease the interaction between fly ash and the surfactants used to entrain air in concrete when fly ash replaces a portion of the Portland cement in oncrete. The thermal treatment resulting from this research effort, and described in this report, fulfill the above objective. This report describes the thermal treatment developed and applies the treatment to six different fly ashes subsequently used to prepare concrete test cylinders hat show little or no difference in compressibility when compared to concrete test cylinders prepared using untreated fly ash.

  15. Ab initio calculations of off-diagonal hyperfine interaction in cesium A. Derevianko, M. S. Safronova, and W. R. Johnson

    E-Print Network [OSTI]

    Johnson, Walter R.

    Ab initio calculations of off-diagonal hyperfine interaction in cesium A. Derevianko, M. S interaction mixing amplitude Mhf for the 6s-7s transition in atomic cesium. The ab initio result Mhf 0 lev- els F and F of 6s and 7s states in cesium can be repre- sented as AM1 M F F Mhf . The first term

  16. Fully ab initio atomization energy of benzene via Weizmann-2 theory Srinivasan Parthiban and Jan M. L. Martina)

    E-Print Network [OSTI]

    Martin, Jan M.L.

    Fully ab initio atomization energy of benzene via Weizmann-2 theory Srinivasan Parthiban and Jan M at absolute zero, (TAE0) of benzene, C6H6, was computed fully ab initio by means of W2h theory as 1306.6 kcal for systems the size of benzene, chemically accurate molecular atomization energies can be obtained from fully

  17. Greatwall-phosphorylated Endosulfine is Both an Inhibitor and a Substrate of PP2A-B55 Heterotrimers

    E-Print Network [OSTI]

    Byron C. Williams; Joshua J. Filter; Kristina A. Blake-Hodek; Brian E. Wadzinski; Nicholas J. Fuda; David Shalloway; Michael L. Goldberg

    2014-02-17

    During M phase, Endosulfine (Endos) family proteins are phosphorylated by Greatwall kinase (Gwl), and the resultant pEndos inhibits the phosphatase PP2A-B55, which would otherwise prematurely reverse many CDK-driven phosphorylations. We show here that PP2A-B55 is the enzyme responsible for dephosphorylating pEndos during M phase exit. The kinetic parameters for PP2A-B55's action on pEndos are orders of magnitude lower than those for CDK-phosphorylated substrates, suggesting a simple model for PP2A-B55 regulation that we call inhibition by unfair competition. As the name suggests, during M phase PP2A-B55's attention is diverted to pEndos, which binds much more avidly and is dephosphorylated more slowly than other substrates. When Gwl is inactivated during the M phase-to-interphase transition, the dynamic balance changes: pEndos dephosphorylated by PP2A-B55 cannot be replaced, so the phosphatase can refocus its attention on CDK-phosphorylated substrates. This mechanism explains simultaneously how PP2A-B55 and Gwl together regulate pEndos, and how pEndos controls PP2A-B55.

  18. Energy of the quasi-free electron in argon, krypton and xenon Xianbo Shi a,b

    E-Print Network [OSTI]

    Findley, Gary L.

    Energy of the quasi-free electron in argon, krypton and xenon Xianbo Shi a,b , Luxi Li a,b , C. M ionization of the dopant, and (iii) the kinetic energy of the quasi-free electron. The polarization terms are determined by a standard statistical mechanical treatment. However, the kinetic energy of the quasi-free

  19. Ab initio studies of Nanoparticle Photovoltaics: MEG, Exotic core phases & Complementary transport

    E-Print Network [OSTI]

    Ab initio studies of Nanoparticle Photovoltaics: MEG, Exotic core phases & Complementary transport. Kaxiras (Harvard) A. Gali D. Rocca M. Voros S. Wippermann I. Carbone G. Zimanyi (UC Davis) #12;Solar phonons phonons #12;Solar Energy Conversion: Relaxation by excitons 3 E DOS Keep energy of high energy

  20. Cationic fluorinated polymer binders for microbial fuel cell cathodes{ Guang Chen,ab

    E-Print Network [OSTI]

    or carbons) in the cathode is held in contact with the current collector using a polymer binder.12Cationic fluorinated polymer binders for microbial fuel cell cathodes{ Guang Chen,ab Bin Wei.1039/c2ra20705b Fluorinated quaternary ammonium-containing polymers were used as catalyst binders

  1. Coral reef evolution on rapidly subsiding margins Jody M. Webster a,b,

    E-Print Network [OSTI]

    Riding, Robert

    Coral reef evolution on rapidly subsiding margins Jody M. Webster a,b, , Juan Carlos Braga d regions have experienced rapid subsidence (2­6 m/ka) over the last 500 ka. Rapid subsidence, combined sea-level changes, subsidence rates, accretion rates, basement substrates, and paleobathymetry

  2. Ab Initio Studies of Vacancy-Defected Fullerenes and Single-Walled Carbon

    E-Print Network [OSTI]

    Wang, Yan Alexander

    over the world have been attracted to the research field of fullerenes and carbon nanotubes. Such nanoAb Initio Studies of Vacancy-Defected Fullerenes and Single-Walled Carbon Nanotubes LEI VINCENT LIU,1 WEI QUAN TIAN,2 YAN ALEXANDER WANG1 1 Department of Chemistry, University of British Columbia

  3. Biogenic emissions from Citrus species in California Silvano Fares a,b,*, Drew R. Gentner c

    E-Print Network [OSTI]

    Goldstein, Allen

    Biogenic emissions from Citrus species in California Silvano Fares a,b,*, Drew R. Gentner c , Jeong May 2011 Accepted 26 May 2011 Keywords: BVOC emissions OVOC Terpene Basal emission rate Citrus a b such as the Central Valley of California. Moreover, the BVOC emissions from Citrus species have not been characterized

  4. A=B: The Case for CAS and Research in High School Mathematics by Justin Burner

    E-Print Network [OSTI]

    Yong, Alexander

    A=B: The Case for CAS and Research in High School Mathematics by Justin Burner Having excelled. The implementation of these devices, however, has been overall lackluster. #12;Burner 2 These devices are primarily does that #12;Burner 3 actually do that?' " [Young 2009]. A basic understanding of computer languages

  5. FMCW radars for snow research Hans-Peter Marshall a,b,, Gary Koh a

    E-Print Network [OSTI]

    Marshall, Hans-Peter

    FMCW radars for snow research Hans-Peter Marshall a,b,, Gary Koh a a Cold Regions Research; accepted 16 April 2007 Abstract Frequency Modulated Continuous Wave (FMCW) radars have been used by snow measurements, as properties such as snow depth can be measured quickly and non- destructively. Recent advances

  6. Ab initio simulations of dense liquid deuterium: Comparison with gas gun shock wave experiments

    E-Print Network [OSTI]

    Militzer, Burkhard

    Ab initio simulations of dense liquid deuterium: Comparison with gas gun shock wave experiments functional calculations leading to excellent agreement with gas gun shock wave measurements, which have As a result of this discrep- ancy, considerable attention is now being paid to older gas gun shock wave

  7. Osmotically induced deformation of capsid-like icosahedral vesicles Gaelle Bealle,ab

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Osmotically induced deformation of capsid-like icosahedral vesicles Gaelle Bealle,ab Jacques We report the osmotic deformation of micron-size catanionic vesicles with icosahedral symmetry (20 at low osmotic pressure gradients across the bilayer, or spherical for outwards gradients. Above

  8. Method for the separation of high impact polystyrene (HIPS) and acrylonitrile butadiene styrene (ABS) plastics

    DOE Patents [OSTI]

    Jody, Bassam J. (Chicago, IL); Arman, Bayram (Amherst, NY); Karvelas, Dimitrios E. (Downers Grove, IL); Pomykala, Jr., Joseph A. (Crest Hill, IL); Daniels, Edward J. (Oak Lawn, IL)

    1997-01-01

    An improved method is provided for separating acrylonitrile butadiene styrene (ABS) and high impact polystyrene (HIPS) plastics from each other. The ABS and HIPS plastics are shredded to provide a selected particle size. The shredded particles of the ABS and HIPS plastics are applied to a solution having a solution density in a predefined range between 1.055 gm/cm.sup.3 and 1.07 gm/cm.sup.3, a predefined surface tension in a range between 22 dynes/cm to 40 dynes/cm and a pH in the range of 1.77 and 2.05. In accordance with a feature of the invention, the novel method is provided for separating ABS and HIPS, two solid thermoplastics which have similar densities by selectively modifying the effective density of the HIPS using a binary solution with the appropriate properties, such as pH, density and surface tension, such as a solution of acetic acid and water or a quaternary solution having the appropriate density, surface tension, and pH.

  9. COMMUNICATION Proteins with Class a/b Fold Have High-level

    E-Print Network [OSTI]

    Gough, Julian

    COMMUNICATION Proteins with Class a/b Fold Have High-level Participation in Fusion Events Sujun Hua association of the component proteins. Here, we took a new approach to the analysis of the structural features of the proteins involved in fusion events. An exhaustive survey of fusion events within 30 completely sequenced

  10. KN/ab 12/09 HUNTER COLLEGE OF THE CITY UNIVERSITY OF NEW YORK

    E-Print Network [OSTI]

    Qiu, Weigang

    KN/ab 12/09 HUNTER COLLEGE OF THE CITY UNIVERSITY OF NEW YORK MASTER OF SCIENCE IN NURSING PROGRAM of card) 5. BCLS Certification 6. Malpractice Insurance ($1,000,000/$3,000,000 Minimum Requirement) 7. New York State RN License and Current Registration 8. Additional Requirements of Affiliating Agencies 9

  11. Intelligent Market-Making in Artificial Financial A.B. Computer Science

    E-Print Network [OSTI]

    Poggio, Tomaso

    Intelligent Market-Making in Artificial Financial Markets by Sanmay Das A.B. Computer Science by . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Arthur C. Smith Chairman, Department Committee on Graduate Students #12;2 #12;Intelligent Market-Making in Artificial Financial Markets by Sanmay Das Submitted to the Department of Electrical Engineering and Computer

  12. Atmospheric plasma deposition of diamond-like carbon coatings Angela M. Ladwig a,b,

    E-Print Network [OSTI]

    Hicks, Robert F.

    include ion beam deposition, cathodic arc spray, pulsed laser ablation, argon ion sputtering, and plasmaAtmospheric plasma deposition of diamond-like carbon coatings Angela M. Ladwig a,b, , Ronald D Available online xxxx Keywords: Atmospheric pressure plasma Diamond-like carbon deposition DLC PECVD

  13. A direct ab inifio dynamics approach for calculating thermal rate constants using variational transition state theory

    E-Print Network [OSTI]

    Truong, Thanh N.

    of a focusing technique to minimize the number of electronic structure calculations, while still preservingA direct ab inifio dynamics approach for calculating thermal rate constants using variational dynamics, " for calculations of thermal rate constants and related properties from first principles

  14. A microfluidic microbial fuel cell fabricated by soft lithography Fang Qian a,b,

    E-Print Network [OSTI]

    A microfluidic microbial fuel cell fabricated by soft lithography Fang Qian a,b, , Zhen He c microfluidic microbial fuel cell (MFC) platform built by soft-lithography tech- niques. The MFC design includes a unique sub-5 lL polydimethylsiloxane soft chamber featuring carbon cloth electrodes and microfluidic

  15. Microfluidic capture and release of bacteria in a conical nanopore array Peng Guo,ab

    E-Print Network [OSTI]

    Zare, Richard N.

    Microfluidic capture and release of bacteria in a conical nanopore array Peng Guo,ab Eric W. Hall a microfluidic device. As an example, we demonstrate that cyanobacteria can be captured, one bacterium per pore, in a conical nanoporous membrane (CNM) integrated into a microfluidic chip. This study, to our knowledge

  16. Microfluidic arrays for logarithmically perfused embryonic stem cell Lily Kim,ab

    E-Print Network [OSTI]

    Voldman, Joel

    Microfluidic arrays for logarithmically perfused embryonic stem cell culture Lily Kim,ab Michael D published as an Advance Article on the web 19th January 2006 DOI: 10.1039/b511718f We present a microfluidic there has been increasing interest in culturing cells in perfused microfluidic environments. In conventional

  17. Vegetation patterns along a rainfall gradient Ehud Meron a,b,*, Erez Gilad b,a

    E-Print Network [OSTI]

    Meron, Ehud

    Hardenberg c , Moshe Shachak d , Yair Zarmi a,b a Department of Solar Energy and Environmental Physics, BIDR author. Address: Department of Solar Energy and Environmental Physics, BIDR, Ben-Gurion University, Sede feedback between biomass (amount of plant matter) and soil water [16]. The more soil water the faster

  18. Hydrogen bonding in solid ammonia from ab initio calculations A. D. Fortes,a)

    E-Print Network [OSTI]

    Vocadlo, Lidunka

    Hydrogen bonding in solid ammonia from ab initio calculations A. D. Fortes,a) J. P. Brodholt, I. G the tendency toward symmetrization of the hydrogen bonds at high pressures and find that, unlike pure ice that ammonia IV does not contain a bifurcated hydrogen bond, as has previously been suggested. © 2003 American

  19. Ab initio study of charge transfer in low energy Si 2+ collisions with atomic hydrogen

    E-Print Network [OSTI]

    Stancil, Phillip C.

    Ab initio study of charge transfer in low energy Si 2+ collisions with atomic hydrogen N J Clarkey Si 2+ (3s 2 1 S) and excited state Si 2+ (3s3p 3 P o ) with atomic hydrogen are presented for energies less than 100 eV amu \\Gamma1 . The cross sections are calculated in a diabatic representation

  20. Ab initio study of charge transfer in B 2+ low-energy collisions with atomic hydrogen

    E-Print Network [OSTI]

    Stancil, Phillip C.

    Ab initio study of charge transfer in B 2+ low-energy collisions with atomic hydrogen A. R. Turner due to collisions of ground state B 2+ (2s 2 S) ions with atomic hydrogen are investigated using coupling are small (energy: for collision

  1. Electrical conductivity of wadsleyite at high temperatures and high pressures Lidong Dai a,b

    E-Print Network [OSTI]

    Electrical conductivity of wadsleyite at high temperatures and high pressures Lidong Dai a,b , Shun 2009 Editor: L. Stixrude Keywords: electrical conductivity wadsleyite oxygen fugacity frequency water The electrical conductivity of wadsleyite aggregates has been determined under the broad range of thermodynamic

  2. Synthesis of High-Performance Parallel Programs for a Class of Ab Initio Quantum

    E-Print Network [OSTI]

    Baumgartner, Gerald

    Synthesis of High-Performance Parallel Programs for a Class of Ab Initio Quantum Chemistry Models SIBIRYAKOV Invited Paper This paper provides an overview of a program synthesis system for a class of quantum; revised October 15, 2004. This work was supported in part by the National Science Founda- tion under

  3. NVLAP ASSESSOR BULLETIN AB-10-2010 PAGE 1 OF 1 DEPARTMENT OF COMMERCE

    E-Print Network [OSTI]

    that calibrations and measurements made by the laboratory are traceable to the International System of Units (SI ASSESSOR BULLETIN NUMBER: AB-10-2010 LAP: All SUBJECT: Assessment of Requirements for Measurement. The purpose of this bulletin is to remind assessors of issues related to assuring measurement traceability

  4. Biocontrol of plant disease: a (Gram-) positive perspective Elizabeth A.B. Emmert Y

    E-Print Network [OSTI]

    Handelsman, Jo

    to the downfall of a biocontrol agent. Knowledge of the biological environment in which the agent will be used utilizing Gram-positive biocontrol agents that have been researched in depth and provide modelsMiniReview Biocontrol of plant disease: a (Gram-) positive perspective Elizabeth A.B. Emmert Y , Jo

  5. Polymeric semiconductor/graphene hybrid field-effect transistors Jia Huang a,b,

    E-Print Network [OSTI]

    Polymeric semiconductor/graphene hybrid field-effect transistors Jia Huang a,b, , Daniel R. Hines semiconductor Graphene Thin film transistor Hybrid material a b s t r a c t Solution processed organic field semiconductors and graphene. Compared against OFETs with only pure organic semiconductors, our hybrid FETs

  6. Perovskite Quantum Dots Modeled Using ab Initio and Replica Exchange Molecular Dynamics

    E-Print Network [OSTI]

    Sargent, Edward H. "Ted"

    Perovskite Quantum Dots Modeled Using ab Initio and Replica Exchange Molecular Dynamics Andrei Buin halide perovskites have recently attracted tremen- dous attention at both the experimental. Here we investigate perovskite quantum dots from theory, predicting an upper bound of the Bohr radius

  7. Statistical analysis of wind energy in Chile David Watts a,b,*, Danilo Jara a

    E-Print Network [OSTI]

    Catholic University of Chile (Universidad Católica de Chile)

    Data Bank Statistical analysis of wind energy in Chile David Watts a,b,*, Danilo Jara December 2010 Keywords: Wind Wind speed Energy Capacity factor Electricity Chile a b s t r a c t Bearing role in any future national energy generation matrix. With a view to understanding the local wind

  8. G8-kompatibler Mathe-Bachelor ab WS 2014 Gero Friesecke, Christian Kredler

    E-Print Network [OSTI]

    Kemper, Gregor

    G8-kompatibler Mathe-Bachelor ab WS 2014 Gero Friesecke, Christian Kredler Mitarbeiterversammlung-Uni (1 = keine, 5 = massiv) alle G9 G8 #12;Massnahmen f¨ur Studienanfang WS 2014 Anpassung an G8 (neues ehem. Studierende #12;Anpassung an G8 Prinzip: 'Minimal change' Prop¨adeutikum 'Diskrete Mathematik' (1

  9. On the moving boundary conditions for a hydraulic fracture Emmanuel Detournay a,b,

    E-Print Network [OSTI]

    Peirce, Anthony

    On the moving boundary conditions for a hydraulic fracture Emmanuel Detournay a,b, , Anthony Peirce 2014 Keywords: Hydraulic fractures Speed equation Ill-posedness a b s t r a c t This paper re-examines the boundary conditions at the moving front of a hydraulic fracture when the fluid front has coalesced

  10. Ab initio statistical mechanics of surface adsorption and desorption. II. Nuclear quantum effects

    E-Print Network [OSTI]

    Alfè, Dario

    systems for which quantum contributions to the free energy are known exactly from analytic arguments/mol. As a contribution to these developments, we present here a practical scheme for including quantum nuclear effectsAb initio statistical mechanics of surface adsorption and desorption. II. Nuclear quantum effects D

  11. A review of recent advances in ab initio protein folding by the Folding@home project

    E-Print Network [OSTI]

    A review of recent advances in ab initio protein folding by the Folding@home project William Ito molecular simulations of protein folding. Thanks to engineering innovations like a Graphical Processing Unit power, allowing it to simulate longer and more complex protein folding mechanisms than ever before

  12. Advancing beyond current generation dye-sensitized solar cells Thomas W. Hamann,ab

    E-Print Network [OSTI]

    of oil will soon not be able to keep up with the growing demand leading to dire economic consequences.2, they are not yet an economically viable alternative to fossil fuels.7 The abundant supply and environmentalAdvancing beyond current generation dye-sensitized solar cells Thomas W. Hamann,ab Rebecca A

  13. http://arXiv.org/abs/physics/0011002 A HISTORICAL PERSPECTIVE ON CANCER *

    E-Print Network [OSTI]

    Sorkin, Rafael Dolnick

    http://arXiv.org/abs/physics/0011002 A HISTORICAL PERSPECTIVE ON CANCER * Rafael D. Sorkin@physics.syr.edu Abstract It is proposed that cancer results from the breakdown of universal con­ trol mechanisms which the damaged control mechanisms and thereby arresting the cancer. More or less by definition, a cancerous cell

  14. http://arXiv.org/abs/physics/0011002 A HISTORICAL PERSPECTIVE ON CANCER *

    E-Print Network [OSTI]

    Sorkin, Rafael Dolnick

    http://arXiv.org/abs/physics/0011002 A HISTORICAL PERSPECTIVE ON CANCER * Rafael D. Sorkin@physics.syr.edu Abstract It is proposed that cancer results from the breakdown of universal con- trol mechanisms which the damaged control mechanisms and thereby arresting the cancer. More or less by definition, a cancerous cell

  15. Satellite remote sensing of surface air quality Randall V. Martin a,b,*

    E-Print Network [OSTI]

    Martin, Randall

    Review Satellite remote sensing of surface air quality Randall V. Martin a,b,* a Department 2007 Received in revised form 26 June 2008 Accepted 2 July 2008 Keywords: Remote sensing Air quality Satellite Pollution Emissions a b s t r a c t Satellite remote sensing of air quality has evolved

  16. Ab initio treatment of electron correlations in polymers: Lithium hydride chain and beryllium hydride polymer

    E-Print Network [OSTI]

    Birkenheuer, Uwe

    Ab initio treatment of electron correlations in polymers: Lithium hydride chain and berylliumH and beryllium hydride Be2H4 . First, employing a Wannier-function-based approach, the systems are studiedH and the beryllium hydride polymer Be2H4 . As a simple, but due to its ionic character, non- trivial model polymer

  17. ECE 230A/B AP/EDM (Grad) MS Comprehensive Exam FA10

    E-Print Network [OSTI]

    Wang, Deli

    ECE 230A/B ­ AP/EDM (Grad) MS Comprehensive Exam FA10 Problem 1 For the 1-D Ga (everything else unchanged). (d) Replace the Si base with a uniform SiGe base of bandgap 0.1 eV smaller than that of Si (everything else unchanged). #12;

  18. Ab-initio Kinetic Monte Carlo Model of Ionic Conduction in Bulk Yttria-stabilized Zirconia

    E-Print Network [OSTI]

    Cai, Wei

    Ab-initio Kinetic Monte Carlo Model of Ionic Conduction in Bulk Yttria-stabilized Zirconia Eunseok in bulk single crystal Yttria-stabilized Zirconia. An interacting energy barrier model is developed dynamics to simulate the vacancy diffusion in Yttria-stabilized Zirconia (YSZ). They concluded

  19. Free energy analysis of vesicle-to-bicelle transformation Wataru Shinoda,*ab

    E-Print Network [OSTI]

    Nielsen, Steven O.

    Free energy analysis of vesicle-to-bicelle transformation Wataru Shinoda,*ab Takenobu Nakamuraab a series of coarse-grained molecular dynamics simulations, we evaluate the free energy profile for the transformation of a small vesicle to a disk-like structure called a bicelle. This free energy is found

  20. An accurate ab initio quartic force field and vibrational frequencies for CH4 and isotopomers

    E-Print Network [OSTI]

    Martin, Jan M.L.

    SBG, Limburgs Universitair Centrum. Universitaire Campus, B-3590, Diepenbeek, Belgium, and Department of Chemistry, University of Antwerp (UIA), Universiteitsplein 1, B-2610 Wilrijk, Belgium Peter R. Taylor San of Physics. I. INTRODUCTION In the last few years, we have been involved in deter- mining very accurate ab

  1. Atomic and electronic structure of acetic acid on Ge(100) Do Hwan Kim a,b

    E-Print Network [OSTI]

    Kim, Sehun

    Atomic and electronic structure of acetic acid on Ge(100) Do Hwan Kim a,b , Eunkyung Hwang to investigate the atomic and electronic structure of acetic acid adsorbed on Ge(100) surface. Due to its acidity, acetic acid dissociates and the resulting electron-rich acetate group reacts with the electron

  2. From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia

    E-Print Network [OSTI]

    Martin, Jan M.L.

    energies of this nonlinear hydrogen bond. We present a novel density functional, HCTH/407 , which leads to two equivalent ``hydrogen bonding contacts,'' is extremely close in energy on an overall flatFrom ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding

  3. Augmenting CT Cardiac Roadmaps with Segmented Streaming Qi Duan a,b

    E-Print Network [OSTI]

    Augmenting CT Cardiac Roadmaps with Segmented Streaming Ultrasound Qi Duan a,b , Guy Shechter Static X-ray computed tomography (CT) volumes are often used as anatomic roadmaps during catheter. Augmenting these static CT roadmaps with segmented myocardial borders extracted from live ultrasound (US

  4. Hybrid formation control of the Unmanned Aerial Vehicles Ali Karimoddini a,b

    E-Print Network [OSTI]

    Benmei, Chen

    Hybrid formation control of the Unmanned Aerial Vehicles Ali Karimoddini a,b , Hai Lin b, , Ben M December 2010 Keywords: Unmanned Aerial Vehicles (UAVs) Formation control Hybrid supervisory control Polar partitioning a b s t r a c t An essential issue in the formation control of Unmanned Aerial Vehicles (UAVs

  5. AB 758 COMPREHENSIVE ENERGY EFFICIENCY PROGRAM FOR EXISTING RESIDENTIAL AND NONRESIDENTIAL BUILDINGS

    E-Print Network [OSTI]

    homes energy efficient through Title 24 Part 6 Building Energy Efficiency Standards (Standards for Energy Efficiency in Existing Buildings (AB 549 Report), the Energy Commission made a series to existing buildings, disclosure of home energy ratings at point- of-sale, expansion of whole-building

  6. Advances in the ab initio description of nuclear three-cluster systems

    E-Print Network [OSTI]

    Romero-Redondo, Carolina; Navrátil, Petr; Hupin, Guillaume

    2015-01-01

    We introduce the extension of the ab initio no-core shell model with continuum to describe three-body cluster systems. We present results for the ground state of 6He and show improvements with respect to the description obtained within the no-core shell model and the no-core shell model/resonating group methods.

  7. Mixed-mode fracture of human cortical bone Elizabeth A. Zimmermann a,b

    E-Print Network [OSTI]

    Ritchie, Robert

    Mixed-mode fracture of human cortical bone Elizabeth A. Zimmermann a,b , Maximilien E. Launey Available online 1 July 2009 Keywords: Human cortical bone Mixed-mode fracture Fracture toughness Fracture mechanisms a b s t r a c t Although the mode I (tensile opening) fracture toughness has been the focus

  8. New approaches to measuring biochar density and Catherine E. Brewer a,b,

    E-Print Network [OSTI]

    Gonnermann, Helge

    : Brewer CE, et al., New approaches to measuring biochar density and porosity, Biomass and Bioenergy (2014New approaches to measuring biochar density and porosity Catherine E. Brewer a,b, *, Victoria J Accepted 26 March 2014 Available online xxx Keywords: Biochar Skeletal density Envelope density Pore volume

  9. LATTICE POLYMER AUTOMATA Steen RASMUSSEN a;b and Joshua R. SMITH b;c

    E-Print Network [OSTI]

    LATTICE POLYMER AUTOMATA Steen RASMUSSEN a;b and Joshua R. SMITH b;c a TSA­DO/SA MS M997 and CNLS, the Lattice Polymer Automaton [LPA]. In the LPA all interactions, including electromagnetic forces, the molecular excluded volume forces, the longer range intermolecular forces, and the polymer

  10. RESOLVED NEAR-INFRARED SPECTROSCOPY OF WISE J104915.57-531906.1AB: A FLUX-REVERSAL BINARY AT THE L DWARF/T DWARF TRANSITION

    SciTech Connect (OSTI)

    Burgasser, Adam J.; Sheppard, Scott S.; Luhman, K. L.

    2013-08-01

    We report resolved near-infrared spectroscopy and photometry of the recently identified brown dwarf binary WISE J104915.57-531906.1AB, located 2.02 {+-} 0.15 pc from the Sun. Low-resolution spectral data from Magellan/FIRE and IRTF/SpeX reveal strong H{sub 2}O and CO absorption features in the spectra of both components, while the secondary also exhibits weak CH{sub 4} absorption at 1.6 {mu}m and 2.2 {mu}m. Spectral indices and comparison to low-resolution spectral standards indicate component types of L7.5 and T0.5 {+-} 1, the former consistent with the optical classification of the primary. Both sources also have unusually red spectral energy distributions for their spectral types, which we attribute to enhanced condensate opacity (thick clouds). Relative photometry reveals a flux reversal between the J and K bands, with the T dwarf component being brighter in the 0.95-1.3 {mu}m region ({Delta}J = -0.31 {+-} 0.05). As with other L/T transition binaries, this reversal likely reflects the depletion of condensate opacity in the T dwarf, with the contrast enhanced by the thick clouds present in the photosphere of the L dwarf primary. The 1 {mu}m flux from the T dwarf most likely emerges from gaps in its cloud layer, as suggested by the significant optical variability detected from this source by Gillon et al. Component mass measurements of the WISE J1049-5319AB system through astrometric and component radial velocity monitoring may resolve the current debate as to whether the loss of photospheric condensate clouds at the L dwarf/T dwarf boundary is a slow or rapid process, a conceivable endeavor given its proximity, brightness, small separation (3.1 {+-} 0.3 AU), and reasonable orbital period (20-30 yr)

  11. Projection of needs for gamma radiation sources and other radioisotopes and assessment of alternatives for providing radiation sources

    SciTech Connect (OSTI)

    Ross, W.A.; Jensen, G.A.; Clark, L.L.; Eakin, D.E.; Jarrett, J.H.; Katayama, Y.B.; McKee, R.W.; Morgan, L.G.; Nealey, S.M.; Platt, A.M.; Tingey, G.L.

    1989-06-01

    Pacific Northwest Laboratory reviewed the projected uses and demands for a variety of nuclear byproducts. Because the major large-scale near-term demand is for gamma irradiation sources, this report concentrates on the needs for gamma sources and evaluates the options for providing the needed material. Projections of possible growth in the irradiation treatment industry indicate that there will be a need for 180 to 320 MCi of /sup 60/Co (including /sup 137/Cs equivalent) in service in the year 2000. The largest current and projected use of gamma irradiation is for the sterilization of medical devices and disposable medical supplies. Currently, 40% of US disposable medical products are treated by irradiation, and within 10 years it is expected that 90% will be treated in this manner. Irradiation treatment of food for destruction of pathogens or parasites, disinfestation, or extension of allowable storage periods is estimated to require an active inventory of 75 MCi of /sup 60/Co-equivalent gamma source in about a decade. 90 refs., 7 figs., 25 tabs.

  12. Ab-initio molecular dynamics simulation of liquid water by Quantum Monte Carlo

    E-Print Network [OSTI]

    Andrea Zen; Ye Luo; Guglielmo Mazzola; Leonardo Guidoni; Sandro Sorella

    2015-04-21

    Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum chemistry. In this article we present a room temperature simulation of liquid water based on the potential energy surface obtained by a many-body wave function through quantum Monte Carlo (QMC) methods. The simulated properties are in good agreement with recent neutron scattering and X-ray experiments, particularly concerning the position of the oxygen-oxygen peak in the radial distribution function, at variance of previous Density Functional Theory attempts. Given the excellent performances of QMC on large scale supercomputers, this work opens new perspectives for predictive and reliable ab-initio simulations of complex chemical systems.

  13. Operator evolution for ab initio electric dipole transitions of 4He

    E-Print Network [OSTI]

    Micah D. Schuster; Sofia Quaglioni; Calvin W. Johnson; Eric D. Jurgenson; Petr Navratil

    2015-04-02

    A goal of nuclear theory is to make quantitative predictions of low-energy nuclear observables starting from accurate microscopic internucleon forces. A major element of such an effort is applying unitary transformations to soften the nuclear Hamiltonian and hence accelerate the convergence of ab initio calculations as a function of the model space size. The consistent simultaneous transformation of external operators, however, has been overlooked in applications of the theory, particularly for nonscalar transitions. We study the evolution of the electric dipole operator in the framework of the similarity renormalization group method and apply the renormalized matrix elements to the calculation of the 4He total photoabsorption cross section and electric dipole polarizability. All observables are calculated within the ab initio no-core shell model. We find that, although seemingly small, the effects of evolved operators on the photoabsorption cross section are comparable in magnitude to the correction produced by including the chiral three-nucleon force and cannot be neglected.

  14. Bridging a gap between continuum-QCD and ab initio predictions of hadron observables

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

    Binosi, Daniele; Chang, Lei; Papavassiliou, Joannis; Roberts, Craig D.

    2015-03-01

    Within contemporary hadron physics there are two common methods for determining the momentum- dependence of the interaction between quarks: the top-down approach, which works toward an ab initiocomputation of the interaction via direct analysis of the gauge-sector gap equations; and the bottom-up scheme, which aims to infer the interaction by fitting data within a well-defined truncation of those equations in the matter sector that are relevant to bound-state properties. We unite these two approaches by demonstrating that the renormalisation-group-invariant running-interaction predicted by contemporary analyses of QCD’s gauge sector coincides with that required in order to describe ground-state hadron observables usingmore »a nonperturbative truncation of QCD’s Dyson–Schwinger equations in the matter sector. This bridges a gap that had lain between nonperturbative continuum-QCD and the ab initio prediction of bound-state properties.« less

  15. Bridging a gap between continuum-QCD and ab initio predictions of hadron observables

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

    Binosi, Daniele; Chang, Lei; Papavassiliou, Joannis; Roberts, Craig D.

    2015-01-23

    Within contemporary hadron physics there are two common methods for determining the momentum-dependence of the interaction between quarks: the top-down approach, which works toward an ab initio computation of the interaction via direct analysis of the gauge-sector gap equations; and the bottom-up scheme, which aims to infer the interaction by fitting data within a well-defined truncation of those equations in the matter sector that are relevant to bound-state properties. We unite these two approaches by demonstrating that the renormalisation-group-invariant running-interaction predicted by contemporary analyses of QCD’s gauge sector coincides with that required in order to describe ground-state hadron observables usingmore »a nonperturbative truncation of QCD’s Dyson–Schwinger equations in the matter sector. This bridges a gap that had lain between nonperturbative continuum-QCD and the ab initio prediction of bound-state properties.« less

  16. Homogeneous comparison of directly detected planet candidates: GQ Lup, 2M1207, AB Pic

    E-Print Network [OSTI]

    Ralph Neuhaeuser

    2005-09-30

    We compile the observational evidence for the three recently presented planet candidates imaged directly and derive in a homogeneous way their temperatures and masses. For both AB Pic b and 2M1207 b, we derive a larger temperature range than in Chauvin et al. (2004, 2005b). AB Pic b appears to be quite similar as GQ Lup b, but older. According to the Tucson and Lyon models, all three companions could either be planets or brown dwarfs. According to the Wuchterl formation model, the masses seem to be below the D burning limit. We discuss whether the three companions can be classified as planets, and whether the three systems are gravitationally bound and long-term stable.

  17. Ab-initio Gorkov-Green's function calculations of open-shell nuclei

    E-Print Network [OSTI]

    V. Soma; C. Barbieri; T. Duguet

    2012-08-13

    We present results from a new ab-initio method that uses the self-consistent Gorkov Green's function theory to address truly open-shell systems. The formalism has been recently worked out up to second order and is implemented here in nuclei for the first time on the basis of realistic nuclear forces. We find good convergence of the results with respect to the basis size in Ca44 and Ni74 and discuss quantities of experimental interest including ground-state energies, pairing gaps and particle addition/removal spectroscopy. These results demonstrate that the Gorkov method is a valid alternative to multireference approaches for tackling degenerate or near degenerate quantum systems. In particular, it increases the number of mid-mass nuclei accessible in an ab-initio fashion from a few tens to a few hundreds.

  18. DC source assemblies

    DOE Patents [OSTI]

    Campbell, Jeremy B; Newson, Steve

    2013-02-26

    Embodiments of DC source assemblies of power inverter systems of the type suitable for deployment in a vehicle having an electrically grounded chassis are provided. An embodiment of a DC source assembly comprises a housing, a DC source disposed within the housing, a first terminal, and a second terminal. The DC source also comprises a first capacitor having a first electrode electrically coupled to the housing, and a second electrode electrically coupled to the first terminal. The DC source assembly further comprises a second capacitor having a first electrode electrically coupled to the housing, and a second electrode electrically coupled to the second terminal.

  19. Carbon monoxide-assisted growth of carbon nanotubes Y.H. Tang a,b

    E-Print Network [OSTI]

    Zheng, Yufeng

    diameter of 30 nm and 20 layers. Nickel was observed in the tips of the nanotubes and played a crucial roleCarbon monoxide-assisted growth of carbon nanotubes Y.H. Tang a,b , Y.F. Zheng a , C.S. Lee a , N was used to synthesize carbon nanotubes (CNTs) in a hot-®lament chemical vapor deposition (HFCVD) system

  20. Ab initio molecular dynamics simulation of pressure-induced phase transformation of BeO

    SciTech Connect (OSTI)

    Xiao, H. Y.; Duan, G.; Zu, X. T.; Weber, W. J.

    2011-05-05

    Ab initio molecular dynamics (MD) method has been used to study high pressure-induced phase transformation in BeO based on the local density approximation (LDA) and the generalized gradient approximation (GGA). Both methods show that the wurtzite (WZ) and zinc blende (ZB) BeO transforms to the rocksalt (RS) structure smoothly at high pressure. The transition pressures obtained from the LDA method are about 40 GPa larger than the GGA result for both WZ ? RS and ZB ? RS phase transformations, and the phase transformation mechanisms revealed by the LDA and GGA methods are different. For WZ ? RS phase transformations both mechanisms obtained from the LDA and GGA methods are not comparable to the previous ab initio MD simulations of WZ BeO at 700 GPa based on the GGA method. It is suggested that the phase transformation mechanisms of BeO revealed by the ab initio MD simulations are affected remarkably by the exchange–correlation functional employed and the way of applying pressure.

  1. Accelerating ab initio path integral molecular dynamics with multilevel sampling of potential surface

    E-Print Network [OSTI]

    Hua Y. Geng

    2014-12-19

    A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics (AI-PIMD) simulation, without compromising the overall accuracy. To validate the method, the internal energy and free energy of an Einstein crystal are calculated and compared with the analytical solutions. As a preliminary application, we assess the performance of the method in a realistic model, the FCC phase of dense atomic hydrogen, in which the calculated result shows that the acceleration rate is about 3 to 4 fold for a two-level implementation, and can be increased to 10 times if extrapolation is used. With only 16 beads used for the ab initio potential sampling, this method gives a well converged internal energy. The residual error in pressure is just about 3 GPa, whereas it is about 20 GPa for a plain AI-PIMD calculation with the same number of beads. The vibrational free energy of the FCC phase of dense hydrogen at 300 K is also calculated with an AI-PIMD thermodynamic integration method, which gives a result of about 0.51 eV/proton at a density of $r_{s}=0.912$.

  2. The RCK Domain of the KtrAB K+ Transporter: Multiple Conformations of an Octameric Ring

    SciTech Connect (OSTI)

    Albright,R.; Vazquez Ibar, J.; Kim, C.; Gruner, S.; Morais-Cabral, J.

    2006-01-01

    The KtrAB ion transporter is a complex of the KtrB membrane protein and KtrA, an RCK domain. RCK domains regulate eukaryotic and prokaryotic membrane proteins involved in K{sup +} transport. Conflicting functional models have proposed two different oligomeric arrangements for RCK domains, tetramer versus octamer. Our results for the KtrAB RCK domain clearly show an octamer in solution and in the crystal. We determined the structure of this protein in three different octameric ring conformations that resemble the RCK-domain octamer observed in the MthK potassium channel but show striking differences in size and symmetry. We present experimental evidence for the association between one RCK octameric ring and two KtrB membrane proteins. These results provide insights into the quaternary organization of the KtrAB transporter and its mechanism of activation and show that the RCK-domain octameric ring model is generally applicable to other ion-transport systems.

  3. Power generation by packed-bed air-cathode microbial fuel cells Xiaoyuan Zhang a,b

    E-Print Network [OSTI]

    Power generation by packed-bed air-cathode microbial fuel cells Xiaoyuan Zhang a,b , Juan Shi c to P15 g significantly reduced power generation because of a reduction in oxygen transfer due

  4. Exploring kinetics and thermodynamics in fast-ion conductors and hydrogen-storage materials using ab-initio molecular dynamics

    E-Print Network [OSTI]

    Wood, Brandon C. (Brandon Christopher)

    2007-01-01

    We investigate the interplay between various kinetic processes and thermodynamic factors in three materials--silver iodide (AgI), cesium hydrogen sulfate (CsHSO4), and sodium alanate (NaAlH4)-using ab-initio molecular ...

  5. AB 811 enables you to tailor a program that makes sense for your community and constituents. You determine the

    E-Print Network [OSTI]

    Kammen, Daniel M.

    Fellow Local Government Officials: Imagine a program that: Helps your residents and businesses cut and Highways Code to include "energy improve- ments" on private property as public benefits. Through AB 811

  6. Ab initio molecular dynamics with nuclear quantum effects at classical cost: ring polymer contraction for density functional theory

    E-Print Network [OSTI]

    Marsalek, Ondrej

    2015-01-01

    Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding as a reference system, we show that our ab initio ring polymer contraction (AI-RPC) scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive pro...

  7. Microwave ion source

    DOE Patents [OSTI]

    Leung, Ka-Ngo; Reijonen, Jani; Thomae, Rainer W.

    2005-07-26

    A compact microwave ion source has a permanent magnet dipole field, a microwave launcher, and an extractor parallel to the source axis. The dipole field is in the form of a ring. The microwaves are launched from the middle of the dipole ring using a coaxial waveguide. Electrons are heated using ECR in the magnetic field. The ions are extracted from the side of the source from the middle of the dipole perpendicular to the source axis. The plasma density can be increased by boosting the microwave ion source by the addition of an RF antenna. Higher charge states can be achieved by increasing the microwave frequency. A xenon source with a magnetic pinch can be used to produce intense EUV radiation.

  8. Dynamic radioactive particle source

    DOE Patents [OSTI]

    Moore, Murray E.; Gauss, Adam Benjamin; Justus, Alan Lawrence

    2012-06-26

    A method and apparatus for providing a timed, synchronized dynamic alpha or beta particle source for testing the response of continuous air monitors (CAMs) for airborne alpha or beta emitters is provided. The method includes providing a radioactive source; placing the radioactive source inside the detection volume of a CAM; and introducing an alpha or beta-emitting isotope while the CAM is in a normal functioning mode.

  9. Improved ion source

    DOE Patents [OSTI]

    Leung, K.N.; Ehlers, K.W.

    1982-05-04

    A magnetic filter for an ion source reduces the production of undesired ion species and improves the ion beam quality. High-energy ionizing electrons are confined by the magnetic filter to an ion source region, where the high-energy electrons ionize gas molecules. One embodiment of the magnetic filter uses permanent magnets oriented to establish a magnetic field transverse to the direction of travel of ions from the ion source region to the ion extraction region. In another embodiment, low energy 16 eV electrons are injected into the ion source to dissociate gas molecules and undesired ion species into desired ion species,

  10. Radiation Source Replacement Workshop

    SciTech Connect (OSTI)

    Griffin, Jeffrey W.; Moran, Traci L.; Bond, Leonard J.

    2010-12-01

    This report summarizes a Radiation Source Replacement Workshop in Houston Texas on October 27-28, 2010, which provided a forum for industry and researchers to exchange information and to discuss the issues relating to replacement of AmBe, and potentially other isotope sources used in well logging.

  11. Lithium ion sources

    E-Print Network [OSTI]

    Roy, Prabir K.

    2014-01-01

    HIFAN 1866 Lithium ion sources by Prabir K. Roy, Wayne G.No. DE-AC02-05CH11231. Lithium ion sources Prabir K. RoyUSA Abstract A 10.9 cm diameter lithium alumino-silicate ion

  12. Tsunami Sources Icosahedron Globe

    E-Print Network [OSTI]

    Tsunami Sources Icosahedron Globe August 2012 Edition NOAA National Geophysical Data Center World to reduce to 8.5" x 11". This globe of Earth shows the locations of historical tsunami sources, extracted from NGDC'sGlobal Historical Tsunami Database (ngdc.noaa.gov/hazard). A tsunamiisaseriesof traveling

  13. Piezotube borehole seismic source

    DOE Patents [OSTI]

    Daley, Tom M; Solbau, Ray D; Majer, Ernest L

    2014-05-06

    A piezoelectric borehole source capable of permanent or semipermanent insertion into a well for uninterrupted well operations is described. The source itself comprises a series of piezoelectric rings mounted to an insulative mandrel internally sized to fit over a section of well tubing, the rings encased in a protective housing and electrically connected to a power source. Providing an AC voltage to the rings will cause expansion and contraction sufficient to create a sonic pulse. The piezoelectric borehole source fits into a standard well, and allows for uninterrupted pass-through of production tubing, and other tubing and electrical cables. Testing using the source may be done at any time, even concurrent with well operations, during standard production.

  14. Continuous measurement of blast furnace burden profile at SSAB Tunnplat AB

    SciTech Connect (OSTI)

    Virtala, J.; Edberg, N.; Hallin, M. (SSAB Tunnplat AB, Lulea (Sweden). Ironmaking Division)

    1993-01-01

    A unique profile meter system is installed on Blast Furnace No. 2 in SSAB - Swedish Steel AB, Lulea, Sweden. This system measures the charge material burden profile across the furnace top diameter before and after each charge. The system generates real-time data, which is graphically presented by the system on a monitor and includes burden descent speed, layer thickness of the coke and ore (corrected for descent), ore to coke ratio, and burden skewing. The system is described along with operational results.

  15. Real wavepacket code for ABC + D {r_arrow} AB + CD reactive scattering.

    SciTech Connect (OSTI)

    Mayneris, J.; Gonzalez, M.; Gray, S. K.; Chemical Sciences and Engineering Division; Univ. de Barcelona

    2008-09-01

    We discuss a six-dimensional, time-dependent real wavepacket (RWP) code designed to obtain reaction probabilities for ABC(v{sub I}) + D {yields} AB + CD four-atom reactions, where v{sub I} is a collective index for the initial quantum state of the triatomic molecule. The code provides exact results for total angular momentum J = 0, and invokes the helicity decoupling (or centrifugal sudden) approximation for J > 0. Our new RWP code has been extensively checked by considering the benchmark H + H{sub 2}O {yields} H{sub 2} + OH abstraction reaction.

  16. An ab initio molecular orbital study of metal nitrosyl bond angles in iron complexes 

    E-Print Network [OSTI]

    Hawkins, Tommy Wayne

    1979-01-01

    the berding process. Negligible transfer of charge, as determined by total charge population, between sntal and ligsnd is observed as in the (FeN0) case. The cyanide ligands appear to equally share a de- 6 ficit of about one charge unit. At the linear Fe...I An ab initio molecular orbital study of the series [Fe(NO)CN)4] (N = 1, 2, 3) and [Fe(NO)Z(CN)ZN)] is made with emphasis on the effect of iron nitrosyl bond angle on electronic structure. In the [FeNO} 6 1- case, [Fe(NO)(CN)4] , there is a potential...

  17. Ab-initio study of high temperature lattice dynamics of BCC zirconium (?-Zr) and uranium (?-U)

    SciTech Connect (OSTI)

    Ghosh, Partha S., E-mail: parthasarathi13@gmail.com; Arya, A., E-mail: parthasarathi13@gmail.com; Dey, G. K., E-mail: parthasarathi13@gmail.com [Materials Science Division, Bhabha Atomic Research Centre, Mumbai-400085 (India)

    2014-04-24

    Using self consistent ab-initio lattice dynamics calculations, we show that bcc structures of Zr and U phases become stable at high temperature by phonon-phonon interactions. The calculated temperature dependent phonon dispersion curve (PDC) of ?-Zr match excellently with experimental PDC. But the calculated PDC for ?-U shows negative phonon frequencies even at solid to liquid transition temperature. We show that this discrepancy is due to an overestimation of instability depth of bcc U phase which is removed by incorporation of spin-orbit coupling in the electronic structure calculations.

  18. Microfabricated diffusion source

    DOE Patents [OSTI]

    Oborny, Michael C. (Albuquerque, NM); Frye-Mason, Gregory C. (Cedar Crest, NM); Manginell, Ronald P. (Albuquerque, NM)

    2008-07-15

    A microfabricated diffusion source to provide for a controlled diffusion rate of a vapor comprises a porous reservoir formed in a substrate that can be filled with a liquid, a headspace cavity for evaporation of the vapor therein, a diffusion channel to provide a controlled diffusion of the vapor, and an outlet to release the vapor into a gas stream. The microfabricated diffusion source can provide a calibration standard for a microanalytical system. The microanalytical system with an integral diffusion source can be fabricated with microelectromechanical systems technologies.

  19. Galactic Superluminal Sources

    E-Print Network [OSTI]

    B. A. Harmon

    1998-12-21

    A new class of X-ray sources was clearly established with the discovery of highly relativistic radio jets from the galactic sources GRS 1915+105 and GRO J1655-40. Both of these objects have given us a broader view of black holes and the formation of jets, yet they also show the complexity of the accretion environment near relativistic objects. The fast apparent motion of the jets, their luminosity and variability, their high energy spectrum, and approximate scaling to the behavior of active galactic nuclei, certainly warrant the description "microquasar". I present a review of the observational data on these sources, and discuss where we stand on a physical picture of GRS 1915+105 and GRO J1655-40 as taken from multi-wavelength studies. I also point out other galactic sources which share some of the properties of the microquasars, and what to look for as a high energy "signature" in future observations.

  20. Open source hardware

    E-Print Network [OSTI]

    Acosta, Roberto, S.M. Massachusetts Institute of Technology

    2009-01-01

    Open source software development models have created some of the most innovative tools and companies in the industry today modifying the way value is created and businesses developed. The purpose of this thesis is to analyze ...

  1. National Synchrotron Light Source

    ScienceCinema (OSTI)

    None

    2010-01-08

    A tour of Brookhaven's National Synchrotron Light Source (NSLS). The NSLS is one of the world's most widely used scientific research facilities, hosting more than 2,500 guest researchers each year. The NSLS provides intense beams of infrared, ultraviole

  2. Light Source Effects

    E-Print Network [OSTI]

    Forbus, K.

    1977-05-01

    The perception of surface luster in achromatic single view images seems to depend on the existence of regions with source-like properties. These regions are due to the interaction of specular component of the surface's ...

  3. A surface ionization source 

    E-Print Network [OSTI]

    Buzatu, Daniel J.

    1995-01-01

    The main part of the work described herein is the development and testing of a surface ionization source for use on a collinear fast beam laser spectroscopy apparatus. A description of the previously existing fast beam apparatus is given...

  4. OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report appeNDIX e

    E-Print Network [OSTI]

    OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report ­ appeNDIX e presentationAbOrAtOry NG Workshop summary report ­ appeNDIX e 2 #12;OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report ­ appeNDIX e 3 #12;OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report

  5. Low-altitude remote sensing dataset of DEM and RGB mosaic for AB corridor on July 13 2013 and L2 corridor on July 21 2013

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

    Baptiste Dafflon

    Low-altitude remote sensing dataset including DEM and RGB mosaic for AB (July 13 2013) and L2 corridor (July 21 2013)

  6. Low-altitude remote sensing dataset of DEM and RGB mosaic for AB corridor on July 13 2013 and L2 corridor on July 21 2013

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

    Baptiste Dafflon

    2015-04-07

    Low-altitude remote sensing dataset including DEM and RGB mosaic for AB (July 13 2013) and L2 corridor (July 21 2013)

  7. Field emission electron source

    DOE Patents [OSTI]

    Zettl, Alexander Karlwalter (Kensington, CA); Cohen, Marvin Lou (Berkeley, CA)

    2000-01-01

    A novel field emitter material, field emission electron source, and commercially feasible fabrication method is described. The inventive field emission electron source produces reliable electron currents of up to 400 mA/cm.sup.2 at 200 volts. The emitter is robust and the current it produces is not sensitive to variability of vacuum or the distance between the emitter tip and the cathode. The novel emitter has a sharp turn-on near 100 volts.

  8. Magnetron sputtering source

    DOE Patents [OSTI]

    Makowiecki, Daniel M. (Livermore, WA); McKernan, Mark A. (Livermore, CA); Grabner, R. Fred (Brentwood, CA); Ramsey, Philip B. (Livermore, CA)

    1994-01-01

    A magnetron sputtering source for sputtering coating substrates includes a high thermal conductivity electrically insulating ceramic and magnetically attached sputter target which can eliminate vacuum sealing and direct fluid cooling of the cathode assembly. The magnetron sputtering source design results in greater compactness, improved operating characteristics, greater versatility, and low fabrication cost. The design easily retrofits most sputtering apparatuses and provides for safe, easy, and cost effective target replacement, installation, and removal.

  9. Magnetron sputtering source

    DOE Patents [OSTI]

    Makowiecki, D.M.; McKernan, M.A.; Grabner, R.F.; Ramsey, P.B.

    1994-08-02

    A magnetron sputtering source for sputtering coating substrates includes a high thermal conductivity electrically insulating ceramic and magnetically attached sputter target which can eliminate vacuum sealing and direct fluid cooling of the cathode assembly. The magnetron sputtering source design results in greater compactness, improved operating characteristics, greater versatility, and low fabrication cost. The design easily retrofits most sputtering apparatuses and provides for safe, easy, and cost effective target replacement, installation, and removal. 12 figs.

  10. National Synchrotron Light Source

    ScienceCinema (OSTI)

    BNL

    2009-09-01

    A tour of Brookhaven's National Synchrotron Light Source (NSLS), hosted by Associate Laboratory Director for Light Sources, Stephen Dierker. The NSLS is one of the world's most widely used scientific research facilities, hosting more than 2,500 guest researchers each year. The NSLS provides intense beams of infrared, ultraviolet, and x-ray light for basic and applied research in physics, chemistry, medicine, geophysics, environmental, and materials sciences.

  11. Embedding parameters in ab initio theory to develop well-controlled approximations based on molecular similarity

    E-Print Network [OSTI]

    Matteus Tanha; Shiva Kaul; Alex Cappiello; Geoffrey J. Gordon; David J. Yaron

    2013-11-14

    A means to take advantage of molecular similarity to lower the computational cost of electronic structure theory is proposed, in which parameters are embedded into a low-cost, low-level (LL) ab initio theory and adjusted to obtain agreement with a higher level (HL) ab initio theory. This approach is explored by training such a model on data for ethane and testing the resulting model on methane, propane and butane. The electronic distribution of the molecules is varied by placing them in strong electrostatic environments consisting of random charges placed on the corners of a cube. The results find that parameters embedded in HF/STO-3G theory can be adjusted to obtain agreement, to within about 2 kcal/mol, with results of HF/6-31G theory. Obtaining this level of agreement requires the use of parameters that are functions of the bond lengths, atomic charges, and bond orders within the molecules. The argument is made that this approach provides a well-controlled means to take advantage of molecular similarity in quantum chemistry.

  12. Embedding parameters in ab initio theory to develop approximations based on molecular similarity

    E-Print Network [OSTI]

    Tanha, Matteus; Kaul, Shiva; Cappiello, Alexander; Gordon, Geoffrey J; Yaron, David J

    2015-01-01

    A means to take advantage of molecular similarity to lower the computational cost of electronic structure theory is explored, in which parameters are embedded into a low-cost, low-level (LL) ab initio model and adjusted to obtain agreement with results from a higher-level (HL) ab initio model. A parametrized LL (pLL) model is created by multiplying selected matrix elements of the Hamiltonian operators by scaling factors that depend on element types. Various schemes for applying the scaling factors are compared, along with the impact of making the scaling factors linear functions of variables related to bond lengths, atomic charges, and bond orders. The models are trained on ethane and ethylene, substituted with -NH2, -OH and -F, and tested on substituted propane, propylene and t-butane. Training and test datasets are created by distorting the molecular geometries and applying uniform electric fields. The fitted properties include changes in total energy arising from geometric distortions or applied fields, an...

  13. GPFA-AB_Phase1RiskAnalysisTask5DataUpload

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

    Teresa E. Jordan

    2015-09-30

    This submission contains information used to compute the risk factors for the GPFA-AB project (DE-EE0006726). The risk factors are natural reservoir quality, thermal resource quality, potential for induced seismicity, and utilization. The methods used to combine the risk factors included taking the product, sum, and minimum of the four risk factors. The files are divided into images, rasters, shapefiles, and supporting information. The image files show what the raster and shapefiles should look like. The raster files contain the input risk factors, calculation of the scaled risk factors, and calculation of the combined risk factors. The shapefiles include definition of the fairways, definition of the US Census Places, the center of the raster cells, and locations of industries. Supporting information contains details of the calculations or processing used in generating the files. An image of the raster will have the same name except *.png as the file ending instead of *.tif. Images with “fairways” or “industries” added to the name are composed of a raster with the relevant shapefile added. The file About_GPFA-AB_Phase1RiskAnalysisTask5DataUpload.pdf contains information the citation, special use considerations, authorship, etc. More details on each file are given in the spreadsheet “list_of_contents.csv” in the folder “SupportingInfo”. Code used to calculate values is available at https://github.com/calvinwhealton/geothermal_pfa under the folder “combining_metrics”.

  14. Exploring intermediate (5-40AU) scales around AB Aurigae with the Palomar Fiber Nuller

    E-Print Network [OSTI]

    Kuhn, Jonas; Liewer, Kurt; Martin, Stefan; Loya, Frank; Millan-Gabet, Rafael; Serabyn, Eugene

    2015-01-01

    We report on recent Ks-band interferometric observations of the young pre-main-sequence star AB Aurigae obtained with the Palomar Fiber Nuller (PFN). Reaching a contrast of a few 10-4 inside a field of view extending from 35 to 275 mas (5-40AU at AB Aur's distance), the PFN is able to explore angular scales that are intermediate between those accessed by coronagraphic imaging and long baseline interferometry. This intermediate region is of special interest given that many young stellar objects are believed to harbor extended halos at such angular scales. Using destructive interference (nulling) between two sub-apertures of the Palomar 200 inch telescope and rotating the telescope pupil, we measured a resolved circumstellar excess at all probed azimuth angles. The astrophysical null measured over the full rotation is fairly constant, with a mean value of 1.52%, and a slight additional azimuthal modulation of +/-0.2%. The isotropic astrophysical null is indicative of circumstellar emission dominated by an azimu...

  15. Deviational simulation of phonon transport in graphene ribbons with ab initio scattering

    SciTech Connect (OSTI)

    Landon, Colin D.; Hadjiconstantinou, Nicolas G. [Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

    2014-10-28

    We present a deviational Monte Carlo method for solving the Boltzmann-Peierls equation with ab initio 3-phonon scattering, for temporally and spatially dependent thermal transport problems in arbitrary geometries. Phonon dispersion relations and transition rates for graphene are obtained from density functional theory calculations. The ab initio scattering operator is simulated by an energy-conserving stochastic algorithm embedded within a deviational, low-variance Monte Carlo formulation. The deviational formulation ensures that simulations are computationally feasible for arbitrarily small temperature differences, while the stochastic treatment of the scattering operator is both efficient and exhibits no timestep error. The proposed method, in which geometry and phonon-boundary scattering are explicitly treated, is extensively validated by comparison to analytical results, previous numerical solutions and experiments. It is subsequently used to generate solutions for heat transport in graphene ribbons of various geometries and evaluate the validity of some common approximations found in the literature. Our results show that modeling transport in long ribbons of finite width using the homogeneous Boltzmann equation and approximating phonon-boundary scattering using an additional homogeneous scattering rate introduces an error on the order of 10% at room temperature, with the maximum deviation reaching 30% in the middle of the transition regime.

  16. Re-Use of Clean Coal Technology By-Products in the Construction of Low Permeability Liners. Final report, 10/1/96 – 3/31/00

    SciTech Connect (OSTI)

    Wolfe, William E.; Butalia, Tarunjit S.; Whitlach, Jr., E. Earl; Mitsch, William

    2000-12-31

    This final project report presents the results of a research program conducted at The Ohio State University from October 1, 1996 to March 31, 2000 to investigate the use of stabilized flue gas desulfurization (FGD) materials in the construction of low permeability liners. The objective of the research program was to establish field-verified time-dependent relationships for the performance of liners constructed from stabilized FGD by-products generated in Ohio. The project objective was accomplished with a coordinated program of testing and analyzing small scale laboratory specimens under controlled conditions, medium-scale wetland mesocosms, and a full-scale pond facility. Although the specific uses directly addressed by this report include liners for surface impoundments, the results presented in this study are also useful in other applications including design of daily cover and liners for landfills, seepage cutoff walls and trenches and for nutrient retention and pollution mitigation wetlands. The small scale laboratory tests, medium scale mesocosm wetland experiments, and construction and monitoring of a full-scale FGD lined facility (capacity of one million gallons) shows that stabilized FGD materials can be used as low permeability liners in the construction of water and manure holding ponds, and constructed wetlands for wastewater treatment. Actual permeability coefficients in the range of 10-7 cm/sec (3 x 10-9 ft/sec) can be obtained in the field by properly compacting lime and fly ash enriched stabilized FGD materials. Leachate from the FGD material meets Ohio’s non-toxic criteria for coal combustion by-products, and for most potential contaminants the national primary and secondary drinking water standards are also met. The low permeability non-toxic FGD material investigated in this study poses very minimal risks, if any, for groundwater contamination. Constructed FGD-lined wetlands offer the opportunity for increased phosphorous retention giving rise to the potential use of these materials as a liners for wastewater treatment wetlands. While plant growth was observed to be less vigorous for FGD lined wetland mesocosms compared to the control, the above and below ground biomass were not significantly different. Cost estimates for FGD liners compared favorably with clay liners for varying haul distances.

  17. Pulsed ion beam source

    DOE Patents [OSTI]

    Greenly, J.B.

    1997-08-12

    An improved pulsed ion beam source is disclosed having a new biasing circuit for the fast magnetic field. This circuit provides for an initial negative bias for the field created by the fast coils in the ion beam source which pre-ionize the gas in the source, ionize the gas and deliver the gas to the proper position in the accelerating gap between the anode and cathode assemblies in the ion beam source. The initial negative bias improves the interaction between the location of the nulls in the composite magnetic field in the ion beam source and the position of the gas for pre-ionization and ionization into the plasma as well as final positioning of the plasma in the accelerating gap. Improvements to the construction of the flux excluders in the anode assembly are also accomplished by fabricating them as layered structures with a high melting point, low conductivity material on the outsides with a high conductivity material in the center. 12 figs.

  18. Advanced byproduct recovery: Direct catalytic reduction of SO{sub 2} to elemental sulfur. First quarterly technical progress report, [October--December 1995

    SciTech Connect (OSTI)

    Benedek, K. [Little (Arthur D.), Inc., Cambridge, MA (United States); Flytzani-Stephanopoulos, M. [Tufts Univ., Medford, MA (United States)

    1996-02-01

    The team of Arthur D. Little, Tufts University and Engelhard Corporation will be conducting Phase I of a four and a half year, two-phase effort to develop and scale-up an advanced byproduct recovery technology that is a direct, single-stage, catalytic process for converting sulfur dioxide to elemental sulfur. this catalytic process reduces SO{sub 2} over a fluorite-type oxide (such as ceria or zirconia). The catalytic activity can be significantly promoted by active transition metals, such as copper. More than 95% elemental sulfur yield, corresponding to almost complete sulfur dioxide conversion, was obtained over a Cu-Ce-O oxide catalyst as part of an ongoing DOE-sponsored University Coal Research Program. This type of mixed metal oxide catalyst has stable activity, high selectivity for sulfur production, and is resistant to water and carbon dioxide poisoning. Tests with CO and CH{sub 4} reducing gases indicates that the catalyst has the potential for flexibility with regard to the composition of the reducing gas, making it attractive for utility use. the performance of the catalyst is consistently good over a range of SO{sub 2} inlet concentration (0.1 to 10%) indicating its flexibility in treating SO{sub 2} tail gases as well as high concentration streams.

  19. Dual source heat pump

    DOE Patents [OSTI]

    Ecker, Amir L. (Dallas, TX); Pietsch, Joseph A. (Dallas, TX)

    1982-01-01

    What is disclosed is a heat pump apparatus for conditioning a fluid characterized by a fluid handler and path for circulating the fluid in heat exchange relationship with a refrigerant fluid; at least two refrigerant heat exchangers, one for effecting heat exchange with the fluid and a second for effecting heat exchange between refrigerant and a heat exchange fluid and the ambient air; a compressor for efficiently compressing the refrigerant; at least one throttling valve for throttling liquid refrigerant; a refrigerant circuit; refrigerant; a source of heat exchange fluid; heat exchange fluid circulating device and heat exchange fluid circuit for circulating the heat exchange fluid in heat exchange relationship with the refrigerant; and valves or switches for selecting the heat exchangers and direction of flow of the refrigerant therethrough for selecting a particular mode of operation. The heat exchange fluid provides energy for defrosting the second heat exchanger when operating in the air source mode and also provides a alternate source of heat.

  20. COMBUSTION SOURCES OF NITROGEN COMPOUNDS

    E-Print Network [OSTI]

    Brown, Nancy J.

    2011-01-01

    Rasmussen, R.A. (1976). Combustion as a source of nitrousx control for stationary combustion sources. Prog. Energy,CA, March 3-4, 1977 COMBUSTION SOURCES OF NITROGEN COMPOUNDS

  1. OLED area illumination source

    DOE Patents [OSTI]

    Foust, Donald Franklin (Scotia, NY); Duggal, Anil Raj (Niskayuna, NY); Shiang, Joseph John (Niskayuna, NY); Nealon, William Francis (Gloversville, NY); Bortscheller, Jacob Charles (Clifton Park, NY)

    2008-03-25

    The present invention relates to an area illumination light source comprising a plurality of individual OLED panels. The individual OLED panels are configured in a physically modular fashion. Each OLED panel comprising a plurality of OLED devices. Each OLED panel comprises a first electrode and a second electrode such that the power being supplied to each individual OLED panel may be varied independently. A power supply unit capable of delivering varying levels of voltage simultaneously to the first and second electrodes of each of the individual OLED panels is also provided. The area illumination light source also comprises a mount within which the OLED panels are arrayed.

  2. 486 IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS--II: EXPRESS BRIEFS, VOL. 59, NO. 8, AUGUST 2012 A Compact Rail-to-Rail Class-AB CMOS Buffer

    E-Print Network [OSTI]

    Serdijn, Wouter A.

    circuits, high speed, rail to rail, slew-rate enhancement. I. INTRODUCTION IN ORDER to drive a large A Compact Rail-to-Rail Class-AB CMOS Buffer With Slew-Rate Enhancement Chutham Sawigun, Member, IEEE Abstract--Two prior-art transconductance amplifier-based rail-to-rail class-AB analog buffers are examined

  3. Comparison of ab Initio and Empirical Potentials for H-Atom Association with Diamond Pascal de Sainte Claire, Kihyung Song, and William L. Hase*

    E-Print Network [OSTI]

    Brenner, Donald W.

    -21 density functional theory,22,23 and ab initio24-27 electronic structure calculations have been used of the reaction path.6-9 A molecular dynamics (i.e., classical trajectory) calculation of an elementary rate determined from the ab initio calculations.24-27 These properties, as well as transition-state structures

  4. Modern Ab Initio Approaches and Applications in Few-Nucleon Physics with A \\ge 4

    E-Print Network [OSTI]

    Winfried Leidemann; Giuseppina Orlandini

    2012-10-15

    We present an overview of the evolution of ab initio methods for few-nucleon systems with A \\ge 4, tracing the progress made that today allows precision calculations for these systems. First a succinct description of the diverse approaches is given. In order to identify analogies and differences the methods are grouped according to different formulations of the quantum mechanical many-body problem. Various significant applications from the past and present are described. We discuss the results with emphasis on the developments following the original implementations of the approaches. In particular we highlight benchmark results which represent important milestones towards setting an ever growing standard for theoretical calculations. This is relevant for meaningful comparisons with experimental data. Such comparisons may reveal whether a specific force model is appropriate for the description of nuclear dynamics.

  5. Ab-initio calculations of electronic, transport, and structural properties of boron phosphide

    SciTech Connect (OSTI)

    Ejembi, J. I.; Nwigboji, I. H.; Franklin, L.; Malozovsky, Y.; Zhao, G. L.; Bagayoko, D., E-mail: diola-bagayoko@subr.edu [Department of Physics, Southern University and A and M College, Baton Rouge, Louisiana 70813 (United States)

    2014-09-14

    We present results from ab-initio, self-consistent density functional theory calculations of electronic and related properties of zinc blende boron phosphide (zb-BP). We employed a local density approximation potential and implemented the linear combination of atomic orbitals formalism. This technique follows the Bagayoko, Zhao, and Williams method, as enhanced by the work of Ekuma and Franklin. The results include electronic energy bands, densities of states, and effective masses. The calculated band gap of 2.02 eV, for the room temperature lattice constant of a=4.5383 Å, is in excellent agreement with the experimental value of 2.02±0.05 eV. Our result for the bulk modulus, 155.7 GPa, agrees with experiment (152–155 GPa). Our predictions for the equilibrium lattice constant and the corresponding band gap, for very low temperatures, are 4.5269 Å and 2.01 eV, respectively.

  6. Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study

    SciTech Connect (OSTI)

    Xiong, L.H.; Lou, H.B.; Wang, X.D.; Debela, T.T.; Cao, Q.P.; Zhang, D.X.; Wang, S.Y.; Wang, C.Z.; Jiang, J.Z.

    2014-04-01

    The local atomic structure evolution in Al2Au alloy during solidification from 2000 K to 400 K was studied by ab initio molecular dynamics simulations and analyzed using the structure factor, pair correlation functions, bond angle distributions, the Honeycutt-Anderson (HA) index and Voronoi tessellation methods. It was found that the icosahedral-like clusters are negligible in the Al2Au stable liquid and supercooled liquid states, and the most abundant clusters are those having HA indices of 131 and 120 or Voronoi indices of < 0,4,4,0 >, < 0,3, 6,0 > and < 0,4,4,2 > with coordination numbers of 8, 9 and 10, respectively. These clusters are similar to the local atomic structures in the CaF2-type Al2Au crystal, revealing the existence of structure heredity between liquid and crystalline phase in Al2Au alloy. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  7. Quantum fluctuations and isotope effects in ab initio descriptions of water

    SciTech Connect (OSTI)

    Wang, Lu; Markland, Thomas E.; Ceriotti, Michele

    2014-09-14

    Isotope substitution is extensively used to investigate the microscopic behavior of hydrogen bonded systems such as liquid water. The changes in structure and stability of these systems upon isotope substitution arise entirely from the quantum mechanical nature of the nuclei. Here, we provide a fully ab initio determination of the isotope exchange free energy and fractionation ratio of hydrogen and deuterium in water treating exactly nuclear quantum effects and explicitly modeling the quantum nature of the electrons. This allows us to assess how quantum effects in water manifest as isotope effects, and unravel how the interplay between electronic exchange and correlation and nuclear quantum fluctuations determine the structure of the hydrogen bond in water.

  8. ab initio Electronic Transport Model with Explicit Solution to the Linearized Boltzmann Transport Equation

    E-Print Network [OSTI]

    Faghaninia, Alireza; Lo, Cynthia S

    2015-01-01

    Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE) either rely heavily on experimental data (i.e., semi-empirical), or utilize simplifying assumptions, such as the constant relaxation time approximation (BTE-cRTA). While these models offer valuable physical insights and accurate calculations of transport properties in some cases, they often lack sufficient accuracy -- particularly in capturing the correct trends with temperature and carrier concentration. We present here a general transport model for calculating low-field electrical drift mobility and Seebeck coefficient of n-type semiconductors, by explicitly considering all relevant physical phenomena (i.e. elastic and inelastic scattering mechanisms). We first rewrite expressions for the rates of elastic scattering mechanisms, in terms of ab initio properties, such as the ban...

  9. Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging

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

    Makhov, Dmitry V.; Saita, Kenichiro; Martinez, Todd J.; Shalashilin, Dmitrii V.

    2014-12-11

    In this study, we report a detailed computational simulation of the photodissociation of pyrrole using the ab initio Multiple Cloning (AIMC) method implemented within MOLPRO. The efficiency of the AIMC implementation, employing train basis sets, linear approximation for matrix elements, and Ehrenfest configuration cloning, allows us to accumulate significant statistics. We calculate and analyze the total kinetic energy release (TKER) spectrum and Velocity Map Imaging (VMI) of pyrrole and compare the results directly with experimental measurements. Both the TKER spectrum and the structure of the velocity map image (VMI) are well reproduced. Previously, it has been assumed that the isotropicmore »component of the VMI arises from long time statistical dissociation. Instead, our simulations suggest that ultrafast dynamics contributes significantly to both low and high energy portions of the TKER spectrum.« less

  10. Hydrogen-Water Mixtures in Giant Planet Interiors Studied with Ab Initio Simulations

    E-Print Network [OSTI]

    Soubiran, Francois

    2015-01-01

    We study water-hydrogen mixtures under planetary interior conditions using ab initio molecular dynamics simulations. We determine the thermodynamic properties of various water-hydrogen mixing ratios at temperatures of 2000 and 6000 K for pressures of a few tens of GPa. These conditions are relevant for ice giant planets and for the outer envelope of the gas giants. We find that at 2000 K the mixture is in a molecular regime, while at 6000 K the dissociation of hydrogen and water is important and affects the thermodynamic properties. We study the structure of the liquid and analyze the radial distribution function. We provide estimates for the transport properties, diffusion and viscosity, based on autocorrelation functions. We obtained viscosity estimates of the order of a few tenths of mPa.s for the conditions under consideration. These results are relevant for dynamo simulations of ice giant planets.

  11. Long- and short-range correlations in the ab-initio no-core shell model

    E-Print Network [OSTI]

    Ionel Stetcu; Bruce R. Barrett; Petr Navratil; James P. Vary

    2006-01-25

    In the framework of the ab-initio no-core shell model (NCSM), we describe the longitudinal-longitudinal distribution function, part of the inclusive (e,e') longitudinal response. In the two-body cluster approximation, we compute the effective operators consistent with the unitary transformation used to obtain the effective Hamiltonian. When short-range correlations are probed, the results display independence from the model space size and length scale. Long-range correlations are more difficult to model in the NCSM and they can be described only by increasing the model space or increasing the cluster size. In order to illustrate the model space independence for short-range observables, we present results for a large set of model spaces for 4He, and in 0-4hw model spaces for 12C.

  12. Ab Initio No Core Shell Model - Recent Results and Further Prospects

    E-Print Network [OSTI]

    James P. Vary; Pieter Maris; Hugh Potter; Mark A. Caprio; Robin Smith; Sven Binder; Angelo Calci; Sebastian Fischer; Joachim Langhammer; Robert Roth; Hasan Metin Aktulga; Esmond Ng; Chao Yang; Dossay Oryspayev; Masha Sosonkina; Erik Saule; Ümit Çatalyürek

    2015-07-16

    There has been significant recent progress in solving the long-standing problems of how nuclear shell structure and collective motion emerge from underlying microscopic inter-nucleon interactions. We review a selection of recent significant results within the ab initio No Core Shell Model (NCSM) closely tied to three major factors enabling this progress: (1) improved nuclear interactions that accurately describe the experimental two-nucleon and three-nucleon interaction data; (2) advances in algorithms to simulate the quantum many-body problem with strong interactions; and (3) continued rapid development of high-performance computers now capable of performing $20 \\times 10^{15}$ floating point operations per second. We also comment on prospects for further developments.

  13. AB INITIO Modeling of Thermomechanical Properties of Mo-Based Alloys for Fossil Energy Conversion

    SciTech Connect (OSTI)

    Ching, Wai-Yim

    2013-12-31

    In this final scientific/technical report covering the period of 3.5 years started on July 1, 2011, we report the accomplishments on the study of thermo-mechanical properties of Mo-based intermetallic compounds under NETL support. These include computational method development, physical properties investigation of Mo-based compounds and alloys. The main focus is on the mechanical and thermo mechanical properties at high temperature since these are the most crucial properties for their potential applications. In particular, recent development of applying ab initio molecular dynamic (AIMD) simulations to the T1 (Mo{sub 5}Si{sub 3}) and T2 (Mo{sub 5}SiB{sub 2}) phases are highlighted for alloy design in further improving their properties.

  14. An ab initio approach to free-energy reconstruction using logarithmic mean force dynamics

    SciTech Connect (OSTI)

    Nakamura, Makoto Obata, Masao; Morishita, Tetsuya; Oda, Tatsuki; Institute of Science and Engineering, Kanazawa University, Kanazawa 920-1192

    2014-05-14

    We present an ab initio approach for evaluating a free energy profile along a reaction coordinate by combining logarithmic mean force dynamics (LogMFD) and first-principles molecular dynamics. The mean force, which is the derivative of the free energy with respect to the reaction coordinate, is estimated using density functional theory (DFT) in the present approach, which is expected to provide an accurate free energy profile along the reaction coordinate. We apply this new method, first-principles LogMFD (FP-LogMFD), to a glycine dipeptide molecule and reconstruct one- and two-dimensional free energy profiles in the framework of DFT. The resultant free energy profile is compared with that obtained by the thermodynamic integration method and by the previous LogMFD calculation using an empirical force-field, showing that FP-LogMFD is a promising method to calculate free energy without empirical force-fields.

  15. An ab initio variationally computed room-temperature line list for SO3

    E-Print Network [OSTI]

    Underwood, Daniel S; Yurchenko, Sergei N

    2013-01-01

    {\\it Ab initio} potential energy and dipole moment surfaces are computed for sulfur trioxide (SO$_3$) at the CCSD(T)-F12b level of theory and appropriate triple-zeta basis sets. These surfaces are fitted and used, with a slight correction for the equilibrium S--O distance, to compute pure rotational and rotation-vibraton spectra of \\sothree\\ using the variational nuclear motion program TROVE. The calculations considered transitions in the region 0--4000 \\cm\\ with rotational states up to J=85. The resulting line list of 349~348~513 transitions is appropriate for modelling room temperature SO3 spectra. Good agreement is found with the observed infrared absorption spectra and the calculations are used to place the measured relative intensities on an absolute scale. A list of 10~878 experimental transitions is provided in a form suitable for inclusion in standard atmospheric and planetary spectroscopic databases.

  16. GPFA-AB_Phase1GeologicReservoirsContentModel10_26_2015.xls

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

    Teresa E. Jordan

    2015-09-30

    This dataset conforms to the Tier 3 Content Model for Geologic Reservoirs Version 1.0. It contains the known hydrocarbon reservoirs within the study area of the GPFA-AB Phase 1 Task 2, Natural Reservoirs Quality Analysis (Project DE-EE0006726). The final values for Reservoir Productivity Index (RPI) and uncertainty (in terms of coefficient of variation, CV) are included. RPI is in units of liters per MegaPascal-second (L/MPa-s), quantified using permeability, thickness of formation, and depth. A higher RPI is more optimal. Coefficient of Variation (CV) is the ratio of the standard deviation to the mean RPI for each reservoir. A lower CV is more optimal. Details on these metrics can be found in the Reservoirs_Methodology_Memo.pdf uploaded to the Geothermal Data Repository Node of the NGDS in October of 2015.

  17. Ab initio study of formation, migration and binding properties of helium-vacancy clusters in aluminum

    SciTech Connect (OSTI)

    Yang, Li; Zu, Xiaotao T.; Gao, Fei

    2008-08-01

    Ab initio calculations based on density functional theory have been performed to study the dissolution and migration of helium, and the stability of small helium-vacancy clusters HenVm (n, m=0 to 4) in aluminum. The results indicate that the octahedral configuration is more stable than the tetrahedral. Interstitial helium atoms are predicted to have attractive interactions and jump between two octahedral sites via an intermediate tetrahedral site with low migration energy of 0.10 eV. The binding energies of an interstitial He atom and an isolated vacancy to a HenVm cluster are also obtained from the calculated formation energies of the clusters. We find that the divacancy and tri--vacancy clusters are not stable, but He atoms can increase the stability of vacancy clusters. The interactions of He atoms with a vacancy are found to be in good agreement with the experimental results.

  18. Selective ion source

    DOE Patents [OSTI]

    Leung, Ka-Ngo (Hercules, CA)

    1996-01-01

    A ion source is described wherein selected ions maybe extracted to the exclusion of unwanted ion species of higher ionization potential. Also described is a method of producing selected ions from a compound, such as P.sup.+ from PH.sub.3. The invention comprises a plasma chamber, an electron source, a means for introducing a gas to be ionized by electrons from the electron source, means for limiting electron energy from the electron source to a value between the ionization energy of the selected ion species and the greater ionization energy of an unwanted ion specie, and means for extracting the target ion specie from the plasma chamber. In one embodiment, the electrons are generated in a plasma cathode chamber immediately adjacent to the plasma chamber. A small extractor draws the electrons from the plasma cathode chamber into the relatively positive plasma chamber. The energy of the electrons extracted in this manner is easily controlled. The invention is particularly useful for doping silicon with P.sup.+, AS.sup.+, and B.sup.+ without the problematic presence of hydrogen, helium, water, or carbon oxide ions. Doped silicon is important for manufacture of semiconductors and semiconductor devices.

  19. Selective ion source

    DOE Patents [OSTI]

    Leung, K.N.

    1996-05-14

    A ion source is described wherein selected ions maybe extracted to the exclusion of unwanted ion species of higher ionization potential. Also described is a method of producing selected ions from a compound, such as P{sup +} from PH{sub 3}. The invention comprises a plasma chamber, an electron source, a means for introducing a gas to be ionized by electrons from the electron source, means for limiting electron energy from the electron source to a value between the ionization energy of the selected ion species and the greater ionization energy of an unwanted ion specie, and means for extracting the target ion specie from the plasma chamber. In one embodiment, the electrons are generated in a plasma cathode chamber immediately adjacent to the plasma chamber. A small extractor draws the electrons from the plasma cathode chamber into the relatively positive plasma chamber. The energy of the electrons extracted in this manner is easily controlled. The invention is particularly useful for doping silicon with P{sup +}, As{sup +}, and B{sup +} without the problematic presence of hydrogen, helium, water, or carbon oxide ions. Doped silicon is important for manufacture of semiconductors and semiconductor devices. 6 figs.

  20. Sealed Radioactive Source Accountability

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

    1991-12-24

    To establish Department of Energy (DOE) interim policy and to provide guidance for sealed radioactive source accountability. The directive does not cancel any directives. Extended by DOE N 5400.10 to 12-24-93 & Extended by DOE N 5400.12 to 12-24-94.

  1. Sealed Radioactive Source Accountability

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

    1994-12-22

    This Notice extends DOE N 5400.9, Sealed Radioactive Source Accountability, of 12-24-91, until 12-24-95, unless sooner superseded or rescinded. The contents of DOE N 5400.9 will be updated and incorporated in the revised DOE O 5480.11, Radiation Protection for Occupational Workers.

  2. Self-oscillating AB diblock copolymer developed by post modification strategy

    SciTech Connect (OSTI)

    Ueki, Takeshi E-mail: ryo@cross.t.u-tokyo.ac.jp; Onoda, Michika; Tamate, Ryota; Yoshida, Ryo E-mail: ryo@cross.t.u-tokyo.ac.jp; Shibayama, Mitsuhiro

    2015-06-15

    We prepared AB diblock copolymer composed of hydrophilic poly(ethylene oxide) segment and self-oscillating polymer segment. In the latter segment, ruthenium tris(2,2?-bipyridine) (Ru(bpy){sub 3}), a catalyst of the Belousov-Zhabotinsky reaction, is introduced into the polymer architecture based on N-isopropylacrylamide (NIPAAm). The Ru(bpy){sub 3} was introduced into the polymer segment by two methods; (i) direct random copolymerization (DP) of NIPAAm and Ru(bpy){sub 3} vinyl monomer and (ii) post modification (PM) of Ru(bpy){sub 3} with random copolymer of NIPAAm and N-3-aminopropylmethacrylamide. For both the diblock copolymers, a bistable temperature region (the temperature range; ?T{sub m}), where the block copolymer self-assembles into micelle at reduced Ru(bpy){sub 3}{sup 2+} state whereas it breaks-up into individual polymer chain at oxidized Ru(bpy){sub 3}{sup 3+} state, monotonically extends as the composition of the Ru(bpy){sub 3} increases. The ?T{sub m} of the block copolymer prepared by PM is larger than that by DP. The difference in ?T{sub m} is rationalized from the statistical analysis of the arrangement of the Ru(bpy){sub 3} moiety along the self-oscillating segments. By using the PM method, the well-defined AB diblock copolymer having ?T{sub m} (ca. 25?°C) large enough to cause stable self-oscillation can be prepared. The periodic structural transition of the diblock copolymer in a dilute solution ([Polymer]?=?0.1?wt.?%) is closely investigated in terms of the time-resolved dynamic light scattering technique at constant temperature in the bistable region. A macroscopic viscosity oscillation of a concentrated polymer solution (15?wt.?%) coupled with the periodic microphase separation is also demonstrated.

  3. Ab initio Bogoliubov coupled cluster theory for open-shell nuclei

    E-Print Network [OSTI]

    Angelo Signoracci; Thomas Duguet; Gaute Hagen; Gustav Jansen

    2014-12-08

    Ab initio many-body methods address closed-shell nuclei up to mass A ~ 130 on the basis of realistic two- and three-nucleon interactions. Several routes to address open-shell nuclei are currently under investigation, including ideas which exploit spontaneous symmetry breaking. Singly open-shell nuclei can be efficiently described via the sole breaking of $U(1)$ gauge symmetry associated with particle number conservation, to account for their superfluid character. The present work formulates and applies Bogoliubov coupled cluster (BCC) theory, which consists of representing the exact ground-state wavefunction of the system as the exponential of a quasiparticle excitation cluster operator acting on a Bogoliubov reference state. Equations for the ground-state energy and cluster amplitudes are derived at the singles and doubles level (BCCSD) both algebraically and diagrammatically. The formalism includes three-nucleon forces at the normal-ordered two-body level. The first BCC code is implemented in $m$-scheme, which will eventually permit the treatment of doubly open-shell nuclei. Proof-of-principle calculations in an $N_{\\text{max}}=6$ spherical harmonic oscillator basis are performed for $^{16,18,20}$O, $^{18}$Ne, $^{20}$Mg in the BCCD approximation with a chiral two-nucleon interaction, comparing to results obtained in standard coupled cluster theory when applicable. The breaking of $U(1)$ symmetry is monitored by computing the variance associated with the particle-number operator. The newly developed many-body formalism increases the potential span of ab initio calculations based on single-reference coupled cluster techniques tremendously, i.e. potentially to reach several hundred additional mid-mass nuclei. The new formalism offers a wealth of potential applications and further extensions dedicated to the description of ground and excited states of open-shell nuclei.

  4. Source waters Several factors influence the selection of source

    E-Print Network [OSTI]

    1 Source waters Several factors influence the selection of source waters to feed desalination plants: the location of the plant in relation to water sources available, the deliv- ery destination of the treated water, the quality of the source water, the pretreatment options available, and the ecological

  5. Fire patterns in central semiarid Argentina M.A. Fischer a,*, C.M. Di Bella a,b

    E-Print Network [OSTI]

    Nacional de San Luis, Universidad

    Fire patterns in central semiarid Argentina M.A. Fischer a,*, C.M. Di Bella a,b , E.G. Jobbágy b Cabañas S/N, Hurlingham (1686), Buenos Aires, Argentina b Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Argentina c Grupo de Estudios Ambientales e IMASL, Universidad Nacional de San

  6. User Interface Evaluation : is it Still Usable? Christelle Farenc a , Philippe Palanque a,b , Jean Vanderdonckt c

    E-Print Network [OSTI]

    Farenc, Christelle

    AND EVALUATION WITH ERGONOMIC RULES 3. Such a UI evaluation is performed not only in order to evaluate the UIUser Interface Evaluation : is it Still Usable? Christelle Farenc a , Philippe Palanque a,b , Jean ergonomics, visual design) have brought substantive results to im­ prove the user friendliness of user

  7. An ab initio quasi-classical direct dynamics investigation of the product energy distributionsF + C

    E-Print Network [OSTI]

    Schlegel, H. Bernhard

    An ab initio quasi-classical direct dynamics investigation of the product energy distributionsF + C at the UHF/6È31G* level of theory, was used to investigate product energy distributions of the collisionF ] C 2 H 4 ] C 2 H 3 F ] H reaction. The shifting and broadening of the product translational energy

  8. Ankle fixation need not increase the energetic cost of human walking Matthew T. Vanderpool a,b

    E-Print Network [OSTI]

    ,b , Steven H. Collins b , Arthur D. Kuo a,b,* a Department of Biomedical Engineering, University of Michigan, it is perhaps curious that ankle fixation causes energy expenditure to increase by as little as 10%. The intact and active work. This effort may be energetically costly despite resulting in relatively little network over

  9. Modeling mesoscale eddies V.M. Canuto a,b,*, M.S. Dubovikov a,c

    E-Print Network [OSTI]

    Modeling mesoscale eddies V.M. Canuto a,b,*, M.S. Dubovikov a,c a Goddard Institute for Spaces November 2003 Available online 6 December 2003 Abstract Mesoscale eddies are not resolved in coarse, no generally accepted model exists for the former; in the latter case, mesoscales are modeled with a bolus

  10. Recent aeolian dune change on Mars M.C. Bourke a,b,, K.S. Edgett c

    E-Print Network [OSTI]

    Bourke, Mary C.

    Recent aeolian dune change on Mars M.C. Bourke a,b,, K.S. Edgett c , B.A. Cantor c a Planetary 2007 Abstract Previous comparisons of Martian aeolian dunes in satellite images have not detected any change in dune form or position. Here, we show dome dunes in the north polar region that shrank

  11. Crystallization and preliminary X-ray analysis of AbsC, a novel regulator of antibiotic production in Streptomyces coelicolor

    SciTech Connect (OSTI)

    Stevenson, Clare E. M.; Kock, Holger; Mootien, Saraspadee; Davies, Sîan C.; Bibb, Mervyn J.; Lawson, David M.

    2007-03-01

    A novel regulator of antibiotic production in S. coelicolor, AbsC, has been crystallized in space group P2{sub 1}2{sub 1}2{sub 1}. X-ray data to 2.25 Å resolution were collected on station PX 14.1 at Daresbury. Crystals of recombinant AbsC (subunit MW = 18 313 Da; 158 amino acids), a novel regulator of antibiotic production from Streptomyces coelicolor, were grown by vapour diffusion. The protein crystallizes in space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 43.53, b = 121.30, c = 143.75 Å. Native data to a resolution of 2.25 Å were recorded at station PX 14.1 (Daresbury) from a single crystal. Preliminary analysis of these data suggests that the asymmetric unit contains four copies of the AbsC monomer, giving an estimated solvent content of 47.0%. AbsC belongs to the MarR family of proteins that mediate ligand-responsive transcriptional control.

  12. Direct ab initio dynamics studies of proton transfer in hydrogen-bond Robert L. Bell and Thanh N. Truong

    E-Print Network [OSTI]

    Truong, Thanh N.

    theoreti- cal studies, including ab initio electronic structure6-lo and semiclassical dynamical1 information for dynamical calculations. Due to the computational advantage of DFT methods, prospects theory (MP2) or better for some cases. Semiclassical dynamics calculations1'-*3 had focused

  13. Approximate ab initio calculations of electronic structure of amorphous silicon M. Durandurdu, D. A. Drabold, and N. Mousseau

    E-Print Network [OSTI]

    Drabold, David

    Approximate ab initio calculations of electronic structure of amorphous silicon M. Durandurdu, D. A the right electronic picture of a-Si is the limited availability of high quality structural mod- els. Models that structural and dynamical characteristics of such a model are reliable. This is because some

  14. A VUV Photoionization and Ab Initio Determination of the Ionization Energy of a Gas-Phase Sugar (Deoxyribose)

    E-Print Network [OSTI]

    Krylov, Anna I.

    , the structure that dominates in the gas phase, were calculated using high-level electronic structure methods with electronic structure calculations of vertical and adiabatic ionization energies (VIEs and AIEs). Ab initio molecular dynamics calculations. The experimental threshold 9.4 (±0.05) eV for neutral water elimination

  15. Excited electron dynamics in bulk ytterbium: Time-resolved two-photon photoemission and GW+T ab initio calculations

    E-Print Network [OSTI]

    Aeschlimann, Martin

    relaxation dynamics is played by the electronic structure of the system close to the Fermi level. For exampleExcited electron dynamics in bulk ytterbium: Time-resolved two-photon photoemission and GW+T ab November 2007 The excited electron dynamics in ytterbium is investigated by means of the time-resolved two

  16. Hydrogen-doped cubic diamond and the crystal structure of n-diamond Bin Wen a,b,

    E-Print Network [OSTI]

    Melnik, Roderick

    Hydrogen-doped cubic diamond and the crystal structure of n-diamond Bin Wen a,b, , Roderick Melnik. In particular, hydrogen concen- tration dependent elastic constants and lattice parameters for the H-doped diamond have been analyzed. Our results indicate that when the hydrogen concentration is less than 19 at

  17. The gamma-ray burst monitor for Lobster-ISS L. Amati a,*, F. Frontera a,b

    E-Print Network [OSTI]

    Bogliolo, Alessandro

    The gamma-ray burst monitor for Lobster-ISS L. Amati a,*, F. Frontera a,b , N. Auricchio a , E telescope is flanked by a Gamma Ray Burst Monitor, with the minimum requirement of recognizing true GRBs. Published by Elsevier Ltd. All rights reserved. Keywords: Gamma-rays: bursts; X-rays: transients

  18. Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations

    E-Print Network [OSTI]

    Ceder, Gerbrand

    Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio (>700 Wh/kg) cathode materials for lithium-ion batteries. 1 Introduction The widespread use of lithium compounds. Testing previously known lithium-containing compounds for battery properties can lead

  19. Noise modeling concepts in nonlinear state estimation S. Kols a,b,*, B.A. Foss a

    E-Print Network [OSTI]

    Foss, Bjarne A.

    Noise modeling concepts in nonlinear state estimation S. Kolås a,b,*, B.A. Foss a , T.S. Schei c Keywords: Nonlinear state estimation Constrained nonlinear systems Noise modeling Joint UKF a b s t r a c study noise modeling based on a hypothesis that it is important to model noise correctly. In practice

  20. Ab initio study of styrene and -methyl styrene in the ground and in the two lowest excited singlet states

    E-Print Network [OSTI]

    Haas, Yehuda

    Ab initio study of styrene and -methyl styrene in the ground and in the two lowest excited singlet; accepted 28 March 1995 The structure and vibrational frequencies of styrene and trans- -methyl styrene treating molecules as large as styrene. High resolution fluorescence excitation and resonant en- hanced

  1. Ab initio molecular dynamics studies of the photodissociation of formaldehyde, H2CO\\H2CO: Direct classical trajectory

    E-Print Network [OSTI]

    Schlegel, H. Bernhard

    Ab initio molecular dynamics studies of the photodissociation of formaldehyde, H2CO\\H2¿CO: Direct The photodissociation of formaldehyde has been studied extensively, both experimentally1­13 and theoretically.14­29 Excitation of formaldehyde to the S1 state is followed by rapid internal conversion to the S0 state

  2. 2 Accessibility of pores in coal to methane and carbon dioxide 3 Yuri B. Melnichenko a,b,

    E-Print Network [OSTI]

    1 2 Accessibility of pores in coal to methane and carbon dioxide 3 Yuri B. Melnichenko a,b, , Lilin inorganic and organic solutes (including 56 hydrocarbons) and gaseous species (e.g. carbon dioxide, CO2, the chemical and physical properties of the solid and fluid phases collectively dictate how fluid 35molecules

  3. Nano/Microfluidics for diagnosis of infectious diseases in developing countries Won Gu Lee a,b,1

    E-Print Network [OSTI]

    Demirci, Utkan

    Nano/Microfluidics for diagnosis of infectious diseases in developing countries Won Gu Lee a,b,1 history: Received 15 June 2009 Accepted 14 September 2009 Available online 30 November 2009 Keywords: Nano/Microfluidics Infectious diseases HIV/AIDS Point-of-care Diagnostics Global health Nano/Microfluidic technologies

  4. Study of the low-lying electronic states of CCO by photoelectron spectroscopy of CCO and ab initio calculations

    E-Print Network [OSTI]

    Continetti, Robert E.

    Study of the low-lying electronic states of CCO by photoelectron spectroscopy of CCO and ab initio , studies of the energetics and dynamics of these molecules are of continued interest. Pho- toelectron spectroscopy of negative ions provides a powerful method for studying the structure and energetics of both

  5. By: Leif Karlsson, ESAB AB, Gothenburg. The large and steadily growing family of stainless steels can offer unique combina-

    E-Print Network [OSTI]

    Cambridge, University of

    By: Leif Karlsson, ESAB AB, Gothenburg. The large and steadily growing family of stainless steels into an increasing number of applications. This review briefly summarises the history of stainless steel development and discusses selected weldability aspects. Examples from ESAB's long history of stainless steel welding

  6. Solar wind structure in the outer heliosphere J.D. Richardson a,b,*, Y. Liu a

    E-Print Network [OSTI]

    California at Berkeley, University of

    Solar wind structure in the outer heliosphere J.D. Richardson a,b,*, Y. Liu a , C. Wang b a Kavli form 8 February 2007; accepted 27 March 2007 Abstract A solar wind parcel evolves as it moves outward, interacting with the solar wind plasma ahead of and behind it and with the inter- stellar neutrals

  7. Oil palm vegetation liquor: a new source of phenolic bioactives

    E-Print Network [OSTI]

    Sambandan, T. G.

    Waste from agricultural products represents a disposal liability, which needs to be addressed. Palm oil is the most widely traded edible oil globally, and its production generates 85 million tons of aqueous by-products ...

  8. The Implementation of California AB 32 and its Impact on Wholesale Electricity Markets

    E-Print Network [OSTI]

    Bushnell, Jim B

    2007-01-01

    The problem is that many power purchase arrangements can befrom which they “purchase” power. This kind of tracking “their rights to purchase power from “dirtier” import sources

  9. Calibrated vapor generator source

    DOE Patents [OSTI]

    Davies, J.P.; Larson, R.A.; Goodrich, L.D.; Hall, H.J.; Stoddard, B.D.; Davis, S.G.; Kaser, T.G.; Conrad, F.J.

    1995-09-26

    A portable vapor generator is disclosed that can provide a controlled source of chemical vapors, such as, narcotic or explosive vapors. This source can be used to test and calibrate various types of vapor detection systems by providing a known amount of vapors to the system. The vapor generator is calibrated using a reference ion mobility spectrometer. A method of providing this vapor is described, as follows: explosive or narcotic is deposited on quartz wool, placed in a chamber that can be heated or cooled (depending on the vapor pressure of the material) to control the concentration of vapors in the reservoir. A controlled flow of air is pulsed over the quartz wool releasing a preset quantity of vapors at the outlet. 10 figs.

  10. Calibrated vapor generator source

    DOE Patents [OSTI]

    Davies, John P. (Idaho Falls, ID); Larson, Ronald A. (Idaho Falls, ID); Goodrich, Lorenzo D. (Shelley, ID); Hall, Harold J. (Idaho Falls, ID); Stoddard, Billy D. (Idaho Falls, ID); Davis, Sean G. (Idaho Falls, ID); Kaser, Timothy G. (Idaho Falls, ID); Conrad, Frank J. (Albuquerque, NM)

    1995-01-01

    A portable vapor generator is disclosed that can provide a controlled source of chemical vapors, such as, narcotic or explosive vapors. This source can be used to test and calibrate various types of vapor detection systems by providing a known amount of vapors to the system. The vapor generator is calibrated using a reference ion mobility spectrometer. A method of providing this vapor is described, as follows: explosive or narcotic is deposited on quartz wool, placed in a chamber that can be heated or cooled (depending on the vapor pressure of the material) to control the concentration of vapors in the reservoir. A controlled flow of air is pulsed over the quartz wool releasing a preset quantity of vapors at the outlet.

  11. Filtered cathodic arc source

    DOE Patents [OSTI]

    Falabella, S.; Sanders, D.M.

    1994-01-18

    A continuous, cathodic arc ion source coupled to a macro-particle filter capable of separation or elimination of macro-particles from the ion flux produced by cathodic arc discharge is described. The ion source employs an axial magnetic field on a cathode (target) having tapered sides to confine the arc, thereby providing high target material utilization. A bent magnetic field is used to guide the metal ions from the target to the part to be coated. The macro-particle filter consists of two straight solenoids, end to end, but placed at 45[degree] to one another, which prevents line-of-sight from the arc spot on the target to the parts to be coated, yet provides a path for ions and electrons to flow, and includes a series of baffles for trapping the macro-particles. 3 figures.

  12. Evaluated teletherapy source library

    DOE Patents [OSTI]

    Cox, Lawrence J. (Los Alamos, NM); Schach Von Wittenau, Alexis E. (Livermore, CA)

    2000-01-01

    The Evaluated Teletherapy Source Library (ETSL) is a system of hardware and software that provides for maintenance of a library of useful phase space descriptions (PSDs) of teletherapy sources used in radiation therapy for cancer treatment. The PSDs are designed to be used by PEREGRINE, the all-particle Monte Carlo dose calculation system. ETSL also stores other relevant information such as monitor unit factors (MUFs) for use with the PSDs, results of PEREGRINE calculations using the PSDs, clinical calibration measurements, and geometry descriptions sufficient for calculational purposes. Not all of this information is directly needed by PEREGRINE. It also is capable of acting as a repository for the Monte Carlo simulation history files from which the generic PSDs are derived.

  13. High current ion source

    DOE Patents [OSTI]

    Brown, Ian G. (1088 Woodside Rd., Berkeley, CA 94708); MacGill, Robert A. (645 Kern St., Richmond, CA 94805); Galvin, James E. (2 Commodore Dr. #276, Emeryville, CA 94608)

    1990-01-01

    An ion source utilizing a cathode and anode for producing an electric arc therebetween. The arc is sufficient to vaporize a portion of the cathode to form a plasma. The plasma leaves the generation region and expands through another regon. The density profile of the plasma may be flattened using a magnetic field formed within a vacuum chamber. Ions are extracted from the plasma to produce a high current broad on beam.

  14. The European Spallation Source

    SciTech Connect (OSTI)

    Peggs, S; Eshraqi, M; Hahn, H; Jansson, A; Lindroos, M; Ponton, A; Rathsman, K; Trahern, G; Bousso, S; Calaga, R; Devanz, G; Duperrier, R D; Eguia, J; Gammino, S; Moller, S P; Oyon, C; Ruber, R.J.M.Y.

    2011-03-01

    The European Spallation Source (ESS) is a 5 MW, 2.5 GeV long pulse proton linac, to be built and commissioned in Lund, Sweden. The Accelerator Design Update (ADU) project phase is under way, to be completed at the end of 2012 by the delivery of a Technical Design Report. Improvements to the 2003 ESS design will be summarised, and the latest design activities will be presented.

  15. BERNAS ION SOURCE DISCHARGE SIMULATION

    SciTech Connect (OSTI)

    RUDSKOY,I.; KULEVOY, T.V.; PETRENKO, S.V.; KUIBEDA, R.P.; SELEZNEV, D.N.; PERSHIN, V.I.; HERSHCOVITCH, A.; JOHNSON, B.M.; GUSHENETS, V.I.; OKS, E.M.; POOLE, H.J.

    2007-08-26

    The joint research and development program is continued to develop steady-state ion source of decaborane beam for ion implantation industry. Bemas ion source is the wide used ion source for ion implantation industry. The new simulation code was developed for the Bemas ion source discharge simulation. We present first results of the simulation for several materials interested in semiconductors. As well the comparison of results obtained with experimental data obtained at the ITEP ion source test-bench is presented.

  16. Improved negative ion source

    DOE Patents [OSTI]

    Delmore, J.E.

    1984-05-01

    A method and apparatus for providing a negative ion source accelerates electrons away from a hot filament electron emitter into a region of crossed electric and magnetic fields arranged in a magnetron configuration. During a portion of the resulting cycloidal path, the electron velocity is reduced below its initial value. The electron accelerates as it leaves the surface at a rate of only slightly less than if there were no magnetic field, thereby preventing a charge buildup at the surface of the emitter. As the electron traverses the cycloid, it is decelerated during the second, third, and fourth quadrants, then reaccelerated as it approaches the end of the fourth quadrant to regain its original velocity. The minimum velocity occurs during the fourth quadrant, and corresponds to an electron temperature of 200 to 500/sup 0/C for the electric and magnetic fields commonly encountered in the ion sources of magnetic sector mass spectrometers. An ion source using the above-described thermalized electrons is also disclosed.

  17. Negative ion source

    DOE Patents [OSTI]

    Delmore, James E. (Idaho Falls, ID)

    1987-01-01

    A method and apparatus for providing a negative ion source accelerates electrons away from a hot filament electron emitter into a region of crossed electric and magnetic fields arranged in a magnetron configuration. During a portion of the resulting cycloidal path, the electron velocity is reduced below its initial value. The electron accelerates as it leaves the surface at a rate of only slightly less than if there were no magnetic field, thereby preventing a charge buildup at the surface of the emitter. As the electron traverses the cycloid, it is decelerated during the second, third, and fourth quadrants, then reeccelerated as it approaches the end of the fourth quadrant to regain its original velocity. The minimum velocity occurs during the fourth quadrant, and corresponds to an electron temperature of 200.degree. to 500.degree. for the electric and magnetic fields commonly encountered in the ion sources of magnetic sector mass spectrometers. An ion source using the above-described thermalized electrons is also disclosed.

  18. Source Selection Guide | Department of Energy

    Energy Savers [EERE]

    Source Selection Guide Source Selection Guide Source Selection Guide More Documents & Publications Source Selection Guide Attachment FY2011-77 OPAM Policy Flash 2011-77 Attachment...

  19. A monitoring campaign for Luhman 16AB. I. Detection of resolved near-infrared spectroscopic variability

    SciTech Connect (OSTI)

    Burgasser, Adam J.; Gillon, Michaël; Jehin, E.; Delrez, L.; Opitom, C.; Faherty, Jacqueline K.; Radigan, Jacqueline; Triaud, Amaury H. M. J.; Plavchan, Peter

    2014-04-10

    We report resolved near-infrared spectroscopic monitoring of the nearby L dwarf/T dwarf binary WISE J104915.57–531906.1AB (Luhman 16AB), as part of a broader campaign to characterize the spectral energy distribution and temporal variability of this system. A continuous 45 minute sequence of low-resolution IRTF/SpeX data spanning 0.8-2.4 ?m were obtained, concurrent with combined-light optical photometry with ESO/TRAPPIST. Our spectral observations confirm the flux reversal of this binary, and we detect a wavelength-dependent decline in the relative spectral fluxes of the two components coincident with a decline in the combined-light optical brightness of the system over the course of the observation. These data are successfully modeled as a combination of achromatic (brightness) and chromatic (color) variability in the T0.5 Luhman 16B, consistent with variations in overall cloud opacity; and no significant variability was found in L7.5 Luhman 16A, consistent with recent resolved photometric monitoring. We estimate a peak-to-peak amplitude of 13.5% at 1.25 ?m over the full light curve. Using a simple two-spot brightness temperature model for Luhman 16B, we infer an average cold covering fraction of ?30%-55%, varying by 15%-30% over a rotation period assuming a ?200-400 K difference between hot and cold regions. We interpret these variations as changes in the covering fraction of a high cloud deck and corresponding 'holes' which expose deeper, hotter cloud layers, although other physical interpretations are possible. A Rhines scale interpretation for the size of the variable features explains an apparent correlation between period and amplitude for Luhman 16B and the variable T dwarfs SIMP 0136+0933 and 2MASS J2139+0220, and predicts relatively fast winds (1-3 km s{sup –1}) for Luhman 16B consistent with light curve evolution on an advective time scale (1-3 rotation periods). The strong variability observed in this flux reversal brown dwarf pair supports the model of a patchy disruption of the mineral cloud layer as a universal feature of the L dwarf/T dwarf transition.

  20. Microstructure and hydriding studies of AB/sub 5/ hydrogen storage compounds. Final report

    SciTech Connect (OSTI)

    Goodell, P.D.; Sandrock, G.D.; Huston, E.L.

    1980-01-01

    New data on the microstructure, pressure-composition-temperature, and absorption/desorption kinetics of AB/sub 5/ metal hydrides are presented. The most significant result to emerge from the investigation is that many of the AB/sub 5/ metal hydrides, especially the LaNi/sub 5/ related materials, show instantaneous absorption and desorption response in proportion to the amount of cooling or heating which is provided. Eight categories of materials were studied: reference alloys (LaNi/sub 5/, LaNi/sub 4/ /sub 9/Al/sub 0/ /sub 1/, LaNi/sub 3/Co/sub 2/); Ni second phase particles (LaNi/sub 5/ /sub 67/, LaNi/sub 7/, LaNi/sub 11/ /sub 3/); eutectoid microstructure (SmCo/sub 5/); other second phases (LaNi/sub 3/ /sub 8/Fe/sub 1/ /sub 2/, LaNi/sub 3/ /sub 5/Cr/sub 1/ /sub 5/, LaNi/sub 4/Cr, LaNi/sub 4/Si; LaNi/sub 4/Sn, MNi/sub 4/Sn, MNi/sub 4/ /sub 3/Al/sub 0/ /sub 7/); substitutional elements (LaNi/sub 4/Cu, LaNi/sub 4/ /sub 5/Pd/sub 0/ /sub 5/, LaNi/sub 4/ /sub 7/Sn/sub 0/ /sub 3/, LaNi/sub 4/ /sub 8/C/sub 0/ /sub 2/, MNi/sub 4/ /sub 3/Mn/sub 0/ /sub 7/); surface active elements (LaNi/sub 4/ /sub 8/B/sub 0/ /sub 2/, LaNi/sub 4/ /sub 9/S/sub 0/ /sub 1/, LaNi/sub 4/ /sub 9/Se/sub 0/ /sub 1/); large diameter atom substitutions (Mg/sub 0/ /sub 1/La/sub 0/ /sub 9/Ni/sub 5/, Ca/sub 0/ /sub 2/La/sub 0/ /sub 8/Ni/sub 5/, Sr/sub 0/ /sub 2/La/sub 0/ /sub 8/Ni/sub 5/, Ba/sub 0/ /sub 2/La/sub 0/ /sub 8/Ni/sub 5/); other compositions (LaNi/sub 3/); and Pd plating (electroless plated samples and mechanically alloyed specimens).

  1. Administered activity and metastatic cure probability during radioimmunotherapy of ovarian cancer in nude mice with {sup 211}At-MX35 F(ab'){sub 2}

    SciTech Connect (OSTI)

    Elgqvist, Joergen . E-mail: jorgen.elgqvist@radfys.gu.se; Andersson, Hakan; Bernhardt, Peter; Baeck, Tom; Claesson, Ingela; Hultborn, Ragnar; Jensen, Holger; Johansson, Bengt R.; Lindegren, Sture; Olsson, Marita; Palm, Stig; Warnhammar, Elisabet; Jacobsson, Lars

    2006-11-15

    Purpose: To elucidate the therapeutic efficacy of {alpha}-radioimmunotherapy of ovarian cancer in mice. This study: (i) estimated the minimum required activity (MRA), giving a reasonable high therapeutic efficacy; and (ii) calculated the specific energy to tumor cell nuclei and the metastatic cure probability (MCP) using various assumptions regarding monoclonal-antibody (mAb) distribution in measured tumors. The study was performed using the {alpha}-particle emitter Astatine-211 ({sup 211}At) labeled to the mAb MX35 F(ab'){sub 2}. Methods and Materials: Animals were inoculated intraperitoneally with {approx}1 x 10{sup 7} cells of the cell line NIH:OVCAR-3. Four weeks later animals were treated with 25, 50, 100, or 200 kBq {sup 211}At-MX35 F(ab'){sub 2} (n = 74). Another group of animals was treated with a nonspecific mAb: 100 kBq {sup 211}At-Rituximab F(ab'){sub 2} (n = 18). Eight weeks after treatment the animals were sacrificed and presence of macro- and microscopic tumors and ascites was determined. An MCP model was developed and compared with the experimentally determined tumor-free fraction (TFF). Results: When treatment was given 4 weeks after cell inoculation, the TFFs were 25%, 22%, 50%, and 61% after treatment with 25, 50, 100, or 200 kBq {sup 211}At-MX35 F(ab'){sub 2}, respectively, the specific energy to irradiated cell nuclei varying between {approx}2 and {approx}400 Gy. Conclusion: As a significant increase in the therapeutic efficacy was observed between the activity levels of 50 and 100 kBq (TFF increase from 22% to 50%), the conclusion was that the MRA is {approx}100 kBq {sup 211}At-MX35 F(ab'){sub 2}. MCP was most consistent with the TFF when assuming a diffusion depth of 30 {mu}m of the mAbs in the tumors.

  2. Sources of tritium

    SciTech Connect (OSTI)

    Phillips, J.E.; Easterly, C.E.

    1980-12-01

    A review of tritium sources is presented. The tritium production and release rates are discussed for light water reactors (LWRs), heavy water reactors (HWRs), high temperature gas cooled reactors (HTGRs), liquid metal fast breeder reactors (LMFBRs), and molten salt breeder reactors (MSBRs). In addition, release rates are discussed for tritium production facilities, fuel reprocessing plants, weapons detonations, and fusion reactors. A discussion of the chemical form of the release is included. The energy producing facilities are ranked in order of increasing tritium production and release. The ranking is: HTGRs, LWRs, LMFBRs, MSBRs, and HWRs. The majority of tritium has been released in the form of tritiated water.

  3. Compact ion accelerator source

    DOE Patents [OSTI]

    Schenkel, Thomas; Persaud, Arun; Kapadia, Rehan; Javey, Ali

    2014-04-29

    An ion source includes a conductive substrate, the substrate including a plurality of conductive nanostructures with free-standing tips formed on the substrate. A conductive catalytic coating is formed on the nanostructures and substrate for dissociation of a molecular species into an atomic species, the molecular species being brought in contact with the catalytic coating. A target electrode placed apart from the substrate, the target electrode being biased relative to the substrate with a first bias voltage to ionize the atomic species in proximity to the free-standing tips and attract the ionized atomic species from the substrate in the direction of the target electrode.

  4. Photon Source Parameters

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass mapSpeeding access| DepartmentPeerFederal FleetUp in thePhoton Source Parameters Print

  5. Photon Source Parameters

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass mapSpeeding access| DepartmentPeerFederal FleetUp in thePhoton Source Parameters

  6. Heat Source Lire,

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would likeUniverse (Journalvivo Low-DoseOptions for AccidentalHealth, Safety,FOIAHeatSource

  7. Photon Source Parameters

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJesseworkSURVEYI/OPerformance andAreaPhotoinduced electron transferPhoton Source

  8. OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report appeNDIX F

    E-Print Network [OSTI]

    OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report ­ appeNDIX F presentation;OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report ­ appeNDIX F 2 #12;OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report ­ appeNDIX F 3 #12;OctOber 2011 | ArgOnne n

  9. OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report appeNDIX G

    E-Print Network [OSTI]

    OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report ­ appeNDIX G presentation & Associates, LLC 1 #12;OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report ­ appeNDIX G 2 #12;OctOber 2011 | ArgOnne nAtiOnAl lAbOrAtOry NG Workshop summary report ­ appeNDIX G 3 #12;Oct

  10. Characterizing the AB Doradus moving group via high-resolution spectroscopy and kinematic traceback

    SciTech Connect (OSTI)

    McCarthy, Kyle; Wilhelm, Ronald J.

    2014-10-01

    We present a detailed analysis of 10 proposed F and G members of the nearby, young moving group AB Doradus (ABD). Our sample was obtained using the 2.7 m telescope at the McDonald Observatory with the coude echelle spectrograph, achieving R ? 60,000 and signal-to-noise ratio ?200. We derive spectroscopic T {sub eff}, log(g), [Fe/H], and microturbulance (v{sub t} ) using a bootstrap method of the TGVIT software resulting in typical errors of 33K in T {sub eff}, 0.08 dex in log(g), 0.03 dex in [Fe/H], and 0.13 km s{sup –1} in v{sub t} . Characterization of the ABD sample is performed in three ways: (1) chemical homogeneity, (2) kinematic traceback, and (3) isochrone fitting. We find the average metal abundance is [M/H] = –0.03 ± 0.06 with a traceback age of 125 Myr. Our stars were fit to three different evolutionary models and we found that the best match to our ABD sample is the YREC [M/H] = –0.1 model. In our sample of 10 stars, we identify 1 star that is a probable non-member, 3 enigmatic stars, and 6 stars with confirmed membership. We also present a list of chemically coherent stars from this study and the Barenfeld et al. study.

  11. Ab-initio calculation of the photonuclear cross section of $^{10}$B

    E-Print Network [OSTI]

    M. K. G. Kruse; W. E. Ormand; C. W. Johnson

    2015-02-11

    We present for the first-time the photonuclear cross section of $^{10}$B calculated within the ab-initio No Core Shell Model framework. Realistic two-nucleon (NN) chiral forces up to next-to-next-to-next-order (N3LO), which have been softened by the similarity renormalization group method (SRG) to $\\lambda=2.02$ fm$^{-1}$, were utilized. The electric-dipole response function is calculated using the Lanczos method. The effects of the continuum were accounted for by including neutron escape widths derived from R-matrix theory. The calculated cross section agrees well with experimental data in terms of structure as well as in absolute peak height, $\\sigma_{\\rm max}=4.85~{\\rm mb}$ at photon energy $\\omega=23.61~{\\rm MeV}$, and integrated cross section $85.36\\, {\\rm MeV \\cdotp mb}$. We test the Brink hypothesis by calculating the electric-dipole response for the first five positive-parity states in $^{10}$B and verify that dipole excitations built upon the ground- and excited states have similar characteristics.

  12. Ab Initio Enhanced calphad Modeling of Actinide-Rich Nuclear Fuels

    SciTech Connect (OSTI)

    Morgan, Dane; Yang, Yong Austin

    2013-10-28

    The process of fuel recycling is central to the Advanced Fuel Cycle Initiative (AFCI), where plutonium and the minor actinides (MA) Am, Np, and Cm are extracted from spent fuel and fabricated into new fuel for a fast reactor. Metallic alloys of U-Pu-Zr-MA are leading candidates for fast reactor fuels and are the current basis for fast spectrum metal fuels in a fully recycled closed fuel cycle. Safe and optimal use of these fuels will require knowledge of their multicomponent phase stability and thermodynamics (Gibbs free energies). In additional to their use as nuclear fuels, U-Pu-Zr-MA contain elements and alloy phases that pose fundamental questions about electronic structure and energetics at the forefront of modern many-body electron theory. This project will validate state-of-the-art electronic structure approaches for these alloys and use the resulting energetics to model U-Pu-Zr-MA phase stability. In order to keep the work scope practical, researchers will focus on only U-Pu-Zr-{Np,Am}, leaving Cm for later study. The overall objectives of this project are to: Provide a thermodynamic model for U-Pu-Zr-MA for improving and controlling reactor fuels; and, Develop and validate an ab initio approach for predicting actinide alloy energetics for thermodynamic modeling.

  13. Ferromagnetic ordering of Cr and Fe doped p-type diamond: An ab initio study

    SciTech Connect (OSTI)

    Benecha, E. M.; Lombardi, E. B.

    2014-02-21

    Ferromagnetic ordering of transition metal dopants in semiconductors holds the prospect of combining the capabilities of semiconductors and magnetic systems in single hybrid devices for spintronic applications. Various semiconductors have so far been considered for spintronic applications, but low Curie temperatures have hindered room temperature applications. We report ab initio DFT calculations on the stability and magnetic properties of Fe and Cr impurities in diamond, and show that their ground state magnetic ordering and stabilization energies depend strongly on the charge state and type of co-doping. We predict that divacancy Cr{sup +2} and substitutional Fe{sup +1} order ferromagnetically in p-type diamond, with magnetic stabilization energies (and magnetic moment per impurity ion) of 16.9 meV (2.5 ?{sub B}) and 33.3 meV (1.0 ?{sub B}), respectively. These magnetic stabilization energies are much larger than what has been achieved in other semiconductors at comparable impurity concentrations, including the archetypal dilute magnetic semiconductor GaAs:Mn. In addition, substitutional Fe{sup +1} exhibits a strong half-metallic character, with the Fermi level crossing bands in only the spin down channel. These results, combined with diamond’s extreme properties, demonstrate that Cr or Fe dopedp-type diamond may successfully be considered in the search for room temperature spintronic materials.

  14. Ab-initio study of donor-acceptor codoping for n-type CuO

    SciTech Connect (OSTI)

    Peng, Yuan; Wang, Junling, E-mail: jlwang@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Zheng, Jianwei [Institute of High Performance Computing, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632 (Singapore); Wu, Ping [Engineering Product Development, Singapore University of Technology and Design, 20 Dover Drive, Singapore 138682 (Singapore)

    2014-10-28

    Single n-type dopant in CuO has either a deep donor level or limited solubility, inefficient in generating free electrons. We have performed ab-initio study of the donor-acceptor codoping to obtain n-type CuO. Our results show that N codoping can slightly improve the donor level of Zr and In by forming shallower n-type complexes (Zr{sub Cu}-N{sub O} and 2In{sub Cu}-N{sub O}), but their formation energies are too high to be realized in experiments. However, Li codoping with Al and Ga is found to be relatively easy to achieve. 2Al{sub Cu}-Li{sub Cu} and 2Ga{sub Cu}-Li{sub Cu} have shallower donor levels than single Al and Ga by 0.14?eV and 0.08?eV, respectively, and their formation energies are reasonably low to act as efficient codopants. Moreover, Li codoping with both Al and Ga produce an empty impurity band just below the host conduction band minimum, which may reduce the donor ionization energy at high codoping concentrations.

  15. Microstructure from joint analysis of experimental data and ab initio interactions: Hydrogenated amorphous silicon

    SciTech Connect (OSTI)

    Biswas, Parthapratim; Drabold, D. A.; Atta-Fynn, Raymond

    2014-12-28

    A study of the formation of voids and molecular hydrogen in hydrogenated amorphous silicon is presented based upon a hybrid approach that involves inversion of experimental nuclear magnetic resonance data in conjunction with ab initio total-energy relaxations in an augmented solution space. The novelty of this approach is that the voids and molecular hydrogen appear naturally in the model networks unlike conventional approaches, where voids are created artificially by removing silicon atoms from the networks. Two representative models with 16 and 18 at.?% of hydrogen are studied in this work. The result shows that the microstructure of the a-Si:H network consists of several microvoids and few molecular hydrogen for concentration above 15 at.?% H. The microvoids are highly irregular in shape and size, and have a linear dimension of 5–7?Å. The internal surface of a microvoid is found to be decorated with 4–9 hydrogen atoms in the form of monohydride Si–H configurations as observed in nuclear magnetic resonance experiments. The microstructure consists of (0.9–1.4)% hydrogen molecules of total hydrogen in the networks. These observations are consistent with the outcome of infrared spectroscopy, nuclear magnetic resonance, and calorimetry experiments.

  16. Ab initio calculations for dissociative hydrogen adsorption on lithium oxide surfaces

    SciTech Connect (OSTI)

    Sutjianto, A. [Argonne National Lab., IL (United States). Chemical Technology Div.]|[Michigan Technological Univ., Houghton, MI (United States). Physics Dept.; Tam, S.W.; Curtiss, L.A.; Johnson, C.E. [Argonne National Lab., IL (United States). Chemical Technology Div.; Pandey, R. [Michigan Technological Univ., Houghton, MI (United States). Physics Dept.

    1994-12-01

    Lithium ceramics are one class of materials being considered as tritium breeders for fusion technology,and hydrogen is known to enhance the release of tritium from lithium ceramic materials. Dissociative hydrogen chemisorption on the Li{sub 2}O surfaces of the (100), (110), and (111) planes has been investigated with ab initio Hartree-Fock calculations. Calculations for unrelaxed crystal Li{sub 2}O structures indicated that except for the (100) surface, the (110) and (111) surfaces are stable. Results on the heterolytic sites of n-layer (110) (where n {ge} 2) slabs and three-layer (111) slabs suggest that dissociative hydrogen chemisorption is endothermic. For a one-layer (110) slab at 100% surface coverage, the dissociative hydrogen chemisorption is exothermic, forming OH{sup {minus}} and Li{sup +}H{sup {minus}}Li{sup +}. The results also indicate that the low coordination environment in surface step structures, such as kinks and ledges, may plan an important role in the hydrogen chemisorption process. On the homolytic sites of the (110) and (111) surfaces, there is no hydrogen chemisorption.

  17. Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane

    SciTech Connect (OSTI)

    Devanathan, Ramaswami; Idupulapati, Nagesh B.; Baer, Marcel D.; Mundy, Christopher J.; Dupuis, Michel

    2013-12-10

    We report the results of ab initio molecular dynamics simulations of a model NafionTM polymer membrane initially equilibrated using classical molecular dynamics simulations. We studied three hydration levels (?) of 3, 9, and 15 H2O/SO3- corresponding to dry, hydrated and saturated fuel cell membrane, respectively. The barrier for proton transfer from the SO3-–H3O+ contact ion pair to a solvent-separated ion pair decreased from 2.3 kcal/mol for ? = 3 to 0.8 kcal/mol for ? = 15. The barrier for proton transfer between two water molecules was in the range from 0.7 to 0.8 kcal/mol for the ? values studied. The number of proton shuttling events between a pair of water molecules is an order of magnitude more than the number of proton hops across three distinct water molecules. The proton diffusion coefficient at ? = 15 is about 0.9x10-5 cm2/s, which is in good agreement with experiment and our previous quantum hopping molecular dynamics simulations.

  18. Ab initio calculation of the electronic absorption spectrum of liquid water

    SciTech Connect (OSTI)

    Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa; Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa; Instituto de Física da Universidade de São Paulo, CP 66318, 05314-970 São Paulo, SP

    2014-04-28

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O–H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  19. Advanced Photon Source Upgrade Project

    ScienceCinema (OSTI)

    Mitchell, John; Gibson, Murray; Young, Linda; Joachimiak, Andrzej

    2013-04-19

    Upgrade to Advanced Photon Source announced by Department Of Energy. Read more: http://go.usa.gov/ivZ

  20. Evaluation of the Nutritional Value of Seafood By-Product Blends with Red Drum Sciaenops Ocellatus and Hybrid Striped Bass Morone Saxatilis X M.Chysops 

    E-Print Network [OSTI]

    Burns, Alton F

    2014-05-06

    but relatively static supplies. A promising source of alternative protein and lipid is the waste from seafood processing. This project evaluated four different types of seafood processing wastes as potential feed ingredients for the red drum (Sciaenops ocellatus...

  1. The ABC-Type Ef?ux Pump MacAB Protects Salmonella enterica serovar Typhimurium from Oxidative Stress 

    E-Print Network [OSTI]

    Bogomolnaya, Lydia M.; Andrews, Katharine D.; Talamantes, Marissa; Maple, Aimee; Ragoza, Yury; Vazquez-Torres, Andres; Andrews-Polymenis, Helene

    2013-10-29

    categorized into five families: ABC superfamily (19), the major facilitator superfamily (MFS) (20), the small multidrug re- sistance (MDR) (SMR) family (21), the resistance-nodulation- division (RND) superfamily (17), and the multidrug and toxic compound...). Salmonella encodes at least 11 multidrug efflux (MDR) pumps belonging to four different classes: ABC family, MATE, RND, and MFS (14, 23). Eight of these pumps are also found in Esche- richia coli (14, 23). Only the AcrAB-TolC drug efflux pump is expressed...

  2. 10 Antibiotic (10AB) stock solution. This recipe makes up a 10X concentrated solution. The solution should be

    E-Print Network [OSTI]

    Steury, Todd D.

    10 Antibiotic (10AB) stock solution. This recipe makes up a 10X concentrated solution. The solution Polymixin-B 0.016 g Tetracycline 0.012 g Vancomycin 0.012 g This recipe was published by Polne-Fuller, M Stocks 1.0 mL of each (recipe below) Primary Trace Metals stock solutions To 100 mL of distilled water

  3. Hydrogen Insertion Effects on the Electronic Structure of Equiatomic MgNi Traced by ab initio Calculations.

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 Hydrogen Insertion Effects on the Electronic Structure of Equiatomic MgNi Traced by ab initio-xxx / Received October 18, 2012. Doi: 10.5560/ ZNB.2012-xxx For equiatomic MgNi which can be hydrogenated up to the composition MgNiH1.6 at an absorption/desorption temperature of 200 °C, the effects of hydrogen are approached

  4. Thin-disk laser pump schemes for large number of passes and moderate pump source quality

    E-Print Network [OSTI]

    Schuhmann, K; Kirch, K; Knecht, A; Kottmann, F; Nez, F; Pohl, R; Taqqu, D; Antognini, A

    2015-01-01

    Novel thin-disk laser pump layouts are proposed yielding an increased number of passes for a given pump module size and pump source quality. These novel layouts result from a general scheme which bases on merging two simpler pump optics arrangements. Some peculiar examples can be realized by adapting standard commercially available pump optics simply by intro ducing an additional mirror-pair. More pump passes yield better efficiency, opening the way for usage of active materials with low absorption. In a standard multi-pass pump design, scaling of the number of beam passes brings ab out an increase of the overall size of the optical arrangement or an increase of the pump source quality requirements. Such increases are minimized in our scheme, making them eligible for industrial applications

  5. Completeness of Integrated Information Sources

    E-Print Network [OSTI]

    Freytag, Johann-Christoph

    Completeness of Integrated Information Sources Felix Naumann, Johann-Christoph Freytag, Ulf Leser attributes of these entities. Mediator-based information systems allow integrated access to such sources new merge operators, which formalize the integration of multiple source responses. A completeness

  6. Economic and Emissions Implications of Load-Based, Source-based and First-seller Emissions Trading Programs under California AB32

    E-Print Network [OSTI]

    Chen, Yihsu; Liu, Andrew L.; Hobbs, Benjamin F.

    2008-01-01

    cates in a load-based emissions trading scheme. Technicaland First-seller Emissions Trading Programs under Californiaand First-seller Emissions Trading Programs under California

  7. Economic and Emissions Implications of Load-Based, Source-based and First-seller Emissions Trading Programs under California AB32

    E-Print Network [OSTI]

    Chen, Yihsu; Liu, Andrew L.; Hobbs, Benjamin F.

    2008-01-01

    Rate [kgs/MWh] COST CO2 Cost[$/MWh] ZoneA ZoneC CumulativeCapacity [MW] Emissions Rate [kgs/MWh] COST CO2 COSTCO2 Emissions Rate [kgs/MWh] Cost[$/MWh] Cost[$/MWh

  8. Economic and Emissions Implications of Load-Based, Source-based and First-seller Emissions Trading Programs under California AB32

    E-Print Network [OSTI]

    Chen, Yihsu; Liu, Andrew L.; Hobbs, Benjamin F.

    2008-01-01

    only generation by California power plants. Meanwhile, theCalifornia is considering three proposals to regulate greenhouse gasses emitted by electric power plants

  9. Economic and Emissions Implications of Load-Based, Source-based and First-seller Emissions Trading Programs under California AB32

    E-Print Network [OSTI]

    Chen, Yihsu; Liu, Andrew L.; Hobbs, Benjamin F.

    2008-01-01

    emissions trading programs for the electric power sector:power markets, transmission limitations, and emissions trading,

  10. Infrared source test

    SciTech Connect (OSTI)

    Ott, L.

    1994-11-15

    The purpose of the Infrared Source Test (IRST) is to demonstrate the ability to track a ground target with an infrared sensor from an airplane. The system is being developed within the Advance Technology Program`s Theater Missile Defense/Unmanned Aerial Vehicle (UAV) section. The IRST payload consists of an Amber Radiance 1 infrared camera system, a computer, a gimbaled mirror, and a hard disk. The processor is a custom R3000 CPU board made by Risq Modular Systems, Inc. for LLNL. The board has ethernet, SCSI, parallel I/O, and serial ports, a DMA channel, a video (frame buffer) interface, and eight MBytes of main memory. The real-time operating system VxWorks has been ported to the processor. The application code is written in C on a host SUN 4 UNIX workstation. The IRST is the result of a combined effort by physicists, electrical and mechanical engineers, and computer scientists.

  11. Multiple source heat pump

    DOE Patents [OSTI]

    Ecker, Amir L. (Duncanville, TX)

    1983-01-01

    A heat pump apparatus for conditioning a fluid characterized by a fluid handler and path for circulating a fluid in heat exchange relationship with a refrigerant fluid, at least three refrigerant heat exchangers, one for effecting heat exchange with the fluid, a second for effecting heat exchange with a heat exchange fluid, and a third for effecting heat exchange with ambient air; a compressor for compressing the refrigerant; at least one throttling valve connected at the inlet side of a heat exchanger in which liquid refrigerant is vaporized; a refrigerant circuit; refrigerant; a source of heat exchange fluid; heat exchange fluid circuit and pump for circulating the heat exchange fluid in heat exchange relationship with the refrigerant; and valves or switches for selecting the heat exchangers and directional flow of refrigerant therethrough for selecting a particular mode of operation. Also disclosed are a variety of embodiments, modes of operation, and schematics therefor.

  12. Neutrino Sources and Properties

    E-Print Network [OSTI]

    Francesco Vissani

    2015-05-19

    In this lecture, prepared for PhD students, basic considerations on neutrino interactions, properties and sites of production are overviewed. The detailed content is as follows: Sect. 1, Weak interactions and neutrinos: Fermi coupling; definition of neutrinos; global numbers. Sect. 2, A list of neutrino sources: Explanatory note and examples (solar pp- and supernova-neutrinos). Sect. 3, Neutrinos oscillations: Basic formalism (Pontecorvo); matter effect (Mikheev, Smirnov, Wolfenstein); status of neutrino masses and mixings. Sect. 4, Modifying the standard model to include neutrinos masses: The fermions of the standard model; one additional operator in the standard model (Weinberg); implications. One summary table and several exercises offer the students occasions to check, consolidate and extend their understanding; the brief reference list includes historical and review papers and some entry points to active research in neutrino physics.

  13. Thulium-170 heat source

    DOE Patents [OSTI]

    Walter, Carl E. (Pleasanton, CA); Van Konynenburg, Richard (Livermore, CA); VanSant, James H. (Tracy, CA)

    1992-01-01

    An isotopic heat source is formed using stacks of thin individual layers of a refractory isotopic fuel, preferably thulium oxide, alternating with layers of a low atomic weight diluent, preferably graphite. The graphite serves several functions: to act as a moderator during neutron irradiation, to minimize bremsstrahlung radiation, and to facilitate heat transfer. The fuel stacks are inserted into a heat block, which is encased in a sealed, insulated and shielded structural container. Heat pipes are inserted in the heat block and contain a working fluid. The heat pipe working fluid transfers heat from the heat block to a heat exchanger for power conversion. Single phase gas pressure controls the flow of the working fluid for maximum heat exchange and to provide passive cooling.

  14. Agricultural Soil Carbon Sequestration Offset Programs: Strengths, Difficulties, and Suggestions for Their Potential Use in AB 32's Cap and Trade Program

    E-Print Network [OSTI]

    Bernadett, Lauren

    2013-01-01

    pdf; Section 3: Emissions Trading/Offset Credits – A Market1, 2013. 19 Under the Emissions Trading Program , L EGAL Pand-ab-32s- emissions-trading-program/. Additionally,

  15. Data:6f7cda2e-3572-486a-b3aa-4129977e9ead | Open Energy Information

    Open Energy Info (EERE)

    cda2e-3572-486a-b3aa-4129977e9ead No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1....

  16. Data:32b0abb8-a929-4537-b5ed-ab1155e4aa0b | Open Energy Information

    Open Energy Info (EERE)

    -b5ed-ab1155e4aa0b No revision has been approved for this page. It is currently under review by our subject matter experts. Jump to: navigation, search Loading... 1. Basic...

  17. Ab initio investigation of high multiplicity Rþ—Rþ [sigma superscript + - sigma superscript +] optical transitions in the spectra of CN and isoelectronic species

    E-Print Network [OSTI]

    Kulik, Heather J.

    Based on high-level ab initio calculations, we predict the existence of a strong 4?+–4?+ [superscript 4 sigma superscript + - superscript 4 sigma superscript +] optical transition (dav=1.6 D) [(d subscript av = 1.6 D)] ...

  18. Degree project 30hp, (20 weeks) at Q-linea AB, Uppsala. The project is aimed to test and evaluate image analysis algorithms for analysis of images obtained

    E-Print Network [OSTI]

    Uppsala Universitet

    Degree project 30hp, (20 weeks) at Q-linea AB, Uppsala. The project is aimed to test and evaluate-lineas sepsis project. Based on a novel and proprietary molecular platform, Q-linea develops fully automated

  19. NFMCC Meeting -13 March 2006 I.Efthymiopoulos, A.Fabich, CERN AB-ATB-EA 1 MERcury Intense Target (MERIT)

    E-Print Network [OSTI]

    McDonald, Kirk

    done by CERN/AB-PO group Status: Power supply installed in bat.193 Refurbishment started ­ will be completed by October 2006 AC transformer installed Associated AC circuitry refurbishment to be done

  20. Input/Output of ab-initio nuclear structure calculations for improved performance and portability

    SciTech Connect (OSTI)

    Laghave, Nikhil

    2010-12-15

    Many modern scientific applications rely on highly computation intensive calculations. However, most applications do not concentrate as much on the role that input/output operations can play for improved performance and portability. Parallelizing input/output operations of large files can significantly improve the performance of parallel applications where sequential I/O is a bottleneck. A proper choice of I/O library also offers a scope for making input/output operations portable across different architectures. Thus, use of parallel I/O libraries for organizing I/O of large data files offers great scope in improving performance and portability of applications. In particular, sequential I/O has been identified as a bottleneck for the highly scalable MFDn (Many Fermion Dynamics for nuclear structure) code performing ab-initio nuclear structure calculations. We develop interfaces and parallel I/O procedures to use a well-known parallel I/O library in MFDn. As a result, we gain efficient I/O of large datasets along with their portability and ease of use in the down-stream processing. Even situations where the amount of data to be written is not huge, proper use of input/output operations can boost the performance of scientific applications. Application checkpointing offers enormous performance improvement and flexibility by doing a negligible amount of I/O to disk. Checkpointing saves and resumes application state in such a manner that in most cases the application is unaware that there has been an interruption to its execution. This helps in saving large amount of work that has been previously done and continue application execution. This small amount of I/O provides substantial time saving by offering restart/resume capability to applications. The need for checkpointing in optimization code NEWUOA has been identified and checkpoint/restart capability has been implemented in NEWUOA by using simple file I/O.

  1. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock; Siddharth Chopra

    2003-09-11

    As the US seeks to develop an energy strategy that reduces the reliance on foreign oil, there is a renewed interest in the research and development of the Fischer Tropsch synthesis for converting syngas into long chain hydrocarbon products. This report investigates some of the basic elementary steps for Fischer-Tropsch synthesis over ideal Pt, Ru and carbon-covered Pt and Ru metal surfaces by using ab initio density functional theoretical calculations. We examine in detail the adsorption sites as well as the binding energies for C, CH, CH{sub 2}, CH3 and CH4 on Pt(111), Ru(0001), 2x2-C-Pt(111) and 2x2-C-Ru(0001). The results indicate that the binding energies increase with decreasing the hydrogen in the fragment molecule, i.e. CH{sub 4} < CH{sub 3} < CH{sub 2} < CH < C. More specifically the work analyzes the elementary steps involved in the activation of methane. This is simply the reverse set of steps necessary for the hydrogenation of C to CH{sub 4}. The results indicate that these hydrocarbon intermediates bind more strongly to Ru than Pt. The introduction of co-adsorbed carbon atoms onto both Ru(0001) as well as Pt(111) significantly increased the overall energies as well as the activation barriers for C-H bond activation. The results suggest that Ru may be so active that it initially can initially activate CH4 into CH or C but ultimately it dies because the CH and C intermediates poison the surface and thus kill its activity. Methane can dissociate on Pt but subsequent hydrocarbon coupling reactions act to remove the surface carbon.

  2. Emergency preparedness source term development for the Office of Nuclear Material Safety and Safeguards-Licensed Facilities

    SciTech Connect (OSTI)

    Sutter, S.L.; Mishima, J.; Ballinger, M.Y.; Lindsey, C.G.

    1984-08-01

    In order to establish requirements for emergency preparedness plans at facilities licensed by the Office of Nuclear Materials Safety and Safeguards, the Nuclear Regulatory Commission (NRC) needs to develop source terms (the amount of material made airborne) in accidents. These source terms are used to estimate the potential public doses from the events, which, in turn, will be used to judge whether emergency preparedness plans are needed for a particular type of facility. Pacific Northwest Laboratory is providing the NRC with source terms by developing several accident scenarios for eleven types of fuel cycle and by-product operations. Several scenarios are developed for each operation, leading to the identification of the maximum release considered for emergency preparedness planning (MREPP) scenario. The MREPP scenarios postulated were of three types: fire, tornado, and criticality. Fire was significant at oxide fuel fabrication, UF/sub 6/ production, radiopharmaceutical manufacturing, radiopharmacy, sealed source manufacturing, waste warehousing, and university research and development facilities. Tornadoes were MREPP events for uranium mills and plutonium contaminated facilities, and criticalities were significant at nonoxide fuel fabrication and nuclear research and development facilities. Techniques for adjusting the MREPP release to different facilities are also described.

  3. Distinguishing Between Site Waste, Natural, and Other Sources of Contamination at Uranium and Thorium Contaminated Sites - 12274

    SciTech Connect (OSTI)

    Hays, David C. [United States Army Corps of Engineers, Kansas City, Missouri, 64106 (United States)

    2012-07-01

    Uranium and thorium processing and milling sites generate wastes (source, byproduct, or technically enhanced naturally occurring material), that contain contaminants that are similar to naturally occurring radioactive material deposits and other industry wastes. This can lead to mis-identification of other materials as Site wastes. A review of methods used by the US Army Corps of Engineers and the Environmental Protection Agency to distinguish Site wastes from potential other sources, enhanced materials, and natural deposits, at three different thorium mills was conducted. Real case examples demonstrate the importance of understanding the methods of distinguishing wastes. Distinguishing between Site wastes and enhanced Background material can be facilitated by establishing and applying a formal process. Significant project cost avoidance may be realized by distinguishing Site wastes from enhanced NORM. Collection of information on other potential sources of radioactive material and physical information related to the potential for other radioactive material sources should be gathered and reported in the Historical Site Assessment. At a minimum, locations of other such information should be recorded. Site decision makers should approach each Site area with the expectation that non site related radioactive material may be present and have a process in place to distinguish from Site and non Site related materials. (authors)

  4. Constricted glow discharge plasma source

    DOE Patents [OSTI]

    Anders, Andre (Albany, CA); Anders, Simone (Albany, CA); Dickinson, Michael (San Leandro, CA); Rubin, Michael (Berkeley, CA); Newman, Nathan (Winnetka, IL)

    2000-01-01

    A constricted glow discharge chamber and method are disclosed. The polarity and geometry of the constricted glow discharge plasma source is set so that the contamination and energy of the ions discharged from the source are minimized. The several sources can be mounted in parallel and in series to provide a sustained ultra low source of ions in a plasma with contamination below practical detection limits. The source is suitable for applying films of nitrides such as gallium nitride and oxides such as tungsten oxide and for enriching other substances in material surfaces such as oxygen and water vapor, which are difficult process as plasma in any known devices and methods. The source can also be used to assist the deposition of films such as metal films by providing low-energy ions such as argon ions.

  5. Alternative Energy Sources – Myths and Realities

    E-Print Network [OSTI]

    Youngquist, Walter

    1998-01-01

    Alternative Energy Sources - Myths and Realities Walterneed to think about alternative energy sources; the worlddepletion of oil? Alternative energy sources can be divided

  6. Media Center | Advanced Photon Source

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

    distributed to all APS users and others interested in the APS. Research Highlights Books Articles on Advanced Photon Source research and engineering highlights that are...

  7. Linac Coherent Light Source Overview

    Office of Energy Efficiency and Renewable Energy (EERE)

    Take an animated tour of the Linac Coherent Light Source (LCLS). Follow the laser pulse from the injector gun all the way through to the Far Experimental Hall.

  8. Linac Coherent Light Source Overview

    ScienceCinema (OSTI)

    None

    2013-05-29

    Take an animated tour of the Linac Coherent Light Source (LCLS). Follow the laser pulse from the injector gun all the way through to the Far Experimental Hall.

  9. APS Publications | Advanced Photon Source

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

    Publications Publications Database The APS Publications Database is a searchable compendium of information on results from research at the APS. It is the official source for...

  10. THE ONLY SOURCE OF ENERGY

    E-Print Network [OSTI]

    Calvin, Genevieve J.

    2011-01-01

    s allotment of energy and today's needs, before completelytoday's sunlight which is, and always has been, the ONLY source of energy.

  11. Advanced Neutron Source (ANS) Project

    SciTech Connect (OSTI)

    Campbell, J.H.; Selby, D.L.; Harrington, R.M.; Peretz, F.J.

    1991-02-01

    This report discusses the research and development, design and safety of the Advanced Neutron Source at Oak Ridge National Laboratory. (LSP)

  12. A self-powered electrochromic device driven by a nanogenerator Xiaohong Yang,ab

    E-Print Network [OSTI]

    Wang, Zhong L.

    and high colora- tion efficiency13­16 that make them suitable for a variety of applica- tions such as smart windows, electronic billboards, as well as displays of portable and flexible devices including smart cards diagrams of self-powered EC systems. The power source unit has an NG and a full-wave bridge for recti

  13. Paper AB/39/12 Statement on use of Social Media.

    E-Print Network [OSTI]

    Daley, Monica A.

    , and so informal and formal contributions raising awareness of social media uses to colleagues, is valuable. Staff and Students should also be aware of, where appropriate, referencing sources of information and information for students and staff, in order to assist them in making responsible decisions when using social

  14. The SIAM Photon Source

    SciTech Connect (OSTI)

    Pairsuwan, Weerapong

    2007-01-19

    A short history of the SIAM Photon Source in Thailand is described. The facility is based on the 1 GeV storage ring obtained from the SORTEC consortium in Japan. After a redesign to include insertion straight sections it produced the first light in December 2001 and the first beam line became operational in early 2002. Special difficulties appear when a synchrotron light facility is obtained by donation, which have mostly to do with the absence of human resource development that elsewhere is commonly accomplished during design and construction. Additional problems arise by the distance of a developing country like Thailand from the origin of technical parts of the donation. A donation does not provide time to generate local capabilities or include in the technical design locally obtainable parts. This makes future developments, repairs and maintenance more time consuming, difficult and expensive than it should be. In other cases, parts of components are proprietary or obsolete or both which requires redesign and engineering at a time when the replacement part should be available to prevent stoppage of operation.The build-up of a user community is very difficult, especially when the radiation spectrum is confined to the VUV regime. Most of scientific interest these days is focused on the x-ray regime. Due to its low beam energy, the SIAM storage ring did not produce useful x-ray intensities and we are therefore in the midst of an upgrade to produce harder radiation. The first step has been achieved with a 20% increase of energy to 1.2 GeV. This step shifts the critical photon energy of bending magnet radiation from 800 eV to 1.4 keV providing useful radiation up to 7 keV. A XAS-beam line has been completed in 2005 and experimentation is very active by now. The next step is to install a 6.4 T wavelength shifter by the end of 2006 resulting in a critical photon energy of 6.15 keV. Further upgrades are planed for the comming years.

  15. Hollow electrode plasma excitation source

    DOE Patents [OSTI]

    Ballou, Nathan E. (West Richland, WA)

    1992-01-01

    A plasma source incorporates a furnace as a hollow anode, while a coaxial cathode is disposed therewithin. The source is located in a housing provided with an ionizable gas such that a glow discharge is produced between anode and cathode. Radiation or ionic emission from the glow discharge characterizes a sample placed within the furnace and heated to elevated temperatures.

  16. Hollow electrode plasma excitation source

    DOE Patents [OSTI]

    Ballou, N.E.

    1992-04-14

    A plasma source incorporates a furnace as a hollow anode, while a coaxial cathode is disposed therewithin. The source is located in a housing provided with an ionizable gas such that a glow discharge is produced between anode and cathode. Radiation or ionic emission from the glow discharge characterizes a sample placed within the furnace and heated to elevated temperatures. 5 figs.

  17. The Linac Coherent Light Source

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

    White, William E.; Robert, Aymeric; Dunne, Mike

    2015-05-01

    The Linac Coherent Light Source (LCLS) at the SLAC National Accelerator Laboratory was the first hard X-ray free-electron laser (FEL) to operate as a user facility. After five years of operation, LCLS is now a mature FEL user facility. Our personal views about opportunities and challenges inherent to these unique light sources are discussed.

  18. Ab initio potential energy curves of the valence, Rydberg, and ion-pair states of iodine monochloride, ICl

    SciTech Connect (OSTI)

    Kalemos, Apostolos; Prosmiti, Rita

    2014-09-14

    We present for the first time a coherent ab initio study of 39 states of valence, Rydberg, and ion-pair character of the diatomic interhalogen ICl species through large scale multireference variational methods including spin-orbit effects coupled with quantitative basis sets. Various avoided crossings are responsible for a non-adiabatic behaviour creating a wonderful vista for its theoretical description. Our molecular constants are compared with all available experimental data with the aim to assist experimentalists especially in the high energy regime of up to ?95?000 cm{sup ?1}.

  19. Particle Acceleration in Astrophysical Sources

    E-Print Network [OSTI]

    Amato, Elena

    2015-01-01

    Astrophysical sources are extremely efficient accelerators. Some sources emit photons up to multi-TeV energies, a signature of the presence, within them, of particles with energies much higher than those achievable with the largest accelerators on Earth. Even more compelling evidence comes from the study of Cosmic Rays, charged relativistic particles that reach the Earth with incredibly high energies: at the highest energy end of their spectrum, these subatomic particles are carrying a macroscopic energy, up to a few Joules. Here I will address the best candidate sources and mechanisms as cosmic particle accelerators. I will mainly focus on Galactic sources such as Supernova Remnants and Pulsar Wind Nebulae, which being close and bright, are the best studied among astrophysical accelerators. These sources are held responsible for most of the energy that is put in relativistic particles in the Universe, but they are not thought to accelerate particles up to the highest individual energies, $\\approx 10^{20}$ eV...

  20. Diversity employment and recruitment sources

    SciTech Connect (OSTI)

    Not Available

    1994-08-01

    Effective human resources management has been identified as one of four critical success factors in the Department of Energy Strategic Plan. The Plan states relative to this factor: ``The Department seeks greater alignment of resources with agency priorities and increased diversification of the workforce, including gender, ethnicity, age, and skills. This diversification will bring new thinking and perspectives that heretofore have not had a voice in departmental decision-making.`` This Guide has been developed as a key tool to assist Department of Energy management and administrative staff in achieving Goal 2 of this critical success factor, which is to ``Ensure a diverse and talented workforce.`` There are numerous sources from which to recruit minorities, women and persons with disabilities. Applying creativity and proactive effort, using traditional and non-traditional approaches, and reaching out to various professional, academic and social communities will increase the reservoir of qualified candidates from which to make selections. In addition, outreach initiatives will undoubtedly yield further benefits such as a richer cultural understanding and diversity awareness. The resource listings presented in this Guide are offered to encourage active participation in the diversity recruitment process. This Guide contains resource listings by state for organizations in the following categories: (1) African American Recruitment Sources; (2) Asian American/Pacific Islander Recruitment Sources; (3) Hispanic Recruitment Sources; (4) Native American/Alaskan Native Recruitment Sources; (5) Persons with Disabilities Recruitment Sources; and (6) Women Recruitment Sources.

  1. International Data on Radiological Sources

    SciTech Connect (OSTI)

    Martha Finck; Margaret Goldberg

    2010-07-01

    ABSTRACT The mission of radiological dispersal device (RDD) nuclear forensics is to identify the provenance of nuclear and radiological materials used in RDDs and to aid law enforcement in tracking nuclear materials and routes. The application of databases to radiological forensics is to match RDD source material to a source model in the database, provide guidance regarding a possible second device, and aid the FBI by providing a short list of manufacturers and distributors, and ultimately to the last legal owner of the source. The Argonne/Idaho National Laboratory RDD attribution database is a powerful technical tool in radiological forensics. The database (1267 unique vendors) includes all sealed sources and a device registered in the U.S., is complemented by data from the IAEA Catalogue, and is supported by rigorous in-lab characterization of selected sealed sources regarding physical form, radiochemical composition, and age-dating profiles. Close working relationships with global partners in the commercial sealed sources industry provide invaluable technical information and expertise in the development of signature profiles. These profiles are critical to the down-selection of potential candidates in either pre- or post- event RDD attribution. The down-selection process includes a match between an interdicted (or detonated) source and a model in the database linked to one or more manufacturers and distributors.

  2. Three chamber negative ion source

    DOE Patents [OSTI]

    Leung, K.N.; Ehlers, K.W.; Hiskes, J.R.

    1983-11-10

    It is an object of this invention provide a negative ion source which efficiently provides a large flux of negatively ionized particles. This invention provides a volume source of negative ions which has a current density sufficient for magnetic fusion applications and has electrons suppressed from the output. It is still another object of this invention to provide a volume source of negative ions which can be electrostatically accelerated to high energies and subsequently neutralized to form a high energy neutral beam for use with a magnetically confined plasma.

  3. APS News | Advanced Photon Source

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

    Young, Director of the X-ray Science Division in Argonne's Advanced Photon Source; Elliot Kanter, of the Atomic, Molecular, and Optical Physics Group in the X-ray Science...

  4. Radiation source with shaped emission

    DOE Patents [OSTI]

    Kubiak, Glenn D.; Sweatt, William C.

    2003-05-13

    Employing a source of radiation, such as an electric discharge source, that is equipped with a capillary region configured into some predetermined shape, such as an arc or slit, can significantly improve the amount of flux delivered to the lithographic wafers while maintaining high efficiency. The source is particularly suited for photolithography systems that employs a ringfield camera. The invention permits the condenser which delivers critical illumination to the reticle to be simplified from five or more reflective elements to a total of three or four reflective elements thereby increasing condenser efficiency. It maximizes the flux delivered and maintains a high coupling efficiency. This architecture couples EUV radiation from the discharge source into a ring field lithography camera.

  5. Electrolyte salts for power sources

    DOE Patents [OSTI]

    Doddapaneni, N.; Ingersoll, D.

    1995-11-28

    Electrolyte salts are disclosed for power sources comprising salts of phenyl polysulfonic acids and phenyl polyphosphonic acids. The preferred salts are alkali and alkaline earth metal salts, most preferably lithium salts. 2 figs.

  6. Roadmap for commodity sourcing strategy

    E-Print Network [OSTI]

    Chong, Wenzheng

    2015-01-01

    The procurement and sourcing group of OG company was tasked to systematically forecast, design and develop the future state of the company's next generation supply base. The main objective is to anticipate the preferred ...

  7. THE ONLY SOURCE OF ENERGY

    E-Print Network [OSTI]

    Calvin, Genevieve J.

    2011-01-01

    of photosynthesis of energy (the sun) still of mil Teniapast due that we use the sun's energy on a current basis andenergy farm" with the sunshine as the source. The sugar cane captures the sun,

  8. Sponsored E-Source Membership

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

    Programs Service (EDRP) With EDRP, you'll discover ways to make your EE and demand-response programs more effective. With E Source EDRP you can: Identify attributes...

  9. Next Generation Light Source Workshops

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

    Next Generation Light Source Workshops A series of workshops will be held in late August with the goal of refining the scientific drivers for the facility and translating the...

  10. THE ONLY SOURCE OF ENERGY

    E-Print Network [OSTI]

    Calvin, Genevieve J.

    2011-01-01

    past due that we use the sun's energy on a current basis andof photosynthesis of energy (the sun) still of mil Teniaenergy farm" with the sunshine as the source. The sugar cane captures the sun,

  11. Unimodular gravity with external sources

    SciTech Connect (OSTI)

    Álvarez, Enrique; Herrero-Valea, Mario, E-mail: enrique.alvarez@uam.es, E-mail: mario.herrero@estudiante.uam.es [Instituto de Física Teórica UAM/CSIC and Departamento de Física Teórica Universidad Autónoma de Madrid, E-28049, Madrid (Spain)

    2013-01-01

    The only allowed source of the gravitational field in the unimodular theory, invariant under area-preserving (transverse) diffeomorphisms as well as Weyl transformations, is just the traceless piece of the energy-momentum tensor. This fact notwithstanding, the free energy produced by arbitrary sources (not only static ones) is identical to the one predicted by general relativity. This encompasses all weak field tests of gravitation.

  12. Gravitational Microlensing of Fractal Sources

    E-Print Network [OSTI]

    Geraint F. Lewis

    2004-08-11

    Gravitational microlensing has proven to be a powerful tool in the study of quasars, providing some of the strongest limits on the scales of structure in the central engine. Typically sources are considered to be smoothly varying on some particular scale; such simple sources result in recognisable time scales in microlensing light curves from which the size of the source can be determined. Various emission processes, however, result in sources with a fractal appearance, possessing structure on a range of scales. Here, the gravitational microlensing of such fractal sources at the heart of quasars is considered. It is shown that the resulting light curves reflect the fractal nature of the sources, possessing pronounced structure at various scales, markedly different to the case with the random distribution of emission clouds that are typically considered. Hence, the determination of a characteristic scale of variability in a microlensing light curve may not necessarily reveal the size of the individual emission clouds, the key value that is required to determine the physical state of the emission region, rather it may correspond to a particular hierarchy in a fractal structure. Current X-ray satellites can detect such fractal structure via the monitoring of gravitationally lensed quasars during a microlensing event, providing a test of high energy emission processes in quasars.

  13. Multilevel cascade voltage source inverter with separate DC sources

    DOE Patents [OSTI]

    Peng, F.Z.; Lai, J.S.

    1997-06-24

    A multilevel cascade voltage source inverter having separate DC sources is described herein. This inverter is applicable to high voltage, high power applications such as flexible AC transmission systems (FACTS) including static VAR generation (SVG), power line conditioning, series compensation, phase shifting and voltage balancing and fuel cell and photovoltaic utility interface systems. The M-level inverter consists of at least one phase wherein each phase has a plurality of full bridge inverters equipped with an independent DC source. This inverter develops a near sinusoidal approximation voltage waveform with only one switching per cycle as the number of levels, M, is increased. The inverter may have either single-phase or multi-phase embodiments connected in either wye or delta configurations. 15 figs.

  14. Multilevel cascade voltage source inverter with seperate DC sources

    DOE Patents [OSTI]

    Peng, Fang Zheng (Oak Ridge, TN); Lai, Jih-Sheng (Knoxville, TN)

    1997-01-01

    A multilevel cascade voltage source inverter having separate DC sources is described herein. This inverter is applicable to high voltage, high power applications such as flexible AC transmission systems (FACTS) including static VAR generation (SVG), power line conditioning, series compensation, phase shifting and voltage balancing and fuel cell and photovoltaic utility interface systems. The M-level inverter consists of at least one phase wherein each phase has a plurality of full bridge inverters equipped with an independent DC source. This inverter develops a near sinusoidal approximation voltage waveform with only one switching per cycle as the number of levels, M, is increased. The inverter may have either single-phase or multi-phase embodiments connected in either wye or delta configurations.

  15. Multilevel cascade voltage source inverter with seperate DC sources

    DOE Patents [OSTI]

    Peng, Fang Zheng; Lai, Jih-Sheng

    2001-04-03

    A multilevel cascade voltage source inverter having separate DC sources is described herein. This inverter is applicable to high voltage, high power applications such as flexible AC transmission systems (FACTS) including static VAR generation (SVG), power line conditioning, series compensation, phase shifting and voltage balancing and fuel cell and photovoltaic utility interface systems. The M-level inverter consists of at least one phase wherein each phase has a plurality of full bridge inverters equipped with an independent DC source. This inverter develops a near sinusoidal approximation voltage waveform with only one switching per cycle as the number of levels, M, is increased. The inverter may have either single-phase or multi-phase embodiments connected in either wye or delta configurations.

  16. Multilevel cascade voltage source inverter with seperate DC sources

    DOE Patents [OSTI]

    Peng, Fang Zheng (Knoxville, TN); Lai, Jih-Sheng (Blacksburg, VA)

    2002-01-01

    A multilevel cascade voltage source inverter having separate DC sources is described herein. This inverter is applicable to high voltage, high power applications such as flexible AC transmission systems (FACTS) including static VAR generation (SVG), power line conditioning, series compensation, phase shifting and voltage balancing and fuel cell and photovoltaic utility interface systems. The M-level inverter consists of at least one phase wherein each phase has a plurality of full bridge inverters equipped with an independent DC source. This inverter develops a near sinusoidal approximation voltage waveform with only one switching per cycle as the number of levels, M, is increased. The inverter may have either single-phase or multi-phase embodiments connected in either wye or delta configurations.

  17. Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab-initio Studies of Zero-Field Splittings

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

    Stavretis, Shelby E.; Atanasov, Mihail; Podlesnyak, Andrey A.; Hunter, Seth C.; Neese, Frank; Xue, Zi-Ling

    2015-10-02

    Zero-field splitting (ZFS) parameters of nondeuterated metalloporphyrins [Fe(TPP)X] (X = F, Br, I; H2TPP = tetraphenylporphyrin) are determined by inelastic neutron scattering (INS). The ZFS values are D = 4.49(9) cm–1 for tetragonal polycrystalline [Fe(TPP)F], and D = 8.8(2) cm–1, E = 0.1(2) cm–1 and D = 13.4(6) cm–1, E = 0.3(6) cm–1 for monoclinic polycrystalline [Fe(TPP)Br] and [Fe(TPP)I], respectively. Along with our recent report of the ZFS value of D = 6.33(8) cm–1 for tetragonal polycrystalline [Fe(TPP)Cl], these data provide a rare, complete determination of ZFS parameters in a metalloporphyrin halide series. The electronic structure of [Fe(TPP)X] (X =more »F, Cl, Br, I) has been studied by multireference ab initio methods: the complete active space self-consistent field (CASSCF) and the N-electron valence perturbation theory (NEVPT2) with the aim of exploring the origin of the large and positive zero-field splitting D of the 6A1 ground state. D was calculated from wave functions of the electronic multiplets spanned by the d5 configuration of Fe(III) along with spin–orbit coupling accounted for by quasi degenerate perturbation theory. Results reproduce trends of D from inelastic neutron scattering data increasing in the order from F, Cl, Br, to I. A mapping of energy eigenvalues and eigenfunctions of the S = 3/2 excited states on ligand field theory was used to characterize the ?- and ?-antibonding effects decreasing from F to I. This is in agreement with similar results deduced from ab initio calculations on CrX63- complexes and also with the spectrochemical series showing a decrease of the ligand field in the same directions. A correlation is found between the increase of D and decrease of the ?- and ?-antibonding energies e?X (? = ?, ?) in the series from X = F to I. Analysis of this correlation using second-order perturbation theory expressions in terms of angular overlap parameters rationalizes the experimentally deduced trend. Furthermore, D parameters from CASSCF and NEVPT2 results have been calibrated against those from the INS data, yielding a predictive power of these approaches. Methods to improve the quantitative agreement between ab initio calculated and experimental D and spectroscopic transitions for high-spin Fe(III) complexes are proposed.« less

  18. The thermal decomposition of NH{sub 2}OH and subsequent reactions : ab initio transition state theory and reflected shock tube experiments.

    SciTech Connect (OSTI)

    Klippenstein, S. J.; Harding, L. B.; Ruscic, B.; Sivaramakrishnan, R.; Srinivasan, N. K.; Su, M.-C.; Michael, J. V.; Chemical Sciences and Engineering Division; Sonoma State Univ.

    2009-01-01

    Primary and secondary reactions involved in the thermal decomposition of NH{sub 2}OH are studied with a combination of shock tube experiments and transition state theory based theoretical kinetics. This coupled theory and experiment study demonstrates the utility of NH{sub 2}OH as a high temperature source of OH radicals. The reflected shock technique is employed in the determination of OH radical time profiles via multipass electronic absorption spectrometry. O-atoms are searched for with atomic resonance absorption spectrometry. The experiments provide a direct measurement of the rate coefficient, k{sub 1}, for the thermal decomposition of NH{sub 2}OH. Secondary rate measurements are obtained for the NH{sub 2} + OH (5a) and NH{sub 2}OH + OH (6a) abstraction reactions. The experimental data are obtained for temperatures in the range from 1355 to 1889 K and are well represented by the respective rate expressions: log[k/(cm{sup 3} molecule{sup -1} s{sup -1})] = (?10.12 {+-} 0.20) + (?6793 {+-} 317 K/T) (k{sub 1}); log[k/(cm{sup 3} molecule{sup -1} s{sup -1})] = (?10.00 {+-} 0.06) + (?879 {+-} 101 K/T) (k{sub 5a}); log[k/(cm{sup 3} molecule{sup -1} s{sup -1})] = (?9.75 {+-} 0.08) + (?1248 {+-} 123 K/T) (k{sub 6a}). Theoretical predictions are made for these rate coefficients as well for the reactions of NH{sub 2}OH + NH{sub 2}, NH{sub 2}OH + NH, NH + OH, NH{sub 2} + NH{sub 2}, NH{sub 2} + NH, and NH + NH, each of which could be of secondary importance in NH{sub 2}OH thermal decomposition. The theoretical analyses employ a combination of ab initio transition state theory and master equation simulations. Comparisons between theory and experiment are made where possible. Modest adjustments of predicted barrier heights (i.e., by 2 kcal/mol or less) generally yield good agreement between theory and experiment. The rate coefficients obtained here should be of utility in modeling NO{sub x} in various combustion environments.

  19. CANCELLED Microwave Ion Source and Beam Injection for an Accelerator-Driven Neut ron Source

    E-Print Network [OSTI]

    2008-01-01

    Abstract An over-dense microwave driven ion source capableregion. Matching of the microwave power from the waveguideperveance. ION SOURCE Microwave source was selected due to

  20. Research on fusion neutron sources

    SciTech Connect (OSTI)

    Gryaznevich, M. P. [Tokamak Solutions UK, Culham Science Centre, Abingdon, OXON, OX133DB (United Kingdom)

    2012-06-19

    The use of fusion devices as powerful neutron sources has been discussed for decades. Whereas the successful route to a commercial fusion power reactor demands steady state stable operation combined with the high efficiency required to make electricity production economic, the alternative approach to advancing the use of fusion is free of many of complications connected with the requirements for economic power generation and uses the already achieved knowledge of Fusion physics and developed Fusion technologies. 'Fusion for Neutrons' (F4N), has now been re-visited, inspired by recent progress achieved on comparably compact fusion devices, based on the Spherical Tokamak (ST) concept. Freed from the requirement to produce much more electricity than used to drive it, a fusion neutron source could be efficiently used for many commercial applications, and also to support the goal of producing energy by nuclear power. The possibility to use a small or medium size ST as a powerful or intense steady-state fusion neutron source (FNS) is discussed in this paper in comparison with the use of traditional high aspect ratio tokamaks. An overview of various conceptual designs of compact fusion neutron sources based on the ST concept is given and they are compared with a recently proposed Super Compact Fusion Neutron Source (SCFNS), with major radius as low as 0.5 metres but still able to produce several MW of neutrons in a steady-state regime.

  1. High-resolution ab initio three-dimensional x-ray diffraction microscopy

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

    Chapman, Henry N.; Barty, Anton; Marchesini, Stefano; Noy, Aleksandr; Hau-Riege, Stefan P.; Cui, Congwu; Howells, Malcolm R.; Rosen, Rachel; He, Haifeng; Spence, John C. H.; et al

    2006-01-01

    Coherent x-ray diffraction microscopy is a method of imaging nonperiodic isolated objects at resolutions limited, in principle, by only the wavelength and largest scattering angles recorded. We demonstrate x-ray diffraction imaging with high resolution in all three dimensions, as determined by a quantitative analysis of the reconstructed volume images. These images are retrieved from the three-dimensional diffraction data using no a priori knowledge about the shape or composition of the object, which has never before been demonstrated on a nonperiodic object. We also construct two-dimensional images of thick objects with greatly increased depth of focus (without loss of transverse spatialmore »resolution). These methods can be used to image biological and materials science samples at high resolution with x-ray undulator radiation and establishes the techniques to be used in atomic-resolution ultrafast imaging at x-ray free-electron laser sources.« less

  2. 36702 Federal Register / Vol. 61, No. 135 / Friday, July 12, 1996 / Proposed Rules TABLE 2.--PERCENTAGE OF LIGHT TRUCKS SOLD IN THE U.S., EQUIPPED WITH ABS 1--Continued

    E-Print Network [OSTI]

    .--PERCENTAGE OF LIGHT TRUCKS SOLD IN THE U.S., EQUIPPED WITH ABS 1--Continued Model year Import truck % ABS vehicles would increase to $1.75 billion. The cost estimate also projected that all light trucks would, an additional 25 percent of new light trucks or about 1.5 million vehicles, would be involuntarily equipped

  3. Ab initio molecular dynamics of Al irradiation-induced processes during Al{sub 2}O{sub 3} growth

    SciTech Connect (OSTI)

    Music, Denis; Nahif, Farwah; Friederichsen, Niklas; Schneider, Jochen M.; Sarakinos, Kostas

    2011-03-14

    Al bombardment induced structural changes in {alpha}-Al{sub 2}O{sub 3} (R-3c) and {gamma}-Al{sub 2}O{sub 3} (Fd-3m) were studied using ab initio molecular dynamics. Diffusion and irradiation damage occur for both polymorphs in the kinetic energy range from 3.5 to 40 eV. However, for {gamma}-Al{sub 2}O{sub 3}(001) subplantation of impinging Al causes significantly larger irradiation damage and hence larger mobility as compared to {alpha}-Al{sub 2}O{sub 3}. Consequently, fast diffusion along {gamma}-Al{sub 2}O{sub 3}(001) gives rise to preferential {alpha}-Al{sub 2}O{sub 3}(0001) growth, which is consistent with published structure evolution experiments.

  4. Effects of boron-nitride substrates on Stone-Wales defect formation in graphene: An ab initio molecular dynamics study

    SciTech Connect (OSTI)

    Jin, K.; Xiao, H. Y. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Zhang, Y. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Weber, W. J., E-mail: wjweber@utk.edu [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2014-05-19

    Ab initio molecular dynamics simulations are performed to investigate the effects of a boron nitride (BN) substrate on Stone-Wales (SW) defect formation and recovery in graphene. It is found that SW defects can be created by an off-plane recoil atom that interacts with the BN substrate. A mechanism with complete bond breakage for formation of SW defects in suspended graphene is also revealed for recoils at large displacement angles. In addition, further irradiation can result in recovery of the SW defects through a bond rotation mechanism in both graphene and graphene/BN, and the substrate has little effect on the recovery process. This study indicates that the BN substrate enhances the irradiation resistance of graphene.

  5. On the change in Inertial Confinement Fusion Implosions upon using an ab initio multiphase DT equation of state

    E-Print Network [OSTI]

    Caillabet, Laurent; Salin, Gwenaël; Mazevet, Stéphane; Loubeyre, Paul

    2011-01-01

    Improving the description of the equation of state (EoS) of deuterium-tritium (DT) has recently been shown to change significantly the gain of an Inertial Confinement Fusion (ICF) target (Hu et al., PRL 104, 235003 (2010)). We use here an advanced multi-phase equation of state (EoS), based on ab initio calculations, to perform a full optimization of the laser pulse shape with hydrodynamic simulations starting from 19 K in DT ice. The thermonuclear gain is shown to be a robust estimate over possible uncertainties of the EoS. Two different target designs are discussed, for shock ignition and self-ignition. In the first case, the areal density and thermonuclear energy can be recovered by slightly increasing the laser energy. In the second case, a lower in-flight adiabat is needed, leading to a significant delay (3ns) in the shock timing of the implosion.

  6. On the full exploitation of symmetry in periodic (as well as molecular) self-consistent-field ab initio calculations

    SciTech Connect (OSTI)

    Orlando, Roberto Erba, Alessandro; Dovesi, Roberto; De La Pierre, Marco; Zicovich-Wilson, Claudio M.

    2014-09-14

    Use of symmetry can dramatically reduce the computational cost (running time and memory allocation) of self-consistent-field ab initio calculations for molecular and crystalline systems. Crucial for running time is symmetry exploitation in the evaluation of one- and two-electron integrals, diagonalization of the Fock matrix at selected points in reciprocal space, reconstruction of the density matrix. As regards memory allocation, full square matrices (overlap, Fock, and density) in the Atomic Orbital (AO) basis are avoided and a direct transformation from the packed AO to the symmetry adapted crystalline orbital basis is performed, so that the largest matrix to be handled has the size of the largest sub-block in the latter basis. Quantitative examples, referring to the implementation in the CRYSTAL code, are given for high symmetry families of compounds such as carbon fullerenes and nanotubes.

  7. AB initio free energy calculations of the solubility of silica in metallic hydrogen and application to giant planet cores

    SciTech Connect (OSTI)

    González-Cataldo, F. [Grupo de NanoMateriales, Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Wilson, Hugh F.; Militzer, B., E-mail: fgonzalez@lpmd.cl [Department of Earth and Planetary Science, University of California Berkeley, Berkeley, CA 94720 (United States)

    2014-05-20

    By combining density functional molecular dynamics simulations with a thermodynamic integration technique, we determine the free energy of metallic hydrogen and silica, SiO{sub 2}, at megabar pressures and thousands of degrees Kelvin. Our ab initio solubility calculations show that silica dissolves into fluid hydrogen above 5000 K for pressures from 10 and 40 Mbars, which has implications for the evolution of rocky cores in giant gas planets like Jupiter, Saturn, and a substantial fraction of known extrasolar planets. Our findings underline the necessity of considering the erosion and redistribution of core materials in giant planet evolution models, but they also demonstrate that hot metallic hydrogen is a good solvent at megabar pressures, which has implications for high-pressure experiments.

  8. Ab initio density functional theory study of uranium solubility in Gd2Zr2O7 pyrochlore

    E-Print Network [OSTI]

    Chen, Qing-yun; Meng, Chuan-min; Liao, Chang-zhong; Wang, Lie-lin; Xie, Hua; Lv, Hui-yi; Wu, Tao; Ji, Shi-yin; Huang, Yu-zhu

    2015-01-01

    In this study, an ab initio calculation is performed to investigate the uranium solubility in different sites of Gd2Zr2O7 pyrochlore. The Gd2Zr2O7 maintains its pyrochlore structure at low uranium dopant levels, and the lattice constants of Gd2(Zr2-yUy)O7 and (Gd2-yUy)Zr2O7 are generally expressed as being linearly related to the uranium content y. Uranium is found to be a preferable substitute for the B-site gadolinium atoms in cation-disordered Gd2Zr2O7 (where gadolinium and zirconium atoms are swapped) over the A-site gadolinium atoms in ordered Gd2Zr2O7 due to the lower total energy of (Gd2-yZry)(Zr2-yUy)O7. The theoretical findings present a reasonable explanation of recent experiment results.

  9. High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets

    SciTech Connect (OSTI)

    Erba, A., E-mail: alessandro.erba@unito.it; Mahmoud, A.; Dovesi, R. [Dipartimento di Chimica and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Università di Torino, via Giuria 5, IT-10125 Torino (Italy)] [Dipartimento di Chimica and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Università di Torino, via Giuria 5, IT-10125 Torino (Italy); Belmonte, D. [DISTAV, Università di Genova, Corso Europa 26, 16132 Genoa (Italy)] [DISTAV, Università di Genova, Corso Europa 26, 16132 Genoa (Italy)

    2014-03-28

    A computational strategy is devised for the accurate ab initio simulation of elastic properties of crystalline materials under pressure. The proposed scheme, based on the evaluation of the analytical stress tensor and on the automated computation of pressure-dependent elastic stiffness constants, is implemented in the CRYSTAL solid state quantum-chemical program. Elastic constants and related properties (bulk, shear and Young moduli, directional seismic wave velocities, elastic anisotropy index, Poisson's ratio, etc.) can be computed for crystals of any space group of symmetry. We apply such a technique to the study of high-pressure elastic properties of three silicate garnet end-members (namely, pyrope, grossular, and andradite) which are of great geophysical interest, being among the most important rock-forming minerals. The reliability of this theoretical approach is proved by comparing with available experimental measurements. The description of high-pressure properties provided by several equations of state is also critically discussed.

  10. Miniature x-ray source

    DOE Patents [OSTI]

    Trebes, James E. (Livermore, CA); Stone, Gary F. (Livermore, CA); Bell, Perry M. (Tracy, CA); Robinson, Ronald B. (Modesto, CA); Chornenky, Victor I. (Minnetonka, MN)

    2002-01-01

    A miniature x-ray source capable of producing broad spectrum x-ray emission over a wide range of x-ray energies. The miniature x-ray source comprises a compact vacuum tube assembly containing a cathode, an anode, a high voltage feedthru for delivering high voltage to the anode, a getter for maintaining high vacuum, a connection for an initial vacuum pump down and crimp-off, and a high voltage connection for attaching a compact high voltage cable to the high voltage feedthru. At least a portion of the vacuum tube wall is highly x-ray transparent and made, for example, from boron nitride. The compact size and potential for remote operation allows the x-ray source, for example, to be placed adjacent to a material sample undergoing analysis or in proximity to the region to be treated for medical applications.

  11. Miniature x-ray source

    DOE Patents [OSTI]

    Trebes, James E. (Livermore, CA); Bell, Perry M. (Tracy, CA); Robinson, Ronald B. (Modesto, CA)

    2000-01-01

    A miniature x-ray source utilizing a hot filament cathode. The source has a millimeter scale size and is capable of producing broad spectrum x-ray emission over a wide range of x-ray energies. The miniature source consists of a compact vacuum tube assembly containing the hot filament cathode, an anode, a high voltage feedthru for delivering high voltage to the cathode, a getter for maintaining high vacuum, a connector for initial vacuum pump down and crimp-off, and a high voltage connection for attaching a compact high voltage cable to the high voltage feedthru. At least a portion of the vacuum tube wall is fabricated from highly x-ray transparent materials, such as sapphire, diamond, or boron nitride.

  12. Compact portable electric power sources

    SciTech Connect (OSTI)

    Fry, D.N.; Holcomb, D.E.; Munro, J.K.; Oakes, L.C.; Matson, M.J.

    1997-02-01

    This report provides an overview of recent advances in portable electric power source (PEPS) technology and an assessment of emerging PEPS technologies that may meet US Special Operations Command`s (SOCOM) needs in the next 1--2- and 3--5-year time frames. The assessment was performed through a literature search and interviews with experts in various laboratories and companies. Nineteen PEPS technologies were reviewed and characterized as (1) PEPSs that meet SOCOM requirements; (2) PEPSs that could fulfill requirements for special field conditions and locations; (3) potentially high-payoff sources that require additional R and D; and (4) sources unlikely to meet present SOCOM requirements. 6 figs., 10 tabs.

  13. Dithering Strategies and Point-Source Photometry

    E-Print Network [OSTI]

    Samsing, Johan

    2011-01-01

    Strategies and Point-Source Photometry Johan Samsing DARK-The accuracy in the photometry of a point source depends onobjects in a single source photometry (Lauer 1999a) and the

  14. EPA Source Reduction Assistance Grant Program

    Broader source: Energy.gov [DOE]

    The U.S. Environmental Protection Agency (EPA) is accepting applications for the Source Reduction Assistance Grant Program to support pollution prevention/source reduction and/or resource conservation projects that reduce or eliminate pollution at the source.

  15. MODELING, SIMULATION AND OPTIMIZATION OF GROUND SOURCE

    E-Print Network [OSTI]

    MODELING, SIMULATION AND OPTIMIZATION OF GROUND SOURCE HEAT PUMP SYSTEMS By MUHAMMAD HAIDER KHAN AND OPTIMIZATION OF GROUND SOURCE HEAT PUMP SYSTEMS Thesis Approved..................................................................................................................... 1 1.1 Overview of Ground Source Heat Pump Systems.............................................. 1 1

  16. 4th Generation ECR Ion Sources

    E-Print Network [OSTI]

    Lyneis, Claude M.

    2010-01-01

    4th Generation ECR Ion Sources Claude M Lyneis, D. Leitner,to developing a 4 th generation ECR ion source with an RFover current 3 rd generation ECR ion sources, which operate

  17. Advanced Light Source Activity Report 2005

    E-Print Network [OSTI]

    Tamura Ed., Lori S.

    2010-01-01

    upgrade on the Advanced Light Source," Nucl. Instrum. Meth.n photoemission at the Advanced Light Source," Radiât. Phys.high-pressure studies at the Advanced Light Source w i t h a

  18. A global sourcing strategy for durable tooling

    E-Print Network [OSTI]

    Vasovski, Steven

    2006-01-01

    Competitive pressures in manufacturing industries have led to an increased utilization of strategic sourcing initiatives: among them is low cost sourcing. While low cost sourcing has been used extensively for direct ...

  19. SOURCE PHENOMENOLOGY EXPERIMENTS IN ARIZONA

    SciTech Connect (OSTI)

    Jessie L. Bonner; Brian Stump; Mark Leidig; Heather Hooper; Xiaoning (David) Yang; Rongmao Zhou; Tae Sung Kim; William R. Walter; Aaron Velasco; Chris Hayward; Diane Baker; C. L. Edwards; Steven Harder; Travis Glenn; Cleat Zeiler; James Britton; James F. Lewkowicz

    2005-09-30

    The Arizona Source Phenomenology Experiments (SPE) have resulted in an important dataset for the nuclear monitoring community. The 19 dedicated single-fired explosions and multiple delay-fired mining explosions were recorded by one of the most densely instrumented accelerometer and seismometer arrays ever fielded, and the data have already proven useful in quantifying confinement and excitation effects for the sources. It is very interesting to note that we have observed differences in the phenomenology of these two series of explosions resulting from the differences between the relatively slow (limestone) and fast (granodiorite) media. We observed differences at the two SPE sites in the way the rock failed during the explosions, how the S-waves were generated, and the amplitude behavior as a function of confinement. Our consortium's goal is to use the synergy of the multiple datasets collected during this experiment to unravel the phenomenological differences between the two emplacement media. The data suggest that the main difference between single-fired chemical and delay-fired mining explosion seismograms at regional distances is the increased surface wave energy for the latter source type. The effect of the delay-firing is to decrease the high-frequency P-wave amplitudes while increasing the surface wave energy because of the longer source duration and spall components. The results suggest that the single-fired explosions are surrogates for nuclear explosions in higher frequency bands (e.g., 6-8 Hz Pg/Lg discriminants). We have shown that the SPE shots, together with the mining explosions, are efficient sources of S-wave energy, and our next research stage is to postulate the possible sources contributing to the shear-wave energy.

  20. Tikal obsidian: sources and typology

    SciTech Connect (OSTI)

    Moholy-Nagy, H.; Asaro, F.; Stross, F.H.

    1984-01-01

    The obsidian industry of Classic period Tikal, Guatemala, is discussed with regard to geological source determinations and behavioral typology. The potential of these two approaches for cultural reconstruction is greatly extended when they can supplement each other. Recent source determinations of obsidian artifacts from Tikal indicate (1) a behavioral link between locally-produced prismatic blades of Highland Guatemalan stone and ceremonial incised obsidians and eccentrics, and (2) a Central Mexican origin for a seemingly large portion of Tikal's obsidian projectile points and knives. 25 references, 3 figures, 5 tables.